#METABOLOMICS WORKBENCH qyj4347_20250810_210003 DATATRACK_ID:6267 STUDY_ID:ST004153 ANALYSIS_ID:AN006895 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 Waters Acquity I-Class CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 40% Acetonitrile/60% methanol; 0.1% formic acid CH:FLOW_GRADIENT 0min 1% B; 1min 30% B; 2.5min 60% B; 6.5min 90% B; 8.5min 100% B; 10.7min 100% CH:FLOW_GRADIENT B; 10.8min 1% B; 13min 1% B CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Water-VION IMS QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE 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 Mirificin 4.07813e-08 5817.930516 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2578.599751 1724.312801 4.07813e-08 46929.7515 46564.52802 43090.88283 48025.86322 46829.75613 33766.57396 28958.03977 32873.61085 53794.81925 4.07813e-08 4.07813e-08 165.8808799 156.2599067 4.07813e-08 4.07813e-08 270.554805 4.07813e-08 4.07813e-08 34672.03509 35495.03212 44766.55705 35305.98965 41286.06722 46458.3738 35937.42835 37323.22494 41624.1032 5599.095693 4.07813e-08 140.9893294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 256.7564823 2312.558001 37209.8105 4.07813e-08 30851.53136 297.4918198 Nicotiflorin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 72672.85011 46678.98003 3103.288737 47630.13691 1721.836276 44525.98259 13.45857034 47874.20236 12716.00042 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11267.62168 63509.0995 1157.916029 37275.77683 48479.40937 20208.65508 23001.27866 6815.870054 3083.888216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37168.09909 4.07813e-08 41299.44921 4.07813e-08 Uridine 86758.03161 17794.94766 77730.35379 109040.7254 17629.39904 72987.75324 61226.10484 38893.04975 63942.99693 40432.9651 41275.87483 7980.01178 41201.33678 24138.23192 21063.76438 35158.4834 16145.35732 18142.75398 147960.9557 68243.32625 151735.6241 121635.1482 116497.9178 149958.0897 109345.9701 11495.49371 14292.21097 16234.87823 17844.36156 50373.32617 11463.7205 10688.97716 19798.13295 38478.79506 9871.751531 16729.9479 80619.47453 102480.6724 88480.68493 216302.4431 98757.01846 60979.60031 122201.7937 11493.74047 14561.98708 98628.03642 93168.00953 117926.3403 37233.95812 113023.7958 19850.22118 128362.7687 39609.77469 22867.69066 3,4,5-trihydroxy-6-{[2-(3-hydroxyphenyl)acetyl]oxy}oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 276.6914323 359.9317928 4.07813e-08 4.82367574 4.07813e-08 4.07813e-08 14934.20077 62979.80798 1070.272049 7470.503689 2764.366577 23881.33418 16072.51436 151849.8348 394.75656 4.07813e-08 29.23894514 8.678760764 4.07813e-08 4.07813e-08 10.7863584 4.07813e-08 0.244423842 4.07813e-08 86768.54221 2279.71404 98454.12305 11589.25763 120494.3643 45852.48501 19227.82638 86808.12439 37704.53091 4.07813e-08 3.080900324 4.07813e-08 15.08519971 11.81799025 6.606251565 59.65510981 4.07813e-08 19.12215003 11.7273235 4.07813e-08 3.58305339 7.697130959 4.07813e-08 41360.52639 4.07813e-08 60261.6055 4.07813e-08 ferulic acid 1007.914895 1740.522514 964.7190084 1250.889012 1514.099282 958.8058272 1492.307911 1335.29246 1064.027379 5947.569644 8778.832509 3594.497214 8095.946566 5795.370213 2570.280315 1733.31484 2493.097139 3810.619579 332.7478572 435.3146252 328.2452526 516.1193665 303.1494609 314.3073562 421.4912149 232.0351254 504.8689869 4415.751105 11635.6835 4877.413423 6278.444342 12154.66659 6377.024671 8827.004712 6378.221436 9147.72628 683.3093133 325.4926374 752.8867778 613.4043314 584.1954604 548.0212439 140.4557681 241.650605 440.8964245 217.5779021 184.5634229 461.9294913 979.1210383 874.6639755 7300.030339 715.3560217 5362.468188 1171.710147 2,6-Dihydroxybenzoic acid 24838.05113 28781.98798 26108.37519 19736.54652 13710.45269 19615.97969 29937.76688 38555.31761 26753.1487 17884.50141 2470.789193 1418.796899 26026.19433 1213.909251 3610.650649 1917.142562 5401.083374 11068.54696 20468.09978 16706.77878 15511.51237 21698.12998 11786.04566 18225.12515 20153.44892 14528.56598 13285.52109 3693.599671 15086.23876 1688.073292 24666.81227 10624.1868 9717.058188 13748.15588 3661.670989 1574.010538 33830.93026 22742.82015 30383.92903 14010.96704 15114.81557 10727.98659 19122.418 16812.47459 10652.43794 11978.60695 13096.13236 30476.90072 34899.14149 32345.37077 5553.417245 28872.81956 5162.98377 30005.10332 1-O-(2-methoxy-4Z-hexadecenyl)-sn-glycero-3-phosphocholine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 650.2982003 4.07813e-08 707.3110362 692.3574074 553427.4447 768022.2439 35986.91384 251241.0454 1581627.943 1684.986054 1151419.178 749662.2771 571658.8091 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8874.216221 170538.6058 111789.043 4.07813e-08 466.1045666 4.07813e-08 21630.56112 1050530.931 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 630.7303228 4.07813e-08 556049.3924 4.07813e-08 3-METHYLORSELLINIC ACID 32624.39926 33502.88857 18572.3143 61206.66571 21793.70075 11549.86775 23061.08389 28946.55832 8809.48974 21986.86303 2783.126281 43165.42521 23739.35644 81252.08271 20667.78344 8205.759468 8133.538862 71986.0604 47317.42869 21255.30096 7953.416512 49011.74201 1733.683227 1298.496772 66682.40236 45603.1898 2104.711719 2595.94012 29020.4231 15599.5424 25393.30305 6381.576747 4599.834489 23815.88493 5545.49424 77075.89123 159158.1547 26198.63141 12778.41178 2017.508593 23995.942 13749.0462 1365.523144 18180.63333 19882.43234 847.3119612 3835.543434 27289.60108 29448.29278 47924.61662 32475.2557 11350.71842 6830.020946 6771.610395 Guanosine 19631.85075 13432.56622 16318.81222 21564.32138 8202.549182 21785.27614 15845.9138 18421.83233 35372.51225 9194.310566 7527.528703 7957.575951 8537.897121 7164.607688 5461.289456 6011.524287 3594.145558 4996.561704 46663.05602 21973.19169 26945.285 21144.48914 32592.60424 48115.72726 27185.69392 4951.337394 8230.133046 4005.586699 5706.164804 5485.01187 6457.400434 3659.417975 5117.659147 9457.453283 4782.417587 7609.596641 17222.9719 24795.14881 22783.16219 90830.91338 15774.09206 17419.64341 20247.22084 4251.424932 3478.423311 19227.92415 17041.42813 22264.06879 16483.25669 18775.96401 5294.590818 19283.88233 6275.400444 8129.244609 3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}oxane-2-carboxylic acid 4.07813e-08 0.201816872 4.07813e-08 83.36514153 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 103.2023028 1368.288737 2502.092142 1680.537994 829.9340433 2136.883825 3175.135781 3609.725993 6417.843416 4.07813e-08 0.171724349 0.851189743 66.0860341 3.187377503 4.07813e-08 4.07813e-08 47.35241284 41.99725867 5.614548508 5717.792956 104.60591 11934.44102 1057.074757 5322.910927 3732.267065 2471.605027 3350.296273 11926.28362 65.64974007000001 0.11135911 4.07813e-08 84.54572332 0.101270332 2.753327494 1.106230346 41.93593587 33.99860774 0.799579384 4.07813e-08 8.20762e-07 68.37103982 0.996020559 5033.501254 1.635443996 1829.20267 566.9033053 6-({3,5-dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 29198.5827 80576.6601 29070.77869 75600.65061 42157.92513 36630.71364 54719.43114 21304.76482 27185.20129 106977.3233 132576.5224 178733.7256 115390.851 190321.3914 91270.20783 162113.6171 36018.75973 42150.36172 18556.7393 12164.66143 23088.80222 19199.65138 23310.4791 15986.71013 26384.66234 29965.66758 30333.36557 79896.62807 100194.3433 154724.5496 81990.87062 127409.6392 154358.8647 88655.18897 85922.84073 143308.9122 68463.76759 32909.25035 23826.16509 27956.93496 17555.36103 17329.17631 17319.21941 32971.97855 32496.94107 22954.4247 21996.73777 26009.55894 30451.94555 52544.71078 90689.29841 26754.61598 112858.5109 39168.23342 Inosine 28059.01562 17029.25032 48100.16253 79467.37855 12749.16959 88595.93676 44326.7633 28634.15336 42375.87737 11274.82417 6417.537726 4253.096868 5244.800736 4256.212316 6070.047508 4899.112321 3213.096268 4321.17316 107405.8697 57619.59318 90467.86121 49128.57468 234154.658 303934.961 140694.772 4703.141815 17833.98419 4274.748705 15437.71028 10974.41043 12273.63504 5773.344179 5665.572043 37300.86123 5381.097231 14015.71096 24880.47174 101322.9664 68573.1605 1035688.581 29262.31294 83767.70541 259075.9838 6223.555627 8006.923433 57450.98336 21207.16531 55264.71527 25852.90904 65912.19291 7089.953018 68267.52755 11180.43008 12316.2976 Xanthurenic acid 15229.31707 16612.80166 18542.67256 12374.54613 16064.07883 16177.11301 20842.07005 7447.507034 16981.38367 542.7317 789.2225711 578.8990202 694.0534873 1879.2107 1401.0274 1060.568739 1086.321804 1168.82516 8096.824818 38196.04519 23157.19791 12480.36058 13813.36083 30547.84429 22438.57226 19567.15548 52569.35819 581.1224353 827.0592017 1957.884823 1893.936146 1205.862005 1129.815456 1362.348325 986.0396939 705.4216703 10281.82936 31811.23809 13785.74267 28042.24941 13360.40918 8301.52007 27383.0413 20629.19205 64015.78586 27432.62834 25875.83499 19783.51499 11105.94434 11269.62779 803.6820326 15669.22973 863.4884361 22079.3005 N-Acetylleucine 4675.891191 8988.93944 3605.781377 4897.577058 3092.825165 3176.200969 6721.674456 6234.128502 4349.546813 21654.87457 23541.52147 40172.01385 22369.39113 28853.82438 21552.09971 22023.44849 13364.44595 22653.34933 2018.632284 1781.440652 3909.109549 2627.402009 4047.057087 2834.828283 5173.079832 2620.049333 2138.922123 25517.43297 25790.08079 31750.40083 17860.76831 27479.99453 35346.01825 34966.58616 17620.02898 29162.82471 13011.20814 2178.626552 2605.426834 2272.193853 2068.124826 2482.76289 6468.447544 3126.516642 1983.940936 4987.55013 2347.297437 5532.841928 7433.108444 12745.85595 31110.0139 7117.885128 23444.52583 4883.710035 N-Acetyl-D-phenylalanine 453.9534535 3890.74016 661.2743844 203.4312836 258.4816083 437.0696642 2121.814274 1751.707834 711.4699995 27546.53158 19366.3636 8421.323678 26514.41985 5146.556202 16365.35069 3799.508373 14698.1312 28569.64002 206.9113026 4.07813e-08 352.0457843 302.783785 584.3365107 161.2936642 29.58505014 172.6290886 477.433177 27178.15712 23886.46458 5792.056496 17763.4406 26507.53335 13732.24081 35234.21304 5275.973633 7160.640862 495.2292609 249.8168968 45.81882505 226.6878761 352.0896602 4.07813e-08 338.093722 426.9046089 51.16809951 596.8515346 354.7652779 513.2028309 1490.148441 4625.216832 36639.76032 881.9815277 22862.01112 1555.383333 Baicalin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6080.626294 247804.2719 5658.482578 2878.690756 10008.9205 8702.449112 213080.3278 510342.0785 690.4045668 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 552412.9913 1293.554258 338659.3272 5605.045659 462724.4036 373483.31 11290.80775 497739.4961 19344.4387 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36.33324347 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17351.01959 4.07813e-08 48908.22565 4.07813e-08 7-Ketodeoxycholic acid 1476722.079 1551589.63 1734676.158 477139.9212 386881.8606 1880862.655 454932.3469 2780178.794 3075125.237 191019.4369 71715.68708 832111.6203 181142.3015 1586146.114 1767199.844 491122.366 5242778.52 810615.2842 3120240.141 1555628.051 2085838.966 1973936.639 532929.7456 224146.4232 395491.5498 110018.6655 141182.4246 941660.9793 846599.9825 196402.6773 2150998.753 1365907.75 439532.1735 1388279.712 2156755.26 468969.8024 1953081.442 991347.546 2826235.924 1585551.42 757076.494 1336171.058 225406.9299 96399.81059 153961.6936 6475322.071 10183865.53 2972165.727 3571591.038 1267673.237 1006352.282 3451408.503 197854.8151 724551.9322 Xanthosine 25192.13363 2873.916649 42766.13879 32244.20926 6260.171718 31155.23398 24551.98968 13357.08187 18178.09996 3952.584715 2181.376539 2293.996556 4184.599137 1291.966463 1747.675682 155.3706574 961.449905 3592.649945 39012.52043 29387.90612 17967.52071 9994.723417 35240.68506 90992.11301 38305.80408 2692.542606 3753.374093 2708.788584 4573.537224 3508.879144 4709.21761 5254.852824 2079.188565 5285.450628 886.778409 2676.977189 9820.606871 47867.64618 41071.72272 158655.9706 22362.34344 29122.9258 127893.5623 2492.006692 2355.982421 62644.16566 13478.17252 50912.668 12136.77611 30628.19299 3708.554497 50407.62722 6125.623514 7169.509325 3,4,5-trihydroxy-6-{[4-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methylidenebutan-2-yl]oxy}oxane-2-carboxylic acid 1776.349137 6361.33353 1895.836307 1276.753484 1435.951376 1796.706676 3438.160362 2589.158224 1503.74996 15456.22341 15446.53725 27622.93976 16699.91411 33261.45771 21664.88413 17539.40982 9962.961263 25668.66393 924.4061551 896.183059 703.4548031 920.9601735 1087.321211 974.3624352 1188.491318 1046.089992 1004.124726 38111.55682 39479.78834 24100.18501 31735.79483 56755.00162 44061.59912 43745.23218 21695.60283 25543.16236 2479.477736 1083.566682 981.1689116 1526.524661 779.5859418 535.0649601 1226.961519 1138.054143 2115.870927 1507.630086 1521.735506 1127.242951 4038.688783 4415.775344 49997.52016 2233.713483 28798.11039 5126.185391 Caffeic acid 3132.560584 11961.50209 3597.757366 7779.140457 5797.802362 5029.579664 11909.7012 15246.33757 4789.5598 198.9838947 186.264881 235.8098051 201.4035905 259.5844626 128.4747168 140.042045 171.4614546 624.9669211 743.0438246 839.1833933 1504.318888 2961.993664 1560.741627 575.0583797 1505.780208 1098.923945 2339.169911 1087.153685 220.5897879 402.8994823 270.9454143 353.3769193 53.12784052 268.9978615 225.6461327 314.6071133 6267.530959 1592.403137 1959.411912 1730.300319 1675.933102 2285.478435 530.5873711 1450.75635 4860.551213 811.503136 469.6715103 1897.576492 5499.361488 8122.13784 50.91101868 3560.104462 251.0101993 5747.772484 Hexadecanedioic acid 13313.11091 17525.26386 21525.77461 21892.75154 17751.60872 87506.53324 23727.50705 20697.51163 32176.30012 5744.996378 2688.659568 4324.001241 5384.192442 3350.079892 2013.733292 6051.637262 4177.568136 7277.099082 23706.82623 46454.61532 25721.69929 17457.1984 38645.20819 137849.1361 29687.14268 18661.18921 26393.03326 2975.495539 5270.020221 3649.674262 4173.881016 2648.469626 4540.787703 2433.902955 4393.318105 4181.495212 5767.189935 29052.73643 10845.87023 30340.25047 26906.87542 19508.75403 176672.7736 23679.40519 17163.52535 55914.17586 29442.48711 38006.22372 12667.22775 6962.08622 1963.688562 22302.1821 8854.250476 23090.36848 N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 170.0513807 3902.392624 4.07813e-08 157.6546059 4.07813e-08 25.10531236 455.2638062 1543.991282 1187.26628 63297.55031 59162.16052 43083.79039 63428.05791 32582.8099 39816.23573 31178.17454 32149.9436 64912.12702 155.4813499 135.8511818 137.4223781 4.07813e-08 83.03282829 111.4534439 63.75549651 62.57598246 108.7753686 42495.11956 46396.55481 38984.88929 40383.94989 46025.8995 34017.89096 51734.60332 24994.40341 38411.98426 219.8273544 130.6420627 44.14559735 26.46772894 32.86338455 34.05312819 4.07813e-08 34.13153383 171.7613258 31.87780249 21.67571171 48.42903261 1016.757835 4059.641294 53577.28413 23.02476824 45376.19673 568.1175454 Licoagroside B 93.32771487 25.17664491 70.30292031 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 70.25489497 56186.42259 38262.20463 21551.64207 51035.96533 13612.20291 27285.41723 10876.83706 18711.40669 26297.94051 145.9167614 71.49864383 177.2494076 267.6357169 174.3877056 4.07813e-08 380.7097723 55.30184916 162.6734529 56721.07811 42379.1212 7681.381823 42655.28514 58711.45207 21781.50863 63576.14643 11649.57875 16364.48167 392.2296929 4.07813e-08 38.08034612 46.79512459 292.1484913 51.67413559 43.13960909 146.9324826 4.07813e-08 104.9896332 4.07813e-08 1.052833416 122.5098237 4.07813e-08 63500.50083 4.07813e-08 48026.96626 4.07813e-08 Salicylic acid 30996.23161 25237.93446 24719.64312 15860.91104 13134.69472 20243.13182 25114.18352 34753.74884 17667.66296 15558.14805 7117.377512 7731.74305 19649.38749 8135.337628 6611.283621 8536.008795 5394.983074 13128.69485 12046.4385 10841.79987 10870.07701 13592.43257 9345.944379 11633.19351 12873.84784 11235.80062 12355.05762 5715.539521 14124.67096 7733.581256 24249.80763 13040.4521 11829.64787 11024.24849 8000.077375 9265.089316 21650.75835 19725.35543 20319.10436 10100.55617 9633.925011 10026.53725 11740.59417 12513.38332 10059.77083 10949.06093 13061.43397 19287.7759 23549.87793 19579.64402 7265.175769 19914.53073 9340.153946 23876.87611 3,7-Dihydroxy-12-oxocholanoic acid 454332.0825 530478.869 480495.453 321733.9454 334956.6192 562612.8121 316796.7689 511382.6148 729330.4925 167387.2925 29711.22601 513656.7315 187254.128 1362286.052 823503.7047 167801.2965 313071.2422 3065107.573 791462.1829 527067.4463 541995.0627 493983.5855 519754.277 341506.0083 316578.294 164841.2403 344167.987 75363.48041 306970.1146 43091.55707 260971.2758 159962.3273 56778.06277 179740.4934 83321.09719 133311.2178 273962.7726 429997.5851 472907.8244 702202.1772 356373.1671 527463.0693 304032.156 155037.6807 241411.8148 1199534.965 1078940.239 513536.1188 789839.7524 400162.8172 479146.5513 561668.0756 50002.43669 564369.4424 Aspartyl-Tyrosine 250.2228246 835.1680066 344.5972663 178.5895212 4.07813e-08 207.6189112 344.9622938 525.9176687 985.3727168 16333.45416 8015.046901 8007.199259 17390.13502 7277.758867 8486.977967 5312.732928 7337.296614 15902.8755 398.6297344 495.3894315 212.4426891 413.701288 925.2502732 879.7728366 555.9309297 626.1540813 618.6949751 8419.464211 10017.26091 8973.930142 9361.483372 8904.107139 4411.900357 10441.17679 4969.647862 9112.035914 133.0225435 248.4172077 322.0266416 1166.180004 747.1382456 779.6093839 1807.019983 388.5626106 367.5980408 1221.574935 114.2783723 430.1041934 718.3663438 592.2845733 10851.25644 578.8818514 4104.477172 545.1598767 6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 673.6742565 297.4019936 722.5520635 877.5716016 1573.809805 1155.085093 961.0133274 871.2791071 449.9323681 2510.594988 74684.23757 2577.466568 2097.664932 1803.285451 961.0266159 27551.82631 75126.22432 1359.007657 667.877503 3285.519586 454.9586055 2282.381062 3674.207415 3923.516727 4333.672485 1283.531916 2282.42507 50204.08891 1284.462404 90761.92533 1902.635902 57020.49264 51582.83816 1715.566145 57852.04591 7078.138511 501.493709 1565.968695 332.2771417 1849.95674 2028.32193 3305.183515 4277.939397 2042.433213 3948.897446 1369.378442 1618.411854 884.0688031 381.0720841 163.4012789 1815.610553 1011.661738 37457.52605 2907.473166 N-lactoyl-Leucine 8888.011604 15058.11896 9521.299755 15845.09646 13395.32664 9852.319948 14032.86659 21553.87946 14869.87798 29728.74059 23892.43762 40633.53816 29882.71376 31943.89675 43942.17752 21834.61398 8840.521153 15968.02822 10888.28953 5148.434106 8067.681103 8430.235377 4030.089208 4403.730257 9378.953637 5964.830523 5755.957862 52709.6328 36565.08472 26829.9495 36672.40908 50732.51531 45442.13613 46396.4587 25309.52078 28651.41829 14264.03926 9174.199704 9528.158829 9480.283187 14094.65228 8152.469587 10184.45073 8625.713382 7490.269019 11243.30064 10707.45727 18709.57407 25129.54596 28688.42975 42677.7159 29959.71222 35530.08054 24368.31555 Norrubrofusarin 6-beta-gentiobioside 3325.260384 127002.1348 6618.479344 36187.78231 5465.973326 22587.78176 95740.38596 60533.70423 34469.298 1043866.672 922153.3474 835702.234 1031975.809 962211.3725 565076.9532 600146.7862 617759.3425 888731.5152 163.6328988 156.7922035 431.2490473 22543.98891 4.07813e-08 4.07813e-08 33956.14398 515.3084705 152.6719292 487341.3175 580985.4979 840671.4862 508087.6668 619248.1972 744141.108 619141.1283 635441.3031 817010.1897 164489.196 2747.115043 301.1058585 4.07813e-08 127.7556965 4.07813e-08 4.07813e-08 4.07813e-08 420.2130403 131.5436658 5995.141032 7228.311225 43971.27297 81559.05554 584728.6337 23133.06614 492171.3399 39690.38184 2''-O-Acetylisoorientin 4.07813e-08 509.0885038 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 169.1754271 691.7129858 4.07813e-08 71874.35649 63320.57278 65507.09754 77057.72668 61438.71816 63362.867 43397.31689 44041.26628 66076.71974 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 72984.8971 65669.42095 81124.60037 51144.27983 100955.8105 79458.36884 71241.23219 41496.66567 81997.40372 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 443.4761189 1775.610639 94181.27419 193.5294146 71788.1839 1441.291717 Narcissin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46261.47524 31823.48675 2884.334106 25942.42583 2162.832292 55781.27764 1151.2928 44409.62863 36117.36316 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 8019.503128 46304.09033 2346.069519 29268.95785 40848.44112 19003.19016 12642.81538 8389.973888 5837.941774 4.07813e-08 4.07813e-08 4.07813e-08 75.88989833 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25876.51907 4.07813e-08 36281.32726 4.07813e-08 gamma-Glutamyltyrosine 7011.845415 19545.99336 4923.197815 8272.698331 4125.829816 4140.640962 10630.68728 16449.39585 15808.46361 1703.870685 2170.929853 3123.31949 2112.718807 1539.454048 1980.520974 1301.624674 1677.975237 1668.935229 1397.539566 1956.968637 3431.873123 817.1435234 1217.253761 992.614989 1507.659215 1253.874943 948.3559178 1881.339753 1705.830796 857.150451 1768.724993 1212.789304 950.0273132 1441.924189 1488.363847 1203.53818 2015.937095 2924.00316 2675.821372 2778.942152 1014.395432 1533.659213 967.6175822 1415.3597 308.6535469 1109.827535 5838.095872 2852.908767 8807.506032 13396.18439 1021.66783 3536.271423 1898.745074 2436.238566 Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside 4.07813e-08 3091.48207 4.07813e-08 428.7628565 4.07813e-08 4.07813e-08 1517.405862 2275.329422 1757.208068 53537.79856 61651.55401 53280.29814 37822.98221 81234.28817 46273.33805 62370.63187 24014.93164 80794.20445 4.07813e-08 4.07813e-08 4.07813e-08 2089.722931 4.07813e-08 4.07813e-08 1549.041597 4.07813e-08 4.07813e-08 26401.66152 14942.08322 53596.83633 21004.87543 18385.72163 25773.19301 6105.464371 36678.51164 60070.49324 8677.495005 321.7042809 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1379.94538 3773.700686 1873.20874 545.5935952 24868.11544 293.6121503 gibberellin A2 26190.94819 21914.35844 41168.16722 54046.83427 75367.21729 47360.09475 33996.26805 23580.84087 24738.36227 2137.71207 1386.441537 2120.145794 1956.37232 3616.339467 668.9596876 804.5709294 4140.979911 7103.751179 46798.59655 66666.28045 40066.96708 38916.06099 92977.55318 61218.28883 60320.38461 43941.27567 70016.26233 796.7534651 3560.65846 3798.856832 2012.290941 4941.464661 2916.697229 2549.910816 2096.411993 7747.786019 19910.05685 42395.59283 16368.19432 55018.20219 45808.19434 70293.38382 54496.29125 45429.00204 64000.08125 50612.74262 42232.96779 41693.67675 35978.23089 35271.19078 4841.222378 43069.22302 2633.185568 48214.83111 Kynurenic acid 63985.59754 40857.90734 38410.35738 36639.54574 53364.24376 30104.364 28473.52337 43998.08854 31363.46116 1615.574496 1843.782874 577.4910955 2178.150856 589.5446098 469.8333116 148.4598592 503.2690933 2003.500435 82708.68596 59385.4509 54317.05038 70795.97343 87188.23315 7839.468339 58981.30246 84021.23143 28131.47959 699.9769595 633.9084445 416.5333143 1156.930695 488.0433717 1541.880742 450.3338187 588.1366061 424.0744746 46124.78123 43778.83629 51085.48592 28978.65997 72113.12601 84164.10578 8500.476262 72137.44836 119745.681 3569.596777 20941.52626 30644.52514 50505.75741 28909.18255 1223.568332 29527.59782 803.1515865 20987.8786 L-L-Homoglutathione 4.07813e-08 2549.47147 4.07813e-08 4.07813e-08 0.259129565 160.0435827 76.72242764 1303.881248 2310.566465 48919.45076 41689.05686 28144.19787 53139.20681 26800.44804 33779.93117 20646.68146 26355.09148 43205.51097 0.083412197 0.682873157 579.6183192 4.07813e-08 71.46623581 4.07813e-08 17.05772471 1173.240513 563.488118 35688.90558 39333.88321 30891.31513 30950.41752 43187.20157 30339.61939 38984.54123 15501.07652 31794.0174 174.8470935 21.62813844 209.2634028 325.9669787 1.478469974 20.73309722 4.07813e-08 1020.735674 1709.532631 330.0348707 483.1373027 69.93242175 189.4962723 2670.065335 43317.26268 456.7173199 36860.87465 622.3990353 L-Tryptophan 3214.916729 3136.10137 1627.218143 1901.432704 47.10309441 791.0946177 1806.303801 3367.121828 6299.155479 6367.372165 4739.471726 9185.908886 6849.480853 5856.776751 11108.08177 9287.150031 10479.99647 29346.69791 693.6691781 402.0225032 216.2960437 265.9364475 4.07813e-08 412.1726112 622.1735495 696.6689834 379.7161552 29201.92052 10352.82114 10623.93083 18674.1419 10398.26881 15132.87598 13878.30346 11427.85795 8898.31169 4960.751268 430.7203631 334.0186123 407.0368799 339.2240175 171.365852 446.0447387 905.9146939 201.6996632 91.64605589 2006.078742 1789.691248 2117.201873 2557.913394 5931.189865 2044.361819 14784.14332 827.7333935 Lepidimoic acid 203933.4891 205849.5509 145613.2756 188832.3743 152391.3134 80179.00596 256874.5044 166010.823 176435.1872 127137.1734 133120.7533 126793.2953 131070.6926 180568.5868 118370.0969 181582.691 132609.019 183881.9209 59898.4519 52067.33545 61863.1439 57488.92151 66236.50118 61145.99012 72246.55221 115375.016 62801.64885 113052.5981 110194.6076 198764.5072 108415.8029 129828.3273 157964.4116 99241.87135 121711.765 165175.7902 175724.1469 85798.10126 73847.16484 64319.47965 59362.61138 73412.06541 57773.81785 130959.9188 157059.7183 46229.07901 74394.43723 94861.70435 151448.4673 216449.7027 121945.8636 108363.8035 110143.5221 97577.98979 3,4,5-trihydroxy-6-{[4-hydroxy-5-(3-methoxyphenyl)pentanoyl]oxy}oxane-2-carboxylic acid 4.07813e-08 2274.420901 85.54355194 4.07813e-08 4.07813e-08 4.07813e-08 508.2557758 557.6315649 4.07813e-08 68532.77904 54506.06699 31608.94998 62370.09915 27598.24848 45542.69104 16583.14497 10438.61137 10685.56252 4.07813e-08 18.80695607 4.07813e-08 75.93512284 165.610698 4.07813e-08 137.1311516 180.1596007 0.217743653 51918.35062 56242.68254 23059.62017 46894.43163 61817.15007 39735.84073 74463.16631 18665.10457 25286.01911 4.07813e-08 71.82392346 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 94.46933243 69.43982433 4.07813e-08 4.07813e-08 83.15299808 4.07813e-08 913.4236903 1676.756237 63476.50904 697.7966396 53551.55669 4363.107008 1-Octen-3-yl primeveroside 1098.832797 333.14868 4.07813e-08 155.7110571 855.5245592 4.07813e-08 1603.594182 324.649748 20.66640066 55606.66023 39872.52754 49827.92965 52916.06439 33713.46547 41479.56337 20199.18061 22408.28608 57474.16549 37.60186819 318.0235382 137.0308614 129.9364585 277.0570983 4.07813e-08 37.50857804 112.3725414 196.0553227 67381.91263 69583.61101 26214.89242 54355.96261 44883.97175 65208.77473 87969.32142 24736.41122 35764.11629 4.07813e-08 4.07813e-08 30.05562238 6.270388051 115.3312512 4.07813e-08 470.4278836 54.13291075 226.504302 123.203678 64.57142158 87.57316315 4.07813e-08 4.07813e-08 78429.00753 4.07813e-08 64565.66023 314.1324833 O-Desmethyl-lacosamide 7078.383402 11765.35959 3918.443949 7459.140159 3367.949245 3728.779097 8361.583122 10796.32759 7994.663 2567.313569 2550.783569 2566.96267 3456.709601 1593.492127 2239.601278 1930.535745 2500.635277 753.3430028 1511.065196 2387.227917 4624.627708 1545.388944 1660.244533 1428.594592 2083.836298 1507.167973 1761.620117 3357.135259 1250.489816 665.7997769 1682.199912 873.0299667 1556.464796 1689.463584 2720.462577 1042.301995 3945.657765 3111.18112 2856.105384 3570.212016 1739.891897 1957.451391 1091.995943 1303.334541 2059.392193 1377.443772 4169.20094 2346.574645 7374.693742 14007.20641 950.2895836 1765.961669 8016.009482 2669.275677 3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid 60540.06054 179611.1487 101866.1901 68724.03164 91482.98439 110909.8052 185323.7989 125706.1056 169365.1826 1150.904093 4.07813e-08 832.1761426 1305.020243 1292.552261 2741.879513 312.1173223 244.8796322 26073.36018 128038.2331 227488.1109 157349.1746 185066.7235 169244.3197 152044.8397 210067.2452 86072.81264 88312.57416 450.6230816 2881.003 133.3776629 1774.013176 542.0992567 4.07813e-08 902.1870455 4.07813e-08 1215.577275 110124.6004 187547.5172 133238.5551 226124.8682 183258.2336 147183.9998 149365.8482 87328.68663 64191.41317 337230.8126 132403.008 156604.3227 158111.852 115604.8974 4171.022959 143490.3081 4.07813e-08 109464.9161 3'-Amino-3'-deoxythimidine 9030.331154 14086.74685 5710.813202 5056.944602 4620.187333 5761.240757 6865.23876 10242.75375 6465.032002 70152.81068 70636.87338 36663.0641 74869.71718 41813.56279 31178.73702 34723.29459 32679.91928 79006.49829 4297.055355 3800.895909 4559.568404 2484.259968 3857.986479 3969.402582 3875.676124 10144.70133 4001.306187 39655.69538 54224.47894 57536.76648 41512.76668 74815.34818 35994.19059 47326.27364 20014.92334 39331.73742 11282.49072 3311.812894 5544.133161 3713.186495 2650.284072 4876.226879 2531.280419 9492.346051 4049.650785 4496.434315 4476.769011 4334.424963 5906.970128 11080.98954 55034.2212 4933.068285 62672.86304 5716.381225 Dehydrocyanaropicrin 12540.74843 24294.07227 8048.832535 15753.55431 15659.91059 5666.884886 22892.73146 13086.06828 7108.044097 4.07813e-08 4.07813e-08 4.07813e-08 148.8474735 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1107.217784 2382.704732 5146.62626 29108.88151 944.3044307 466.8293524 20658.10104 4971.365288 628.9426183 4.07813e-08 84.14094594 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 210826.0637 5321.655708 7544.63912 1483.552649 1879.858729 2776.002844 1042.102883 8482.496527 22562.6532 5735.340886 2920.500734 8931.045217 24010.49217 23613.817 4.07813e-08 10444.40924 4.07813e-08 8548.175961 Stachyose 54691.64418 155429.5095 100385.0253 137221.4702 49625.26374 144100.0881 172185.5638 121289.4428 105687.8386 1423084.202 1120468.51 410182.3955 771974.2575 526834.1038 500942.65 347073.7043 57525.07473 130667.8342 33565.87451 21962.56485 50672.54577 31644.93589 18606.23356 18302.23098 44582.31165 68812.65075 49032.50848 799973.6481 483719.8653 401526.8788 659829.2781 376641.6057 828374.0278 2223568.061 231876.7487 478578.2829 91830.83757 79726.14959 45475.48926 51568.20016 20124.17232 10186.38563 16174.61024 63421.5147 67189.17058 13900.59766 17208.69451 43024.50165 71648.38035 87643.24157 306812.0487 49519.85302 982911.2791 62235.10955 Ganolucidic acid B 9059.942095 9684.688222 46427.00824 4.07813e-08 4.07813e-08 20115.59918 15511.0982 8360.402583 64148.79891 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 705.5594042 330570.4954 327663.9476 38470.8939 96601.50691 2812.168877 66169.30522 101647.5052 549601.0869 34179.74044 1342.772435 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20677.52903 283529.2461 21360.65519 2369.217823 55226.62472 1765.96888 28806.19473 415829.848 80084.62029 48249.4126 286913.0775 168899.1398 4348.084915 1157.111377 330.3451858 86949.32468 308.917851 24126.53887 7,2'-Dihydroxyflavone 7-glucoside 4.07813e-08 150.6228 731.4452023 56.04399446 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9364.425924 15682.11805 20059.5597 8202.451037 26211.69287 15202.19367 8798.38663 21451.71667 24135.39021 4.07813e-08 105.1868421 106.4529576 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17591.02892 26712.341 20408.22043 24603.20062 31392.64788 20143.33754 22187.2267 18510.90268 8150.873836 655.128819 4.07813e-08 4.07813e-08 14.12121513 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19798.56303 4.07813e-08 15712.32815 4.07813e-08 PC(16:0/0:0) 8601.338431 7701.923771 8423.593991 5486.788587 5301.838601 10041.48856 8147.175568 7538.332209 8344.864806 56168.13928 56239.72574 9246.805776 28343.48393 40752.84748 7814.360366 55409.45101 22678.6925 24693.29765 4943.028775 4484.701865 5599.502051 10573.91011 7536.578541 5507.666254 7843.624653 4886.957774 6830.193982 5650.575206 7272.554062 23265.73731 35170.22214 5635.489308 6325.494342 5431.841356 9052.181815 49147.52107 5025.899176 9930.890691 8374.944398 6686.163272 5928.209425 5781.133829 5964.617788 6356.30992 5610.995191 12837.89414 9109.893752 6991.137013 6422.633623 5902.846489 3644.475848 5115.84171 177952.9811 5691.693274 (25S)-11alpha,20,26-trihydroxyecdysone 674.9281988 3574.064506 314.2490147 2124.194401 416.5842333 2695.500964 768.3646168 3730.007596 5363.220449 7311.270266 5005.609576 557.87614 11664.86217 1231.723464 1783.391485 4.07813e-08 1029.075431 348.0197469 4.07813e-08 4.07813e-08 143.9469388 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38.96864353 1.949940359 8399.838779 1045.03191 4.07813e-08 2232.467705 4.07813e-08 2942.635852 3195.618669 662.3873812 1101.797846 4.07813e-08 4.07813e-08 202.5645195 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2251.972477 1271.693868 4226.926344 15839.83311 564.4583493 961.0990814 40723.02443 1473.849163 D-Glucuronic acid 705905.0002 837644.878 647408.7769 1000391.926 1086303.52 788966.9501 1493366.372 1077982.165 781156.1102 188200.4127 453108.9837 184572.5886 195165.4064 257878.7742 211042.3411 598406.6857 557271.1952 264940.1292 91605.74818 100902.4178 140371.5332 143127.5785 123284.5653 63040.60224 160233.0992 60593.7374 159463.117 478448.818 147208.6952 250649.7765 157467.8714 642835.6211 257350.4858 133833.7275 384928.8688 293470.4314 367601.3184 174050.1632 302890.5126 152458.2058 157481.2726 142267.8008 68227.65162 73372.97681 91570.24259 122439.3135 124169.2833 337804.4907 596464.7636 668022.6194 214156.4204 472399.8713 337936.9815 737357.397 (2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-ol 192664.9373 136893.4976 203913.0566 218118.2585 331386.9002 265298.1053 269135.0574 199497.1124 157666.9169 1685.354504 608.3273592 373.8513971 2289.57903 1039.48145 17756.13241 170.7467264 651.5868743 325.3347945 354213.7481 376727.3107 356988.5965 341949.6518 420130.7519 421019.9597 346161.2841 391150.6193 346754.268 1116.540916 827.5082081 580.1854203 885.0062362 208.5763932 6776.938567 503.2211255 77.02888247 1287.017666 169915.8992 291081.7234 229247.2563 362916.7405 373023.49 377361.2698 380859.1016 366329.8089 382918.4442 253611.8525 218417.8022 241147.1888 211872.6359 175904.7111 7397.546383 245645.2397 1070.177941 297873.7609 3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid 239220.1966 410691.058 390280.8552 272728.3292 512828.3263 246886.6707 278536.8229 373606.6794 834746.4994 242821.0348 24048.17535 486071.0782 274224.3993 536041.8822 668007.1527 157783.0518 141813.6523 1816070.328 295881.7981 359213.6297 450405.7571 300553.6469 206348.1306 113095.2458 208885.8046 172969.8465 207772.5064 83574.86137 255667.0304 37631.22029 112845.7971 64656.56613 61192.34803 165513.1733 49284.30985 142085.0615 284273.292 222249.8305 373955.8693 400122.2982 224894.4113 284519.0635 105287.3044 162063.9587 162026.8204 801511.2905 660590.4056 401481.8304 536824.9491 406718.0437 260765.5213 551993.1402 84700.40276 429273.8645 ensulizole 125.6309569 149.3769683 63.76937744 4.07813e-08 113.99586 208.2704177 48.01353203 105.6137252 199.5781225 188.5211244 80.64579854 72.73311847 57.06525353 139.7283908 90.26330498 64.06693161 55.81422872 4.07813e-08 68.08145588 308.1535745 273.6707036 8939.222601 254.1092602 255.8955578 522.1049787 179.6748325 145.6454857 4.07813e-08 33.89205554 35.24976113 98.37142855 34.76758128 39.1312823 53.19196341 1386.31721 4.07813e-08 53.06153094 99.33592172 298.8086774 354.6652863 2921.881909 522.6604471 71.49465626 160.7675821 602.1298895 128.1617122 293.7908113 158.0070227 143.2777056 42.23108653 267.4148044 308.9546739 4.07813e-08 281.7202492 3,4,5-trihydroxy-6-{[2-(2-hydroxy-4-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid 4.07813e-08 74.97728496 4.07813e-08 107.0617032 4.07813e-08 4.07813e-08 4.07813e-08 9.220182393 4.07813e-08 83609.30119 83786.76621 104900.6157 81142.46024 109592.8498 74216.96003 74976.47419 57370.95321 33391.81723 80.73976134 4.07813e-08 4.07813e-08 73.3894552 98.56503941 4.07813e-08 4.07813e-08 72.04008167 0.688762016 85753.69762 54013.90107 107055.8359 52220.80819 97542.70179 121006.9081 93887.75835 72851.4512 106372.5378 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 118.9563367 4.07813e-08 60.32790569 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19.454777 4.07813e-08 99014.95077 65.67969793 75355.82627 95.73082344 3,4-Dihydroxyphenylpropanoate 10434.18857 35105.07399 6566.610915 20609.68014 14408.53429 13683.90823 32034.16662 31547.65787 26399.52757 64.36137855 124.2045193 113.9919486 4.07813e-08 4.07813e-08 22.96093202 69.03622674 4.07813e-08 126.6478192 2962.087797 2930.723677 3349.473568 44776.44228 2584.283499 1095.393288 14881.14561 3717.101818 3703.845995 98.30429818 115.5958213 27.94279236 83.33777182 135.015778 4.07813e-08 22.09190772 59.68456818 72.98076477 409147.4079 5704.265529 6931.256157 3182.723953 4871.372033 5134.684257 1910.514993 1841.026879 8850.226497 1515.033543 930.095339 8006.964786 36308.79863 43273.11631 4.07813e-08 32920.88772 4.07813e-08 3860.883452 3,4,5-trihydroxy-6-(2-oxoethoxy)oxane-2-carboxylic acid 167657.5881 158067.0046 275780.005 375701.9636 321787.6057 356402.875 375645.0656 534323.7345 310369.7132 6109.693751 5514.81742 7591.897099 5410.428979 4645.111408 3484.369282 4001.562474 3309.674667 4859.711051 52921.20563 51458.21776 46441.55528 35154.02007 57113.99887 65894.23609 46018.92258 20942.45742 76460.22858 7496.270852 6877.114413 8612.954835 5432.676637 7305.207972 7352.057352 4153.841119 3632.296994 7136.933534 68232.6226 86439.5195 138386.9497 128469.6612 60157.26088 59913.86188 96857.8017 36298.09822 22916.23399 103650.1227 49036.02299 194594.2819 210030.8131 273502.2768 7924.968809 267249.2033 6210.733003 369943.4634 Aspartyl-Tryptophan 2294.004489 7495.425555 721.5934918 1967.248605 1160.813612 1843.269463 2814.166166 3432.135278 3290.531839 37044.79948 31386.964 24026.96493 38976.17209 23367.58436 27865.52169 17629.69429 27464.34563 36762.32744 1216.149653 1128.072258 998.5365192 1037.17097 1411.499063 909.9705781 1332.243892 1789.172089 1218.535369 26729.75651 30364.22271 30503.99902 27402.3336 34534.06097 24750.85108 30415.00046 16122.19699 30772.35251 3227.199456 502.6499688 678.2647734 855.2866612 855.9448446 1336.04168 502.8043481 1374.953361 1572.975896 572.8854918 454.2671076 1189.456382 3250.624568 6203.548086 36761.7663 2010.659391 30680.69126 2461.817561 3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid 3019.850053 3321.727872 4419.39402 1859.211204 1411.310431 2609.923917 1781.259969 7650.514807 7033.370749 2636.118243 1111.044114 15448.4343 1969.301759 38858.69449 27327.06357 5202.514256 13225.56935 20903.92458 456.5595801 919.1087895 3341.615478 5360.103138 628.6128909 242.0095972 1892.988332 890.2368636 707.9481152 38749.84387 5457.671601 823.9458645 969.1397827 765.2640425 2548.980076 3667.603048 60530.83103 2156.577057 4497.009107 1289.826605 2782.804226 997.6243361 133.1192054 861.1619161 456.3460358 1134.424269 668.2572761 603.5237587 6127.838881 2906.994538 3963.12428 3201.818462 2520.327446 1861.583219 802.3870271 1234.026206 (25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol 11468.01769 33997.48211 31542.81641 63726.73859 76496.42546 20245.19102 73130.75351 32910.31477 22391.26511 43123.54591 7920.041469 25521.94739 45547.13427 20432.58198 41385.5699 11665.83063 15203.5095 77872.64677 30116.16953 27539.25352 51849.64944 78966.02734 84447.8816 32527.00877 61212.61162 56358.61097 62491.06025 38501.85629 13068.65863 34307.57451 7693.216623 2993.988053 17125.95716 15586.26307 10099.40305 20798.92746 36455.13091 45659.38556 47856.17489 105949.8449 85613.07652 80180.6318 30882.67896 44464.78772 78141.5626 152343.7089 45203.89161 83835.988 39595.75873 26052.65815 10864.6134 42517.07004 2498.559104 36370.57794 3,4,5-trihydroxy-6-({5-hydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl}oxy)oxane-2-carboxylic acid 4.07813e-08 1351.365312 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60980.06131 63463.99335 63718.56065 60719.36878 52835.79672 78993.57675 42148.65869 25252.65927 59102.23072 4.07813e-08 4.07813e-08 4.07813e-08 348.5801043 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88520.78346 62400.52879 36257.44289 76207.16398 64062.95807 77938.21418 54735.25783 46078.85357 54940.31142 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1009.898079 2261.320741 20146.51787 576.6739178 87313.9154 674.2759331 Acarbose 4170.2774 5184.710118 183.9311741 231.4726291 4.07813e-08 662.1489982 4.07813e-08 307.9291696 763.8278487 6559.661972 87468.27854 49272.51654 4202.391301 57046.91921 54012.89463 155073.1956 53552.66609 1628.303678 4.07813e-08 4.07813e-08 200.6937345 200.4246369 4.07813e-08 247.0547785 236.0263145 4.07813e-08 4.07813e-08 128088.7765 49388.85876 32410.1138 22674.75794 39218.81339 69463.26038 44665.94923 233236.4339 28869.20883 202.43635 4.07813e-08 239.1428928 212.1345218 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3296.77515 1974.572736 2715.150681 4.07813e-08 13660.45473 1180.658852 16571.88286 1932.161443 N-(1-Deoxy-1-fructosyl)leucine 18151.57969 47044.52913 22781.91177 37204.68457 22460.28448 19046.21575 49862.81228 45920.42945 26744.72017 266463.8995 204829.3638 339015.588 254236.3595 284796.5208 420535.3566 175529.9311 67552.36052 126027.5402 8807.380596 3588.482232 7078.554187 4194.638867 4904.457127 2605.559747 6789.467896 9671.620808 6860.360261 359879.3252 306453.6137 223428.4328 291760.8889 457575.6839 385543.0324 403982.5556 167051.1681 213045.3579 34893.84965 14783.91652 21583.40122 15396.04058 11656.02342 8454.560463 8280.215713 12107.9614 5152.971688 13415.94471 21743.76404 60847.10307 68887.69417 109051.7208 376237.6571 68553.63598 312025.7044 68374.91416 6-(1-benzofuran-4-yloxy)-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-08 107.3097628 186.9239279 10214.27899 20127.4754 8873.201502 9931.22331 7827.681677 10032.08582 12540.71677 16391.99706 8676.737931 596.8927835 512.9861441 1043.943411 559.0732351 48.16484742 118.6009503 562.3124147 369.7887948 144.7505249 27562.36223 11797.26704 35040.68412 10399.56911 19788.36313 23385.9465 23157.01453 8856.037765 20145.13425 4.07813e-08 71.44619874 110.4868429 2.839212552 276.7375913 317.4004936 43.97659475 1.619851168 1182.985625 60.21240513 4.07813e-08 358.928471 184.462003 228.1897934 29999.82961 110.2035922 20561.41176 51.30335492 Threoninyl-Proline 635.6379386 1803.523298 625.2743897 734.8633173 638.379304 1221.17055 1067.171197 2232.401763 6101.286555 4063.017606 4057.687143 3760.167249 2895.40641 1395.717199 12531.9458 5813.630708 14685.63475 5277.999131 156.1484093 397.8848728 391.3890162 6.822286016 4.07813e-08 28.62433194 15.42273558 17.44687066 28.92362889 4676.023952 5112.395265 131.9286986 4399.099097 1846.85848 2342.087509 4498.477046 13882.82598 6383.242516 181.6278774 4.07813e-08 294.6384005 136.6451254 37.316439 12.17803461 22.82753545 17.72858008 43.51333687 4.07813e-08 1001.104451 262.7732889 920.2400073 1877.429931 2927.438033 1202.052325 759.8628206 339.3417583 N-Acetyl-DL-tryptophan 802.4623576 5603.630803 654.1962518 1772.788341 317.0464896 498.0989551 3060.732145 2762.866184 1038.471013 39982.15828 32455.66258 24748.29379 37564.97224 19943.82872 26284.99023 13550.7974 28552.27851 53881.6732 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 125.0611527 4.07813e-08 38765.76138 36367.46964 21181.9195 28179.86401 38767.63044 28208.40452 46771.33715 15468.75275 21242.15593 2468.010456 197.5340202 180.5876947 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 140.1411648 385.0826723 3138.14056 6095.058676 48864.88683 1405.802754 37508.19983 1891.73325 Eremopetasidione 12814.61507 11000.42824 14180.34903 16460.03065 21997.56516 16658.20744 14946.70042 12009.37309 14311.26942 5025.896271 1863.94629 5670.27819 5198.648844 6009.34135 4311.140016 2902.734838 590.8814978 5123.239603 29128.61874 29460.57876 59603.01695 32048.32829 29526.8477 32571.3363 29221.78814 31979.52908 28071.20087 1692.479175 3822.214556 2611.157894 2877.791713 2418.329286 2753.251631 4714.87099 3573.869022 7415.471516 21705.17067 22186.07431 18234.30305 27407.50868 28184.75696 29097.37691 27803.17113 31270.46837 37124.02308 33474.38992 22017.24763 20407.96838 21813.41952 20793.74601 12441.70311 20612.66753 4411.595507 22753.29395 Deoxyinosine 160116.4946 283855.1076 217379.4679 111209.8143 213621.435 152566.8372 97326.27566 571506.1042 424834.9571 11545.70697 9324.83555 119093.7258 13278.10508 15295.74566 23138.94813 6140.788354 20135.45853 18811.80662 158906.4582 172020.3564 91245.85588 74961.22112 95247.11601 161111.6052 121720.0204 35292.04268 116791.6686 14195.05251 17987.86056 8824.506764 18660.75487 12923.32542 6986.408184 3843.514801 23372.14801 13436.41294 118969.7076 141671.4224 138989.8135 181436.4898 205518.9876 155332.4687 280788.681 99360.54186 37274.19588 559211.6844 208527.3931 589796.0099 330736.2179 485642.801 12857.08885 453658.2407 20147.13773 226232.9142 6-Hydroxy-5-methoxyindole glucuronide 4.07813e-08 2287.094571 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 97.89039876 215.5495852 4.07813e-08 73350.40107 114861.7621 93640.47911 86169.66973 51786.91114 39841.09706 29576.57352 20721.86134 33888.37751 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35328.69996 58680.28402 46826.75046 34461.66169 53904.78813 41414.16289 68974.33147 22229.56151 31961.70261 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 86.95897241 4.07813e-08 4.07813e-08 97.1253684 190.6807991 461.6903853 1601.063765 52417.1514 838.1333362 79989.77 1741.929291 Traumatic acid 53223.37928 55262.29938 55098.28049 50949.21003 58347.75455 58945.02933 59269.62818 48517.25093 48582.61869 39877.5615 38419.11756 41839.10109 46751.14325 47282.57082 39918.93184 50956.3611 38494.16316 54890.2861 49154.92843 39448.54051 36199.17814 42643.74401 38823.26535 38270.78082 38925.93624 44975.32189 44422.27589 31030.62364 46276.20083 41159.47385 48192.82539 46649.56321 35734.66336 35073.98344 38835.07105 48292.67727 41602.98601 45784.68791 46732.96891 41999.12423 40547.93694 42608.97818 43806.75427 51424.84938 40211.82796 56323.63217 52535.96883 48603.47872 39948.91201 40595.19673 35293.96261 40190.42033 48623.21041 58914.00429 3,4-Dihydroxybenzeneacetic acid 8212.514156 1064.204572 3310.889135 12041.27515 7502.825986 2129.616182 19448.01708 2969.711578 918.0206404 69.97928009 88.73659286 88.36981491 190.3170591 50.06614103 122.6490999 64.00505273 64.55184614 45.09610859 3651.332132 5851.978029 2826.265917 2583.871271 16921.34039 4142.708917 6259.130172 3468.635682 2075.748889 55.29088415 201.5247592 110.9965049 129.6390213 78.95357583 133.8202245 154.4002152 21.27986984 63.96995308 3537.622795 6290.71192 3422.792956 8007.566168 2404.517245 11299.86463 3783.688507 3001.490421 2511.650944 2090.63574 2257.03824 7990.28996 2660.202124 3312.397305 120.7597342 4375.471676 41.71780884 2411.536867 Pyroglutamylglycine 3127.567562 7256.618972 2561.830165 4248.222517 1811.879169 2880.195668 3489.366155 4642.500663 2788.086878 47419.47894 53390.19062 13800.10489 54249.6989 29742.65737 23212.33137 24125.98666 20226.07194 27221.3116 2240.771463 1929.663928 1427.176005 2019.495703 3233.853993 2329.983371 2128.751689 2291.178463 2024.155499 24921.42115 26682.38985 45537.68528 22195.00797 21280.10077 21470.69835 44415.92954 13962.25708 27895.77263 4130.290893 3367.80059 3079.207672 2018.176654 1557.620727 1605.613336 1999.428541 1844.343945 3937.946159 926.8215969 1160.827648 2087.828503 4487.882451 5882.696334 30137.69621 4056.063111 38689.33219 2434.789921 Desmethyldeschlorobenzoyl Indomethacin 293066.3182 290497.5792 166298.5232 256809.2029 234805.9436 119406.7839 174482.249 226856.0304 128582.5614 60352.75265 54454.02447 38684.68776 51498.61369 48195.4039 47797.75284 36056.08432 51870.88999 48439.30999 360674.7669 134902.6606 197159.1997 410797.9879 271196.5652 18054.54048 356659.4777 306493.4099 54087.2482 45965.36973 65458.92078 62499.76758 60092.56587 89713.63974 50551.66962 63207.7068 42119.49797 38888.50234 510484.4938 184698.6094 248585.9081 57922.07276 383957.6367 590525.4226 19255.01871 224204.9434 538111.7738 16669.48737 36731.99543 113327.9024 396661.3384 241874.845 60858.7729 132202.4908 45105.61362 116418.0121 3,4,5-trihydroxy-6-{[5-(4-hydroxy-3-methoxyphenyl)pentanoyl]oxy}oxane-2-carboxylic acid 4.07813e-08 48.35330082 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20.37941737 378.1045887 9270.848501 383.6930266 234.8746758 4.07813e-08 1324.188524 14513.56491 28760.80961 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 108.2430329 82.85147002 4.07813e-08 4.07813e-08 103.091355 56.74558466 14009.50403 21.89184614 55117.62338 302.2266275 19228.47431 16333.34454 419.6147893 20293.63342 7106.36866 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 61.65530708 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30.16569043 4.07813e-08 1461.250376 4.07813e-08 7089.495423 4.07813e-08 Apigenin 7-(6''-methylglucuronide) 4.07813e-08 4.07813e-08 4.07813e-08 1861.711151 4.07813e-08 216.830172 4.07813e-08 341.1939287 4.07813e-08 1316.20019 21465.84872 4.07813e-08 206.6837458 4.07813e-08 3914.971906 1164.314697 80194.63477 4.07813e-08 138.2843338 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21379.4822 4.07813e-08 1057.997684 233.1204007 26546.29912 8382.870624 1082.182936 19727.08224 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 168.7724035 4.07813e-08 4.07813e-08 205.3570912 2416.51939 4.07813e-08 11625.74205 4.07813e-08 9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R] 47859.6744 38818.10765 45491.21383 37482.32528 43318.58633 46879.29032 44719.88593 35373.0222 37346.79504 19222.36118 18235.66966 11297.71843 21962.75054 10129.96604 15362.50881 9568.115915 9085.885133 10926.57731 59745.5914 59635.69597 58883.06054 54851.34661 60203.68124 63591.40857 54079.25101 53804.30972 45884.92507 6297.794831 12561.85896 9066.253816 8618.420668 11984.21528 12226.77591 12791.28718 9818.828957 7278.515426 40429.71282 55262.95953 45972.45486 50352.601 54655.6941 55632.91695 63721.00526 48556.96412 68453.4873 41962.45042 30733.70245 41292.85409 35419.96048 32356.02911 10251.81191 40639.00454 9435.489328 39705.7653 D-Fructose 11332.06187 34868.17079 12564.20863 26099.52066 16893.36409 11545.77704 22471.09618 26105.06779 26518.0523 7090.744351 7501.151511 7008.904314 8148.34709 7794.847217 5112.575525 6434.038493 5158.116864 8266.13542 6092.211191 6246.474356 7332.890796 7099.400531 6448.607814 6320.934105 8590.936637 9085.69647 5894.233664 5708.33117 7993.107504 17289.79732 7701.580501 6392.439032 15619.78828 7010.64986 6412.85545 6337.660242 15826.03351 8180.904785 8499.521784 5994.231778 6533.150552 6918.235988 6735.339584 10988.6404 7324.913406 7939.699107 11146.35224 13549.79124 16333.08032 27568.38961 5096.944969 16023.52279 6757.923036 17957.8269 9(S)-HpOTrE 8419.714986 12892.08036 23911.54117 21946.20335 72388.75833 21374.0855 9308.987961 7078.584986 7180.71234 24057.62819 15185.81381 7096.085319 18186.34796 8325.587002 24135.34165 11503.94452 5275.528548 6185.510712 12565.51688 15928.78267 12896.41756 17698.45269 19170.67468 14994.99538 14350.1313 21003.51116 13294.089 4417.880903 10854.60792 10342.95648 10786.98635 8475.126249 12733.6326 6831.700935 9155.324287 8327.967088 11562.0395 13956.681 11609.43892 11858.83545 14495.52127 18674.59722 18162.09619 14920.00496 26501.3007 11296.96843 9513.600379 10386.42659 7326.470534 8985.662668 7559.992349 9565.010951 16954.17168 8233.621243 Asparaginyl-Proline 232.4606474 4150.068884 959.6439102 2371.53834 918.3261165 185.3587982 2540.172751 895.3111466 1293.340278 19295.17334 16935.82257 22983.80698 18895.7623 11283.14181 15259.00722 12401.45013 5674.783216 12566.11324 1983.770886 2313.517385 667.9043127 318.476718 220.4640718 681.3725402 1489.164476 622.3367511 115.6096725 18096.02378 18611.29308 10717.44568 14865.08628 9718.168035 16369.51004 20869.77042 10471.09007 13585.9473 1990.854127 117.4691008 417.3750893 442.8779768 564.3020332 1141.998028 163.1503933 1205.924894 223.7240721 2483.106662 969.1563155 640.9831175 1161.964412 4600.329957 14632.65514 1160.713023 14299.95529 974.524037 7,10-hexadecadiynoic acid 301046.8646 215277.7922 318890.0857 237562.05 259769.0846 196225.0266 278684.9891 275636.7633 252986.6649 160705.2591 166803.4305 199120.478 188206.0762 243772.2073 200100.6326 296807.4342 160819.1029 179285.6074 196998.5884 226959.4213 206672.4841 222188.2708 192238.0521 195563.6145 194517.3749 250216.2162 210035.2446 193376.2043 235740.303 189323.0732 255408.141 197249.2107 178385.7183 175364.5242 892651.5256 269045.3702 236900.5998 243339.4398 188165.4773 144545.764 235745.5534 184088.2797 208405.0131 228339.0968 208666.5856 232579.1346 233944.6407 217344.6122 181882.8399 209431.687 133960.4843 170784.1318 208305.816 172000.488 Methyl dioxindole-3-acetate 25471.58243 47763.16888 12093.86681 18771.17892 5730.111916 6679.401643 29464.15009 21083.82051 29881.51927 115993.5915 122247.0778 103795.5932 89245.61066 141416.7613 151603.6998 121448.4958 93039.6811 141538.0716 6833.368139 15340.94282 5021.021434 3221.041104 1864.121355 5254.393846 8600.669005 12696.32407 5724.608254 64831.33823 108639.7869 120971.9337 113147.1801 116271.4799 126540.0889 110038.8836 63839.92027 102095.2025 13796.4859 8174.847097 6665.814779 2758.523405 2541.956075 2092.259579 2327.137227 9213.214498 4302.549064 2483.732781 13995.83171 8209.790742 17118.19361 35945.73607 123581.1534 15076.65359 82548.43696 16981.94383 (6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid 96832.18993 84254.50001 170764.7252 133478.25 209052.7486 25504.43248 24739.13842 406142.3827 260901.2933 1326.492419 249.2036432 384.0325157 1288.064809 223.0531149 995.9652228 4.07813e-08 66.58806483 801.9343839 274557.4509 135133.3863 269320.9446 194430.1265 18692.56879 9578.333332 32393.62568 270910.9809 477138.1762 1119.21383 168.3321347 509.6810501 1006.263033 220.4089279 71.25368734 256.3510241 4.07813e-08 785.8982464 68704.84077 109586.0067 150854.9157 142034.4108 182153.2798 47139.62276 9024.296027 231190.505 561093.34 7802.456998 10747.96592 22728.18189 175003.4171 89931.65595 997.2160479 140839.1953 423.0907344 28601.4554 Uric acid 14613.18374 7696.616495 17939.61094 7758.326299 10689.43885 8544.419639 9048.447133 9341.547232 13211.41113 25180.31611 16053.61684 66686.74695 24667.10522 25865.24599 16516.07861 39663.73072 38963.31894 32078.50118 25841.0479 19870.92173 23541.50837 14461.48079 13044.11049 15956.52463 18002.46011 18116.53589 27124.7177 51674.31116 30336.09793 37549.2054 142553.1584 54576.57788 15599.52343 33004.53152 27814.37492 30487.15061 12176.90915 9582.519477 11535.27035 17393.04167 17358.61752 19462.05884 18163.28063 25225.66924 39914.8238 34345.63211 22913.58341 13585.98077 8056.692554 7445.317294 23811.85162 12095.88041 182750.9643 14943.86999 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 4.07813e-08 4376.764396 4.07813e-08 1054.930542 126.5111998 4.07813e-08 385.4457053 1084.504138 1357.745107 145.9249787 393.0257675 144.3224995 4.07813e-08 4.07813e-08 94.99877574 4.07813e-08 126.9620235 84.07439047 13221.05172 11606.0419 18580.46672 7418.909125 15321.59563 3742.374722 22318.6546 9135.172225 6803.644524 212.195265 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 198.305176 69.71756681 102.1402988 32078.95571 9260.459095 32125.84405 12232.57834 12023.10499 15820.29536 1312.906154 9952.93542 10671.90569 37811.1696 2239.49232 709.6489432 4655.954714 2347.546408 141.3182578 3394.073894 116.2201463 11327.11237 5-Hydroxy-7-methoxy-8-C-methylflavanone 52542.7077 52725.75852 46114.57066 51674.08797 583152.5764 29374.08612 65591.23787 81064.65914 34721.39063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 413.2167408 504590.4903 22083.93704 102848.7674 240771.7113 13555.77439 1177.796538 88947.19442 78077.48761 5777.501013 1420.922016 429.955299 197.251026 51.09779783 92.96503146 4.07813e-08 33.64036613 4.07813e-08 368.7407389 569220.0755 34776.04584 122143.2666 13683.87082 81755.90173 174299.9728 1838.350026 38649.34876 1844726.558 1064.022115 9521.848321 38341.10094 41735.95735 98810.24231 4.07813e-08 22865.82188 4.07813e-08 16382.60849 Lycoperdic acid 17346.80838 60032.30432 10125.70342 25674.57048 17408.73337 8551.522003 34752.19034 21657.80607 14610.22718 286203.8279 244928.4534 224434.639 303247.7786 208490.966 207828.3113 166340.4766 101286.1355 314149.401 14539.14835 9394.797244 13188.1284 13769.28313 18120.8413 13308.57279 17605.81897 16964.10281 14788.45391 305888.8635 343762.0272 229732.3085 294757.4853 349192.7626 293346.1388 290485.7494 136688.412 230357.1449 50102.59158 14664.51443 9446.879322 14186.20544 12496.62072 19332.4468 14119.16777 16450.50514 17342.06103 9335.032894 15618.95404 12785.64384 25786.08497 57730.76869 357308.1006 27001.13852 338839.8396 50083.30993 L-glycyl-L-hydroxyproline 2014.514333 8402.134204 2476.706847 4256.066114 1456.614891 2339.552669 4659.717164 7527.21381 6938.662849 97315.68935 83494.40333 50011.51692 94694.90685 37596.31947 65412.90211 30690.98831 47093.99491 64700.72547 1316.662515 857.9912662 820.8165869 819.7313741 422.6601766 832.1398035 429.8253415 1268.803943 2552.876446 68559.57532 82155.46823 57079.21058 56868.07185 63643.1938 48576.18706 60071.94816 35558.69941 45503.03874 1491.001468 1988.023646 2646.265608 3022.036879 3565.527603 1588.019669 1524.623762 1847.792488 1225.071109 1932.252887 1489.615484 2942.77081 4647.501854 13667.14497 90735.51538 4098.81916 78600.03995 5351.7084 3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 67.48176846 4.07813e-08 0.001519063 4.07813e-08 103.6237401 126.7101869 53.47998989 2522.329432 6214.972052 771.4398263 2460.449745 1489.36888 1548.572093 6842.134633 54878.42699 1368.72786 79.23638445 78.80311388 119.0450276 189.0908683 60.04644286 4.07813e-08 215.6389606 335.8648308 1.277428455 58470.38277 1811.854382 10073.42866 640.4242097 63681.10151 20173.52053 2585.473704 47060.49418 1091.102217 73.97386659 4.07813e-08 4.07813e-08 112.8523462 141.9141185 4.07813e-08 0.829633786 415.1134877 196.172363 4.07813e-08 4.07813e-08 4.07813e-08 68.95501238 11.402394 2045.769452 49.15301553 6146.635522 4.07813e-08 13(S)-HpODE 68104.47971 125210.0684 181984.2522 201187.8889 114446.977 241543.8747 96102.32473 139439.5643 187013.5238 149798.1283 57482.06537 66795.36584 120937.8678 53714.94575 27712.62431 98447.64481 81000.72453 82914.67814 198686.7673 321288.6315 159176.429 103083.5703 85884.34232 423877.1969 101231.9562 96004.94473 87870.8444 43496.32724 106819.7432 63442.08409 58627.29676 50131.06114 94068.96578 31275.21629 46331.85126 54316.09716 50569.05192 210390.0154 91724.08253 168222.3288 106306.2761 54390.08768 429717.7348 96384.45076 95207.61596 285714.9654 190313.6209 192304.4207 71277.57843 45138.63487 20203.46115 108108.6212 198047.2595 129075.8509 Semilepidinoside B 4.07813e-08 2280.79459 213.5236913 203.8095526 108.6944568 7.303607634 495.7472385 17.16960573 10.28380346 24247.77715 22285.66322 32791.55922 22668.60898 28619.47305 45146.04156 21635.77888 7498.923293 19104.59741 38.11827334 27.30029669 118.119068 4.86653563 33.26937421 56.5590225 6.765861861 50.13132847 90.0334074 42580.19281 28236.06935 21326.14351 29470.12124 52246.36551 40244.38347 37473.17081 19161.70223 22759.80066 553.4665606 4.07813e-08 5.798370229 47.86583786 43.84851432 56.02362433 7.229592543 42.96450047 103.9045787 12.85395116 39.61274236 141.4645761 1709.558795 5609.233717 32060.21393 436.9356357 33603.21477 1681.07178 cis-4-Hydroxycyclohexylacetic acid 6714.834236 5881.778369 7004.984106 6678.009895 10247.25025 7813.584688 8063.438609 5464.946974 4799.197702 2210.534895 2873.902006 2018.177905 2541.450595 1995.251421 4573.790457 1673.30408 871.1957991 1523.450134 11023.65024 12622.10548 10951.3163 9265.524736 13541.24303 11970.3579 11097.89797 13368.54753 15173.27827 1324.923045 2023.57339 1686.114803 1751.857288 1872.363737 2287.077504 1970.251344 3452.340136 2107.121231 6493.842952 9660.636117 7699.083037 11483.58103 10583.93054 11708.23175 11283.86056 14274.1301 14874.36325 13766.80762 8647.26726 8801.070704 7787.818498 7921.521763 1697.980371 9309.635097 1914.843942 10103.56729 (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1069.574434 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.769857292 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 264.3400803 216.4826324 175.6479451 3.627218214 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 181.2566237 4.07813e-08 4.07813e-08 4.07813e-08 186.986565 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 460.9140874 83.88456532 4.07813e-08 188.3846526 247.4902861 707.4861019 466.7742622 209.6001519 1941.150996 162055.9092 1145.699413 8108.572462 1236.317319 Citric acid 7315.808745 8330.47184 8078.873868 7991.583686 12311.73342 8146.451947 7602.594447 7861.489708 11112.92031 97443.42625 98411.1748 123711.3321 153443.7561 24900.89895 62172.89027 21743.26959 12600.86794 68515.08598 11119.34577 18096.95431 17328.97096 8971.796768 14484.7146 11284.72217 13169.69318 10532.95975 14203.40923 41888.70379 76331.41482 37610.4324 66693.68298 54606.18517 84773.5214 233609.8128 33475.17657 58582.55736 8776.030586 8874.924129 8910.684854 11564.98108 10244.14612 18858.80065 12119.64898 12536.99431 12955.48451 14823.80839 15320.14476 9058.620015 12039.84505 21780.3529 110636.4562 15609.25345 205411.0519 13280.46812 Tyrosyl-Hydroxyproline 13703.01916 21947.87217 6283.036718 16234.69666 8292.20787 8209.795225 19496.22933 20907.43779 17382.03157 4756.93509 4162.255919 7635.367964 4187.215664 2316.0661 7076.619431 4424.675646 2475.026516 2298.340751 3100.142661 4240.668704 7497.373528 2179.998354 4592.472388 2427.945759 3616.803497 2842.587546 2644.531306 5417.448963 3187.999869 1984.41461 3833.846025 2449.809401 3799.743231 5640.842111 7841.051212 4356.962582 5481.961367 5189.553128 7578.264005 5478.291746 2684.651869 3569.166908 2680.320106 2816.755395 2074.114642 2677.89642 10739.98806 5096.305541 14641.27623 22032.67457 2593.199744 7105.662873 3199.295012 5507.306483 Seryltryptophan 669.4204458 1917.195958 403.656608 805.6374077 317.1568824 271.538482 889.9933206 1462.409959 1427.907725 16427.43147 16611.51915 10931.39296 18825.39462 14102.52252 11188.27498 10842.4168 18078.75169 16735.5994 91.35255197 118.5579044 52.51281232 119.5360241 123.8324629 30.25185378 79.19117303 113.0229248 3.03648945 11751.97894 13437.88625 14937.71644 11213.84557 16265.26623 9095.439677 13376.60743 6825.858281 22644.22934 150.9459049 18.31139164 112.8939529 4.46437262 270.9978823 84.44385648 78.27204388 57.27243774 98.58659556 4.07813e-08 632.9288303 291.3017877 1306.261347 2831.102163 16298.48381 465.2903514 13723.13534 641.0429339 alpha-Zearalenol 4.07813e-08 308.9756383 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 387.9606143 1051.261448 15197.64729 17842.90194 12941.80255 15436.27555 8515.132501 25207.47122 29837.4334 10078.6637 13090.33132 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14755.44408 19903.83609 7428.792459 28844.54991 7186.48962 15316.11056 25951.08351 15926.43363 24050.68947 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 186.9287423 7495.797862 4.07813e-08 5189.739849 218.2246939 Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 2017.805433 1453.541828 1762.364593 1859.901557 2011.412842 2644.835567 2287.140482 2103.295837 2574.044923 21787.16302 80507.41874 63208.54419 34317.14177 52259.14383 17068.90156 26841.41787 16699.49633 47954.52093 1801.884068 1458.775793 830.5357422 1466.625101 1270.74771 1661.382779 1113.889759 1666.683342 1698.272153 6285.281376 30204.87133 47492.2678 11200.9002 46257.53899 12080.16672 8683.083755 6682.004697 34749.24056 1340.408221 1563.996871 1706.021681 1235.010939 1368.715464 1610.551514 1647.180601 1397.509264 1075.135771 2570.488766 2976.746346 2372.410285 1333.514484 1181.083424 23435.66641 2010.668649 33826.96517 2628.566065 Galanal A 15822.1098 11827.27349 18685.10383 23126.32655 16531.96117 10511.49468 4985.512563 14146.38407 21352.61045 4.07813e-08 1038.329087 4.07813e-08 33.31035405 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17509.87457 34901.65303 13004.61215 27089.59619 31726.5627 19321.91634 15265.24503 20969.92046 35342.19825 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1645.564957 128.2147873 683.5950446 4.07813e-08 4.07813e-08 32126.79727 27336.24956 22573.62393 36595.87123 30956.69342 16972.46642 21251.71201 15439.06467 47000.71181 27187.29092 24050.98214 12566.0846 12975.18725 8445.489373 1178.286919 5636.781424 215.6929261 10075.97355 Heliannuol C 33206.41655 19780.44983 18028.4461 16808.62452 22087.71407 20339.16639 14690.0381 54768.05752 46472.6285 1401.525311 1259.652601 790.9024613 1356.157694 1097.382066 1207.396308 1253.516041 2875.081257 3478.242951 19647.93377 13065.10921 28889.16711 33829.2979 12453.44798 7701.788871 14250.45207 4704.582534 5173.805193 796.8646043 1120.126961 1856.54635 6258.169395 9508.837014 6280.038877 1787.495983 589.0612014 7085.260213 42439.56591 14815.89786 30446.01181 16511.40285 25799.9541 19545.63375 8407.894314 5225.117142 6859.442776 10899.9396 34478.67157 27925.62888 52241.9387 45991.09693 6461.368126 22387.48229 1372.830567 25313.82574 Bimatoprost 121.6866952 3115.032646 650.704389 1093.623638 353.979584 416.7981546 1017.528521 427.4167308 15625.84929 10561.3848 2426.797431 85601.0892 9015.397651 2011569.101 80157.49805 87417.13604 42540.09794 60272.73943 1073.974892 2538.285635 653.3541908 554.8828332 873.172759 564.6167201 641.031483 1332.413426 1426.351904 22567.05148 3676.55928 334.6035906 20018.29197 5747.509258 1377.763072 1527.013439 14404.65624 2246.983566 377.2888682 1461.039831 747.2342371 829.0009635 594.382878 713.8005644 572.6244717 807.6762015 2255.654639 1434.456307 6377.123005 8590.786015 58401.42181 16887.00904 75120.37503 694.7504222 3743.613608 821.1522234 N6-Galacturonyl-L-lysine 425.2228733 9345.883643 1602.64427 403.3222222 476.359486 68.83736247 429.3752083 322.263505 599.6288293 229.5499125 112.6697262 389.5301967 103.8711531 4.07813e-08 4.07813e-08 59.0125405 108.4690594 139.5219729 378.2851664 2430.522499 3430.963123 696.4406464 233.119868 65.20240477 1214.59191 325.871005 252.5234966 4.07813e-08 53.95136375 64.3907627 4.07813e-08 107.207547 141.6145039 211.6584066 4.07813e-08 284.4648615 1591.379962 2013.727355 1644.062007 836.4512614 267.1085948 864.1552554 4.07813e-08 310.9597032 454.1839472 350.0981863 806.6940526 208.2623566 2931.689965 21633.11162 255.7909179 2108.533018 84.72052658 4.07813e-08 Oxysolavetivone 20266.86417 10126.67982 15989.50536 15174.44897 20026.43794 21437.99581 22067.45567 15296.3134 20760.54967 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35066.63577 23133.25951 16881.73344 17826.19027 28472.62405 34474.23999 22203.18312 15933.02693 17583.23795 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17089.61942 14132.91605 17305.26 21435.22898 23842.73564 31194.03958 30327.99518 16007.88277 8918.51218 48767.3785 29413.45781 36541.46395 20377.809 22763.44386 1770.475136 22455.06442 170.7354079 24213.30519 3alpha,4beta,7alpha-Trihydroxy-5beta-cholan-24-oic Acid 1661111.715 1408558.188 1803036.704 359923.4422 253043.3868 2183289.047 324080.1042 2487958.898 2166696.363 1493326.13 545093.3352 20421187.05 1456295.744 23934901.59 22552543.49 6505636.814 23228254.17 17855737.18 1572905.751 623500.8937 2060709.801 854857.5291 188224.4184 30747.38778 129688.2392 63316.52489 42031.59059 8325669.464 12002958.66 1243661.43 8110863.641 2531540.547 1370502.265 12031939.29 13666990.68 3613364.194 2012971.84 386632.6064 2918082.051 635719.9071 172604.4752 449847.6969 30036.23657 55174.10919 28569.14213 2229364.649 7006047.044 2758147.896 3860684.688 1222401.308 2978481.967 3559189.022 896303.2021 1480929.777 6-O-Acetylarbutin 4.07813e-08 4.07813e-08 4.07813e-08 31.20711689 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22259.72088 19819.76174 23617.53221 21384.05474 21294.16257 12938.82581 12217.06458 8564.31082 1792.777949 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13934.36904 18049.71598 15772.36866 7970.727114 8189.028604 20145.17227 25274.83963 8491.25812 12358.39238 4.07813e-08 4.07813e-08 4.07813e-08 25.36280381 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12555.57123 4.07813e-08 18309.62073 4.07813e-08 3,4,5-trihydroxy-6-{[4-hydroxy-5-(3-hydroxyphenyl)pentanoyl]oxy}oxane-2-carboxylic acid 715.4474008 2263.533934 869.9269298 854.5540663 1782.519623 83.91111169 1702.944158 759.0231495 759.6479735 14647.43597 29447.56316 13480.63175 12272.85791 15213.51859 16487.90845 33175.65307 43277.78417 14696.41017 853.4620308 740.4487915 1308.028373 819.4508701 1336.775101 901.6741597 1208.037685 1625.025702 1755.764791 41956.33448 7615.362252 105993.9801 9964.060413 32877.21718 33934.76201 8438.234157 45879.50436 31132.8489 1951.074555 1032.734355 693.9132241 736.2380927 853.1301084 1174.948507 506.1672873 1583.378608 2162.259507 1006.205266 1137.62289 262.031771 1472.469105 568.472877 7397.503823 676.9909715 20603.37825 299.3712962 Daidzein 4'-O-glucuronide 234.7667398 147.5080927 211.7858759 235.028623 619.7443165 380.6577458 372.6665473 170.716581 205.326265 1071.039231 103766.665 51.75428959 1061.16074 4.07813e-08 497.8348544 85004.54275 304632.3471 761.3226106 476.5845426 4.07813e-08 1240.845113 611.7508567 602.644693 551.8270428 190.5321695 4.07813e-08 262.5242381 340219.0518 635.7833696 100344.1763 931.0153916 221947.1803 198719.194 915.8161369 295788.413 695.335343 33.60431037 190.2857563 141.8794782 632.4937299 372.0619627 302.5400264 646.7034718 177.0978516 207.4186072 1818.061966 386.1874654 338.0244719 4.07813e-08 189.5530804 774.4629332 153.2033447 7200.983298 338.1655414 3,4,5-trihydroxy-6-{[7-hydroxy-4-oxo-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-5-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 80002.79903 73993.29007 69976.32173 80430.31735 54346.51569 78267.50724 38207.29 50859.40849 70011.05519 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78230.28498 101783.8917 40902.41084 85884.0075 87107.97975 87161.82489 105160.0388 42560.12273 59426.5539 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 511.23647 806.6774644 74485.42974 4.07813e-08 100744.9834 552.3307299 9,10,13-TriHOME 265341.9468 310170.5914 422216.0293 378576.2853 847102.7432 316390.0658 194709.8229 213951.2482 204085.0553 376839.2755 354468.6727 227433.3962 367995.0045 253481.027 453866.5384 298165.3455 232469.6524 223532.8619 248275.0729 176304.2103 202923.0182 266569.2839 278582.9357 282474.7344 196273.345 225874.9938 166759.5902 146354.6055 228879.124 247489.334 213926.3925 204845.1982 317824.0666 357104.4223 289430.8816 204101.5105 282558.3806 193331.9363 202075.9748 169282.9452 161167.986 255077.8791 253422.8468 208615.4041 327044.4507 110640.9908 127661.17 148333.9857 190376.0988 237412.3694 169486.7011 202668.0011 247840.3341 239135.7237 5-cis Carbaprostacyclin 15625.81138 16952.42667 23887.53284 19247.38973 11285.17369 46129.36671 60586.96094 4.07813e-08 36459.50017 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37123.75715 42572.58503 15312.75952 30780.34079 64687.57446 56894.4767 41528.46289 4.07813e-08 2921.973393 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24259.11899 34389.42405 16890.52224 22890.0501 45139.92414 33763.5335 48291.17222 4.07813e-08 2277.041842 47984.76873 52024.75397 64513.72969 9489.812822 6044.468546 23262.04002 35400.7572 2867.871803 926.879741 3b,12a-Dihydroxy-5a-cholanoic acid 4.07813e-08 4.07813e-08 2392.688496 4.07813e-08 4.07813e-08 22016.47246 3207.258048 2807.559965 652.6598862 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18757.55796 8930.791782 20323.68733 4974.060985 6305.359546 3516.647196 4992.138026 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1788.308943 5743.83222 4.07813e-08 7503.244879 7275.399146 7306.550567 535.07772 1382.454067 4.07813e-08 4.07813e-08 127830.7071 34734.87695 20235.81607 4640.196372 4.07813e-08 4.07813e-08 21864.53368 4.07813e-08 3512.056882 6-Methoxyluteolin 7-glucuronide methyl ester 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 177.9530255 618.0834592 4.07813e-08 4.07813e-08 8740.505257 122071.6734 207.6081997 7055.73996 4.07813e-08 8565.880453 1699.570755 107058.5453 386.6041065 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 151611.6887 2996.154728 5988.029584 11804.97528 121809.6512 55852.88749 8376.462309 46266.08799 430.2216512 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13152.94889 4.07813e-08 82591.22497 4.07813e-08 2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid 1027.565326 868.9733952 921.9979218 1080.468566 1940.292491 711.7900011 2421.097048 726.1355639 92.87546823 124.8587024 4.07813e-08 214.0063773 89.26582796 4.07813e-08 71.71319882 4.07813e-08 4.07813e-08 116.2282743 93.4600192 86.50357409 4.07813e-08 347.9285913 4.07813e-08 134.4051448 560.3854403 4.07813e-08 4.07813e-08 88.78515835 507.2974213 4.07813e-08 4.07813e-08 137.6699612 111.9310931 209.043314 101.6917501 4.07813e-08 15839.92769 4.07813e-08 82.68460064 4.07813e-08 4.07813e-08 84.42613528 4.07813e-08 366.0255621 4873.123968 4.07813e-08 4.07813e-08 4.07813e-08 512.167629 861.9180976 4.07813e-08 155.2923 102.9552392 121.515842 5a-Tetrahydrocorticosterone 6133.731712 6335.122707 5325.620205 5819.481724 5358.921015 8010.404082 5949.53412 6238.622926 7052.1552 377.5801542 104.3130282 4.07813e-08 654.9443439 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 160.850689 13904.90507 14641.75988 11518.77643 12601.68205 15566.9602 12635.62518 11774.97646 38663.90689 106586.8353 4.07813e-08 442.6444336 4.07813e-08 4.07813e-08 464.3370869 109.5155913 124.2818136 4.07813e-08 4.07813e-08 5752.84637 11717.41491 9744.982757 11330.88933 15241.54329 13283.50069 13772.13552 32441.24063 51461.48825 12154.99554 7533.797279 10975.07398 6441.882264 5369.886956 323.4096442 8701.367158 105.3723986 7492.307624 PSOROMIC ACID 183956.9567 160513.6189 129596.8048 171861.9246 180251.4354 158949.3049 130652.2893 145160.1601 168464.0707 112139.2966 128046.2318 116185.1027 128477.735 164787.9521 110696.7389 153178.7244 111419.5068 130777.4034 104641.8547 129440.5851 119884.3862 103717.8381 100607.7189 120340.649 127361.9762 143299.5745 107731.7395 112065.096 151823.4429 145498.2813 165127.1469 121465.3783 127059.7888 121180.0623 118222.2355 173220.0229 133894.8887 109685.0682 99339.57233 118041.0727 91031.63892 99731.37472 126929.75 145968.1599 106454.1639 152856.5688 150611.5314 112627.1136 136247.1965 102004.669 116081.5832 111794.1833 149973.7368 142610.5541 N-Acetylaspartylglutamic acid 2318.644838 7383.732527 3030.021845 2271.504266 3143.875079 2790.030333 3437.126879 2089.071888 3738.388067 114195.8708 92541.38639 69379.09572 113802.1993 62816.92061 84202.86746 52753.15701 55043.88449 98036.10767 2434.499073 4781.857534 5331.459449 2956.76455 4952.794012 2261.730415 4224.676184 2988.601279 4697.065581 101563.0798 101639.6842 92362.9669 69066.18336 119436.8005 80734.65292 110091.0269 35984.17576 95849.00532 5281.919289 1569.688773 3006.054382 4469.919524 4146.427046 6802.27421 3278.540243 3176.966847 4733.420542 2548.114207 4365.820438 2548.01413 6405.396264 11268.85404 129961.8749 5887.376071 118216.8596 5396.496933 N-Acetyl-7-O-acetylneuraminic acid 43.69164049 104791.6583 123.9742468 935.1624523 602.5131272 756.9057331 106.6373005 4.07813e-08 18.41790427 1713.241091 231.2302316 604.9911572 2426.952318 754.4411402 400.1839607 874.7814982 839.7522501 535.6090737 778.4729238 851.1315054 1804.948142 395.6208513 1877.911574 468.7173752 1158.161761 365.4564354 538.0931274 973.9497035 1763.261378 1407.713521 556.8401047 599.9253958 2503.575011 2309.063521 455.3027274 2955.811549 1408.502939 1534.521193 2200.925222 732.3969515 596.6070271 2328.095771 734.6463719 1121.757941 1331.85349 1275.497363 3.88414539 589.6368326 602.9264402 303.0914389 421.2051202 577.9536199 1540.359775 2064.933281 Chondroitin 4-sulfate 101039.1888 1331359.697 50099.78808 57922.45861 41028.25431 31128.88836 247117.0115 241369.8898 122563.7907 6009.005107 6304.996842 6936.421554 6025.45899 7958.182607 2656.31519 3173.886946 14733.54191 2048.927682 32696.64183 69564.04879 25502.57941 36232.06454 10458.03294 14764.86876 15961.88881 75055.84538 50140.78079 4075.223112 13143.87652 7932.211638 11707.40662 7637.208164 37288.14365 3867.213949 764.0972514 8803.286314 41527.32708 45993.12197 25949.61283 32226.88027 29957.54392 15922.77725 14202.35687 101198.7477 11049.1811 13403.67309 128269.6175 116528.4636 613090.2301 527868.9678 3963.544337 267427.8336 1202.908546 451541.7741 2-(Arabinosylamino)-3-(glucosylamino)propanenitrile 4.07813e-08 3325.4506 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 267.9850914 444.604295 131478.6836 112030.5306 67586.4444 137571.9282 57318.55704 66571.18296 50148.61706 59049.4468 106850.8215 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 86491.96579 93835.20956 87930.84157 57843.58247 117612.7856 60387.2825 81481.20696 33984.84525 82083.17261 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 347.8988617 6683.866684 103493.6383 63.56088968 106890.6472 596.9264736 gamma-Glutamylphenylalanine 10393.73082 24150.71917 7511.219391 11314.95426 5367.036099 5893.331169 15013.65009 23422.10778 17118.24934 6102.383289 6198.701018 7712.425853 6334.91138 4353.020622 6612.246897 7104.305134 4687.452511 4471.221781 1261.19031 1992.079356 4967.452853 1121.650271 1421.318388 1410.486926 1643.883085 2723.544483 2049.706896 5491.048673 5448.309861 3838.30961 6207.165241 3636.827323 4354.405416 6567.950644 5307.98231 5915.426048 3426.558932 3944.314656 3513.246517 3463.276173 1479.096736 1781.466044 1480.91146 2544.841724 1463.391975 1857.438372 7870.097588 3471.179571 9678.393551 19927.38206 3469.9387 4032.777686 4940.277403 3812.475337 5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide 4.07813e-08 2193.010464 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 702.3693168 411.975958 4.07813e-08 119506.319 106584.5468 102617.4137 125786.2716 101250.1457 106340.9676 81823.89898 74516.96505 116320.4593 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 136222.4661 114583.9949 133505.21 97697.85418 178257.8757 141949.9314 127007.2418 68129.82375 132143.8029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1038.056466 4759.937517 145681.292 184.789879 128732.9949 1615.839463 Brassylic acid 47499.55838 41352.7256 47879.90063 56838.83079 62115.40076 40232.57652 34617.43928 28103.96021 42761.3047 8832.913805 9150.658568 9116.658931 8124.606368 10304.47624 5347.99638 3489.339625 5939.076145 7829.219082 65352.68454 74453.23893 58964.23428 60780.47619 124754.1643 50645.28019 44361.85843 50160.89934 40659.63744 4437.92482 7068.402982 13653.35377 4927.380067 10151.45894 7356.187728 6654.785701 6203.705005 14213.32558 36187.34357 73852.49654 45230.41565 66419.93991 77028.53899 97304.07549 48722.33312 44252.30607 128293.9452 78768.29479 50980.24718 56294.02071 32168.0652 37801.73968 5943.726096 42098.25947 7420.581182 53166.97522 N-Ribosylhistidine 2896.072529 4666.197222 1238.869368 2015.646828 1078.772845 1495.29393 4061.383683 4279.442675 3317.956905 115949.0513 112820.8563 62578.5217 127498.9554 68910.62725 68403.4778 57950.66853 64870.8378 119111.8668 1611.934504 336.7039208 922.7355666 985.0936841 723.822796 1303.45479 952.8990111 1390.996789 518.8280368 73700.84798 91465.32965 103970.4314 59966.33912 112959.5575 65254.16064 63248.20278 30530.37541 101898.2411 1410.055687 1254.518226 1244.977264 1068.012229 4.07813e-08 1028.583248 424.9254267 1338.478498 10.25055921 1607.466378 3554.023514 1845.126022 3727.654448 10838.65722 99962.50436 2483.260112 114558.8052 1454.503259 Glycylprolylhydroxyproline 2456.572162 9707.714217 913.4714993 1279.437663 608.75681 733.8660358 3897.999679 3743.279097 1640.839649 28377.56989 18717.84958 6547.404916 30838.22453 4089.272086 17523.69434 3151.262812 19558.08869 21863.90071 1430.819883 1747.27006 673.6195166 569.5987976 1834.214082 1299.125007 1693.281074 2154.47388 1447.377697 23845.8066 25394.08393 4452.379663 22091.26206 23389.71151 13502.38586 27001.36765 6531.550735 5511.462239 5752.648614 1426.584926 788.9146907 815.2313385 851.8729007 1514.395254 1035.817486 1124.752584 1263.438406 880.9986929 405.6060261 1418.98161 3553.469212 6541.841644 29422.55836 2959.564464 22632.20931 2807.5462 Asparaginyl-Phenylalanine 4178.486062 7172.878314 2734.128893 5420.640863 2115.008915 3178.818624 4771.800816 6541.110315 4940.272717 5075.535979 6571.525586 4993.823798 5824.633919 2084.995848 4949.059396 3216.925045 4663.222725 2105.643392 943.0195518 1308.360789 2860.362447 917.2142966 860.3875738 747.8480779 1047.546606 2095.074901 798.4627544 4754.34151 2350.621634 818.1002049 2828.742063 1166.377154 3383.730999 3766.661551 5689.529138 2064.631621 2170.471542 1666.202769 2491.687526 2221.49697 720.051477 860.4347295 253.532583 1827.759941 1025.780942 541.0343505 3195.990051 1359.499698 3537.45239 14759.82831 2511.377451 1226.326971 6781.276932 1234.486219 5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone 3544.341012 4274.578828 4932.312811 13190.73757 15763.41262 5700.609458 4706.095306 5636.380662 2227.899703 664.8196757 406.0796797 405.9537013 766.3786242 131.4297454 382.4698855 143.5818989 3012.351621 670.5941545 3524.519998 4280.118178 8570.735454 8513.014515 15791.03349 5286.055145 8976.228064 3736.599708 8435.403173 611.4656803 265.3506399 632.0579802 474.5034962 160.8589997 564.5905369 1123.145861 1431.47301 155.9588999 5159.636236 5701.162911 6230.176341 10721.55587 9833.323494 14338.4638 5416.411782 3487.166147 9644.228345 3094.08128 1179.333975 4163.570551 7832.618603 6841.616324 1613.756877 7163.684873 227.3531522 6821.477184 8-iso-PGE2 35145.68181 24740.66732 30910.03419 31172.65088 33588.90766 38736.96247 32486.69242 35987.1356 37304.7969 13341.63216 10256.25305 7914.874621 14162.67591 7471.477245 6711.570757 3209.871377 6095.566459 12599.68673 73487.89993 76534.57537 57319.81437 72417.20401 83757.74579 79564.60861 66554.09351 70164.23838 68212.93628 9923.743853 16456.29509 6660.68229 9239.6709 13658.19274 9655.983655 15316.21788 4295.541681 4078.343337 44726.57895 65693.19455 53204.3884 59346.24229 80115.79785 71613.93736 81526.2443 60953.74956 93887.21856 61437.40142 45872.75004 55644.27927 39553.18411 32741.08264 19082.02451 51188.04754 11217.20962 45873.8858 7'-Carboxy-gamma-chromanol 2983.89709 7142.469386 2263.092981 6311.359777 2374.144867 2858.920188 4856.883439 4.07813e-08 1850.489216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7213.392284 32241.4939 6126.929816 24826.59023 29577.20883 11091.42076 6718.67153 751.660024 832.6425371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4015.114416 39917.99431 7731.635488 10797.57454 28428.60582 30538.35784 10493.1632 311.906026 1401.047544 18893.5085 15864.17251 24513.64958 4241.642852 4843.210379 4.07813e-08 10293.4598 4.07813e-08 354.3421425 (1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole 3028.86297 11251.507 2387.462943 3048.79086 2777.532774 2467.964085 5862.54284 4697.277614 7257.234466 70751.5766 60368.76713 53463.6025 72990.48599 37866.55759 65110.93223 48689.01506 56323.05263 57416.64447 3192.213953 4588.860039 3411.741117 1927.693272 2038.395478 2866.761491 3535.770628 4777.281634 3437.777236 82716.55935 70887.34868 36827.26305 66957.63814 48524.97178 55838.8291 62652.98144 60933.01019 50630.38391 7813.664114 3017.99555 3010.234988 3052.612253 2728.490171 4075.344467 2127.345493 5114.433662 3522.20107 4458.836317 4285.41339 3506.817733 6479.294346 12046.55686 73986.88425 5042.841367 73891.00009 8089.905224 N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 4.07813e-08 185.7380909 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 629.4290332 4.07813e-08 4.07813e-08 84933.96506 60033.24575 51534.93363 81722.83649 39814.77664 51000.99246 25644.45227 21035.91353 65390.95127 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 58097.27086 65875.93444 44445.46806 46714.17622 67482.15722 57043.60883 79723.93224 21765.52539 45871.71749 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 269.204746 2761.192548 74440.96223 4.07813e-08 56805.92206 1017.375381 Chenodeoxycholic acid glycine conjugate 5.771368702 1627.216879 779.2622748 17.01474993 433.6030313 39.45701232 27.92690845 926.1487985 3084.750598 61760.61795 85688.55973 194873.4839 46994.48015 336864.2619 371297.5033 343889.8358 283604.7225 84671.9097 15.26208552 4091.696007 967.382959 713.1847056 26.50036336 88.94154301 23.48482147 3.972621141 22.41368352 171315.76 77958.41378 61339.70637 117476.7235 77199.91168 114845.6475 149790.0338 237582.9563 135993.144 395.9149066 1228.355701 3.071921347 3.411755853 545.1906514 8.584219173 56.36048683 4.07813e-08 566.9617562 319.7142338 3540.890738 1251.300491 2023.919502 575.6939958 40098.77623 2816.100128 28742.69332 1666.317139 D-Maltose 676814.3082 546761.0378 1149871.448 1109890.911 652624.185 1016096.275 1051732.787 1065092.449 558655.0415 458223.6455 312367.8888 126159.4923 273575.9605 240003.6424 270550.9472 104556.337 88800.96943 71165.98924 378621.669 231813.4632 295139.963 399414.9442 231107.5555 250449.0681 448167.9501 157667.7936 294162.7303 241636.5774 216953.8041 154105.2816 261176.8786 158503.6278 206595.6924 596281.775 162521.6363 197339.7661 463474.7374 534823.0309 517409.6922 365281.7285 352288.3181 175804.543 195082.6114 194006.2142 221453.991 169112.6601 158960.3512 339903.193 328102.2046 462162.2342 134129.765 263546.1731 289301.9925 399125.8679 Glutaminylglycine 17219.4873 11576.6172 13496.69805 8712.148253 10908.99651 14031.78077 11075.3673 15102.33201 16730.40075 5679.478698 4857.493519 3116.101534 5473.336961 2931.022845 3851.510252 2349.191453 1758.064718 4867.374573 20587.39814 18326.50194 18225.92639 18278.03067 21523.51487 23027.00313 18153.90532 29465.14489 27578.35465 4644.635144 4723.387435 2949.976165 4541.031987 4771.609327 4209.923167 4957.692317 2055.864673 3380.668 15869.84177 17193.66661 15966.4121 16713.31368 19609.89263 19547.14534 23490.03832 27876.74792 35233.00237 17780.81647 13632.64936 14804.70223 12770.00697 14048.19426 4997.384538 14975.09469 4300.845451 16786.46971 2-n-Propyl-4-oxopentanoic acid 4567.80345 4391.78568 4812.259189 4700.653501 6083.647681 3579.736817 4035.849291 4149.819901 3378.662489 3284.900669 3363.102616 2906.125537 3267.349174 2996.549523 5285.876384 2216.20593 1737.233526 3131.98555 5548.511061 4543.58259 5316.617271 4637.431627 2739.743483 2297.015845 4384.968441 4040.575126 3786.989702 2043.57672 2578.766831 2729.979675 2474.485238 2955.014513 2988.034392 3192.114356 2178.913954 3077.684093 4470.020498 4627.199303 4295.575779 3054.724518 3853.341697 3811.405814 2261.865546 4459.928955 5242.853218 4013.321957 2746.975122 3213.695055 4197.220422 4556.183413 2645.274459 3641.523908 2785.061753 3098.403212 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-2-one 24178.85697 15283.37446 26087.57347 31557.95009 47517.85603 37442.75412 34788.10621 26293.87053 20173.77145 575.7220245 1791.666459 489.742942 367.1090234 697.491353 407.6728625 133.837042 1334.986673 2572.26864 70917.92765 68033.45835 46411.31063 46733.06303 81949.33177 79768.69282 60606.4237 43036.76061 46537.44547 240.5439269 175.9124275 420.4542588 1474.775055 701.2300559 80.61513288 358.8361291 479.8407422 443.2359061 23883.12012 36580.37287 25622.55236 58096.62426 61860.79629 68377.65883 78088.7694 42430.41862 55831.18648 54503.94221 41028.90164 35479.10856 33943.64516 22550.64418 852.6146455 38407.82784 349.1585179 44943.91554 Riesling acetal 29085.92144 27949.09637 31062.82421 32338.3909 37926.06199 55046.70575 48523.87543 17493.33222 21533.80254 2801.294456 1308.714234 1374.747909 3858.43041 1930.391844 2033.478256 784.8551519 2.147788577 1896.660058 39804.46568 45265.06829 37013.77081 42423.50457 61726.03125 51761.8953 52739.73001 21248.88398 27971.25745 0.487125309 1175.968732 1866.988425 953.4440672 2101.927864 5904.371966 1143.173449 847.6184557 2453.258444 23092.13131 45744.64629 34847.39523 32495.63923 44500.7966 59879.19122 51548.24013 21978.47622 31955.58191 39693.8606 28637.70605 40351.21445 21601.00618 21016.67693 1971.965619 34012.09689 1338.129375 22788.36992 N-Acetyl-L-alanine 9255.727944 9318.136553 7612.448456 7989.038889 6912.107365 8817.247922 8986.770771 13356.57254 14258.89734 17404.82408 18911.21618 25028.38694 15294.92206 9284.110626 26352.22859 51403.51219 34462.01478 8038.657801 5801.148299 4696.550943 4605.836301 4010.76065 4282.192185 6737.213715 5733.226374 8209.248411 5675.745097 86581.65656 26852.12504 34820.94465 56288.31813 39513.73334 42971.19802 27022.65186 66097.86629 29692.8274 12653.50825 5915.48389 6003.708299 5195.078258 4111.869329 4429.442961 9223.853957 9083.589295 4501.715465 9738.735849 7156.58996 10209.56564 8174.188501 13036.06417 26118.28667 10469.18664 42185.90236 10795.3656 L-Phenylalanine 13449.68466 15339.343 6806.204864 9481.562844 6073.890371 7101.106244 12224.74202 21405.85631 30433.75382 13090.93239 16010.09809 19282.05352 14227.79863 9735.027612 18414.39594 11400.12327 15104.11118 24872.12571 3398.940557 3420.135629 9157.768034 1825.528627 3224.158861 3441.289211 7763.215722 3261.937002 3256.127468 44838.73395 17620.66572 11214.75798 29265.16952 14049.66896 16824.10333 17177.40909 19599.98661 13660.00217 11908.72904 3955.840861 4618.849637 5582.672543 3792.825376 2819.284332 4786.787732 3960.589415 2955.616977 7976.571773 10855.4885 11542.23546 12721.21158 16562.3866 12494.35312 11503.69201 30863.47022 9037.947842 Taraxacoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 70.06765993 6174.070654 453.4728938 35.78830326 45.27327924 52.26063533 1631.462673 12647.37363 217.1922028 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7369.463532 85.40613705 3746.017472 40.05730793 5029.949799 4992.600958 136.8492525 25788.48727 230.8387657 8.405780386 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 416.6025766 4.07813e-08 1062.296252 4.07813e-08 5S,6S-epoxy-7-undecynoic acid 126357.0742 95173.07838 108126.1293 137574.442 251059.2328 145960.5358 100080.8014 120863.7618 194103.0106 17115.91857 13530.00869 12879.24759 18252.07655 11842.71726 12365.82789 7971.88133 6686.490771 13899.70555 274894.0858 263833.2308 161827.3858 186531.5698 287449.5434 303675.7272 184312.2745 184001.2495 300775.4291 13098.11123 14924.22656 10875.56735 12655.44236 15145.21182 14241.13123 18496.94663 8433.322861 13403.5598 115460.6409 190871.5924 168716.8495 184847.0409 186568.3221 253147.6382 298585.4659 181075.7415 321226.5714 207117.1431 168348.595 183058.1863 136526.0179 100290.2699 17989.35662 191125.567 14189.73088 150002.1753 alpha-CEHC glucuronide 4.07813e-08 178.1349035 4.07813e-08 50.62075629 3.765468119 222.2201764 844.9865243 4.06197845 159.2184893 41.10157754 4.07813e-08 87.53534202 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88.23569097 2.153158483 224.2500682 54.43122049 6.765614215 85.36112196 0.631236274 21.15508467 69.56002671 4.07813e-08 68.21439684 75.66900127 4.07813e-08 631.416179 118.5918751 46.18167718 4.07813e-08 4.07813e-08 4.07813e-08 1.406878692 1.589012887 15.99140175 10.45817972 15.20817283 0.669921672 194.8304465 2.116003683 0.000952484 208.797025 4.679363201 687.6379631 292.7284318 351010.6458 124.0308783 117401.8 3009.180385 Zedoarondiol 22757.78316 14392.5955 15405.49072 15723.83442 16209.31136 20397.79047 26059.22129 5966.676473 16434.73036 312.9143268 349.6431445 404.9172343 871.22162 292.9776366 4.07813e-08 103.4777073 108.3198785 1130.407446 41002.7127 32897.1049 25605.96009 30079.05608 40715.69015 32047.38992 31374.43698 7741.052055 13307.5332 4.07813e-08 638.3219151 428.5492757 182.9255485 281.5831072 4.07813e-08 210.0366385 4.07813e-08 1030.474883 20331.0796 33300.01393 27993.26695 19971.90918 33005.58667 43022.13859 27565.75032 7793.892681 12986.99772 27255.44495 24972.50158 31461.02729 16787.96903 12031.68125 560.4097056 30147.02923 186.4957577 14535.65838 N-Acetylneuraminic acid 104947.9025 643767.1202 123833.668 188720.9245 186792.6959 163638.6926 423815.365 340756.6605 295955.3097 90153.43548 52460.75337 47289.36689 80439.67079 69760.85524 75998.97223 74228.23959 112391.7661 60413.912 134345.2609 116975.5971 186679.072 149794.6329 157940.1325 131759.1911 264177.5319 143469.0145 136409.0682 75278.22148 74193.17581 101143.4907 77642.51613 86822.06031 70241.1541 65725.50509 72472.25286 70658.05497 548275.7603 194047.1696 295687.9817 146845.2338 232198.2087 360728.2013 112582.3348 228088.8881 155969.6182 504983.6994 241683.6505 184014.4948 933764.7635 481580.7803 81972.6624 487536.1742 78891.55211 415065.4579 L-alpha-Aspartyl-L-hydroxyproline 26011.66839 21460.92825 36380.47317 35288.8465 41755.24294 33769.88547 28009.4894 25310.22752 27501.39288 24670.27954 38039.93506 21683.07011 33159.19602 21057.55936 22197.0156 15410.9375 11216.54278 26862.62181 41140.46696 6779200.451 31524.95155 33229.11893 42639.78633 47036.26583 39155.51251 31353.73052 37673.63283 28837.02498 24383.7361 27330.92984 27223.7081 33166.46771 21204.37583 28008.00241 11449.29671 17624.00023 30548.96369 34464.94041 29346.17595 39829.07931 33817.22125 37294.26388 46642.95693 31057.7137 30348.44807 50400.48248 31791.07224 32086.17159 29010.14614 33478.90232 26699.05939 32638.20487 31623.5948 36180.05102 Gluconolactone 67962.66099 105765.325 88536.31051 149536.3823 126362.4687 147108.1942 106564.945 100736.6946 79065.56303 121459.5014 106430.3343 152018.2091 141363.2524 139514.3948 82537.34251 111786.6943 58797.95195 145324.5846 83309.91378 59623.31494 53879.16059 59279.63047 72538.15709 59938.74236 77759.50854 308936.0373 87195.74964 95917.74636 118409.3318 140749.3538 106151.2243 122374.7181 123457.7086 114034.2369 76411.14983 166435.6543 219094.8839 84090.989 88095.54171 93240.43513 65519.40172 80591.04873 82397.47389 238313.1307 59006.55168 83465.8874 43191.09202 64782.76296 96806.04762 133836.5259 153618.9413 99614.15054 119127.1926 128110.5228 Chondroitin 18001.0201 204203.4822 13422.13734 17360.7301 6778.913564 18912.32098 71656.47669 91600.28839 55446.84665 1631.88717 954.852235 207.7229903 718.0988665 902.4641835 1745.175712 1548.227555 2577.531089 2823.456011 15723.98092 21227.74135 5501.407823 5805.079868 2561.115512 6871.307696 2785.101728 35800.58219 16767.36668 893.694378 3036.839889 2517.034689 1154.868213 4485.408517 1573.404331 655.0390392 980.4413514 1999.882323 10098.80019 9879.526456 6273.748951 5649.785323 7582.189032 3180.401471 9316.833859 42672.30912 1957.137321 19044.37956 24006.88614 43411.76665 64086.31298 84117.25443 2216.086047 83338.19094 1570.818043 100679.6393 Valyl-Asparagine 2010.389194 16911.61294 1768.705358 1797.599496 2163.334451 1411.254518 3517.845872 4934.679456 8083.135017 11834.02879 14021.97878 5159.393348 17088.55313 2044.571445 3584.208149 1889.623186 784.0549023 2178.515055 480.1519044 817.5401635 1589.382591 492.0308066 606.5873811 775.4457234 1572.875776 1201.309417 727.0581605 3876.452325 3340.72087 5953.756065 7151.791342 3420.672752 3173.620676 10435.38329 3527.120334 22464.23301 3778.094506 1207.010916 962.409365 1021.083557 708.2839355 997.9528953 1592.811235 1402.878588 977.8775203 2472.634737 2079.241961 2903.157015 3750.382284 21677.00358 4918.876602 2537.945736 7738.211068 2391.339743 MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0) 30163.18761 48534.90481 38188.72465 25778.70421 44514.8411 29800.72987 38674.47712 42110.68632 52662.79807 57140.68978 6423.953691 144974.3809 64977.08278 203334.0522 285272.5056 43017.75199 142804.319 414563.4776 22338.27148 21129.52976 27222.45991 23542.91289 16583.73556 10891.70312 25157.57758 25263.6724 19205.07465 48958.11878 65996.22081 10085.26373 33652.66144 16862.53768 27929.46048 47621.85809 45319.00553 39806.6416 28666.02715 17678.72235 29893.54338 30855.26237 19749.27942 18299.54617 10038.88023 20632.26564 14368.78146 63014.5898 42634.10795 37184.9504 57890.71405 34574.20579 48199.27185 34470.10717 11743.32794 50638.779 12,13-DHOME 205888.6736 212875.3885 286412.5045 315539.4859 279513.032 231266.5897 173528.6414 199098.2865 185977.7411 99458.5462 79986.81365 91729.84882 98416.52006 103881.7474 79186.67629 168326.8235 99492.34177 78936.55169 219736.5891 228386.3158 264545.5326 225177.698 252941.2804 252542.3094 148208.3153 368810.6062 198197.8007 54864.05337 63427.46249 130266.7739 88756.78754 91251.00825 79617.41948 69265.5618 124821.2093 88990.94277 119232.7598 217592.1231 176008.8749 181492.8073 245934.9982 192555.1394 258963.1378 284148.5403 339883.0663 155159.0616 138674.8892 171768.5539 139931.7032 135530.7534 57382.69738 180278.7979 90239.06173 191472.2246 Pueraria glycoside 2 4.07813e-08 3077.728237 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1834.03884 586.2937461 504.7242862 34196.10533 29531.59766 15946.25935 33335.17203 15537.37106 19749.89995 10233.41471 20187.02275 33598.71748 4.07813e-08 4.07813e-08 274.0950248 159.6557144 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20473.5639 21691.46382 14655.19921 20792.91243 23008.42022 19361.90025 26590.76308 14824.25567 15988.25903 1141.777773 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 132.0678304 570.4983108 1074.951339 27393.99 4.07813e-08 18441.20716 659.997046 11-Hydroxyprogesterone 11-glucuronide 4.07813e-08 5870.762077 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4524.830239 27987.7443 36891.41351 24121.78547 89332.7572 76476.26345 4.07813e-08 4.07813e-08 401.7936405 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 39360.46487 4.07813e-08 4.07813e-08 793.8003615 4.07813e-08 19982.18694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23452.15326 1125.256832 7705.460924 56751.0122 7710.922078 3732.396697 263206.5386 25687.55596 3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)propoxy]oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 0.45021256 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.308952298 18.1301601 3424.21941 13.61614623 13.36486888 19.33857041 4.07813e-08 2516.818185 99309.65923 4.07813e-08 4.07813e-08 4.07813e-08 0.251334493 0.200512843 4.07813e-08 0.278519281 4.07813e-08 4.07813e-08 4.07813e-08 33131.571 4.4196643 3426.265978 4.07813e-08 9758.829614 8198.67076 8.926094094 15125.40484 4.07813e-08 2.24621869 4.07813e-08 4.07813e-08 0.519340043 0.375680455 4.07813e-08 0.004325111 98.46613533 4.07813e-08 4.07813e-08 4.07813e-08 0.268336456 0.301258334 4.07813e-08 194.4813325 4.07813e-08 1282.110526 4.07813e-08 Obtustyrene 13456.66876 9153.737647 25616.90211 38952.40223 46533.20808 23556.38954 20630.64317 16325.50941 29604.67402 1184.684551 4351.809136 1003.244598 1005.627486 872.1789214 1537.515306 402.7771869 474.0797862 2911.473609 70705.78544 81571.87464 38026.87265 41895.6504 39737.7141 77840.7978 42632.03466 95819.49623 62491.05047 4.07813e-08 68.19512516 4.07813e-08 95.27766201 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1219.962195 16029.07647 33552.02495 22440.53538 31027.54825 57887.57971 19866.56391 61789.49115 73022.57942 76262.07772 64411.72228 70640.86431 34737.39869 22917.99644 12014.5612 1853.797956 37251.91428 361.2726433 51489.62938 9(S)-HODE 4915.229633 7313.912455 11574.90483 9569.997713 14363.17096 10595.60362 5566.129042 5752.856026 10466.54459 55499.00813 38513.26774 19042.96617 40355.80285 17004.6699 32101.5493 56870.77647 19140.39882 16109.3235 12045.2794 13177.29518 9946.02934 10418.47695 6040.699241 10365.92151 7506.820934 37104.47465 8750.73637 12445.82818 17028.90267 18919.65831 23980.98227 12984.70396 26466.07834 22212.06911 42566.51062 16864.10459 5354.388448 7757.365474 6227.107618 3569.768879 8095.663156 4338.108986 11029.82379 32410.84952 19913.94752 8070.528427 13626.73781 7365.447113 4564.86552 5968.930859 10799.1326 6633.956932 33905.99582 6799.999475 6alpha,9alpha-Difluoroprednisolone-17-butyrate 495.2728073 5288.854131 4.07813e-08 4.07813e-08 4.07813e-08 135.029368 1093.22462 673.0028013 1109.034527 32792.55339 25169.69997 13291.59266 31348.30562 5872.403805 17360.98553 8874.243496 7324.008935 17194.14974 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.54251028 4.07813e-08 4.07813e-08 441.1662147 386.1817334 20228.96802 21423.7306 10257.75607 18864.50256 17003.98105 9529.220796 28950.1992 9748.073107 11468.35105 4.07813e-08 4.07813e-08 1923.285108 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 717.0650221 4.07813e-08 4.07813e-08 4.07813e-08 116.4518103 1988.101195 7332.738367 19985.92811 651.8150311 22284.44635 134.8642308 Acetyl-L-tyrosine 3465.384252 4264.709044 2702.542936 2413.2914 2135.301431 3577.011028 4293.676342 6540.960126 9195.107764 9614.130255 6644.583221 5497.713814 9326.915482 6779.69336 5775.419787 4100.496058 6324.871376 10674.72982 4046.484979 3577.590496 8645.511799 4358.90016 11252.93384 6318.163247 6522.176796 7607.59829 5111.121145 6216.25166 9502.757922 4699.622918 8396.052795 6462.912555 3365.19171 8039.526962 5271.550552 5994.014096 9151.416006 3639.44396 3482.356791 4616.610958 3769.84659 4924.88737 10062.97328 7409.300291 3915.723878 9426.529566 5101.876451 7432.391519 5718.935138 9249.781639 7223.318551 7643.876658 5693.377216 4901.274081 Aspartylphenylalanine 818.7394382 2248.234476 655.9096983 1193.867851 1074.560405 696.8841382 827.4161695 667.4924667 1506.725516 44630.37093 34509.01204 21983.05031 45656.39818 22351.43144 25950.03553 20346.19754 29234.13541 43909.18623 1113.812019 978.9740073 1893.0639 1016.389987 922.9172739 598.177907 734.651903 1622.725319 1324.587681 28871.98867 26751.87003 29261.32254 26448.31447 34674.77805 19220.75771 31045.31078 18160.41108 30359.17285 654.0142682 699.4856852 675.4833227 1309.071091 1200.502376 1142.300792 353.8524579 1736.70472 1654.77376 872.0787694 511.9453896 1287.149777 1414.593952 2766.734668 33133.89005 1318.121613 29640.27967 676.8949978 gamma-L-Glutamyl-L-pipecolic acid 15923.10677 13936.81646 20795.08793 20503.45884 22490.79649 18217.36031 12707.7681 10971.38358 12117.51578 4622.776701 4054.417333 4027.981097 4484.758016 2998.252124 2164.944708 2543.549163 1693.178185 2262.758443 21512.74754 17564.86354 18492.88155 18381.02838 13565.81311 11552.01171 16557.36567 20374.47202 18870.30742 2879.174685 3445.225962 3023.027339 2747.912374 2795.773248 4217.338409 3808.929222 1754.562833 3189.910452 15972.75385 16487.59121 17753.63043 18259.87816 17134.63305 19211.58816 10814.90604 20554.13667 21990.54101 18969.89002 15492.02912 17409.25141 16640.44336 16670.96171 2772.98981 17615.33196 3821.675436 13161.19847 Helinorbisabone 1161.743064 1305.905566 474.7360504 879.3408062 646.3847646 810.4532256 723.4019445 1566.959001 1742.888257 96.43857291 72.50121319 289.9388065 27.62178799 204.6509276 73.9606789 30.7097939 207.6013314 971.0778461 4446.109039 4686.512367 45046.48077 4626.474179 2920.558188 2472.103317 3378.442447 2327.597411 1733.453537 228.8517984 216.575568 19.53961266 394.3091217 250.0787092 349.7764215 1518.964583 5714.729498 810.6941607 1562.603097 1372.696096 1330.53179 4203.169831 1968.95978 3427.923468 2304.969111 1726.637634 1659.761123 627.6394253 1116.799459 1096.059476 1035.70964 645.8141749 222.880479 962.2825957 159.8703059 808.1894137 (S)-9-Hydroxy-10-undecenoic acid 63167.93645 71232.34629 77229.51827 50279.27849 109967.5772 46021.33684 45790.46586 49124.17541 73537.31824 4892.084796 5551.998379 4345.40619 5808.860697 5723.203347 8078.097054 3122.326056 4435.592129 3588.127285 105976.4174 65754.25632 91064.41664 71560.6703 44559.24208 40835.71608 36784.6434 60691.03655 43126.26289 2823.607578 4043.56983 5482.034111 3013.417792 5874.128229 3998.492482 4425.997525 4785.658865 6152.108134 62992.4126 59080.8595 72098.04863 39158.90625 60631.59445 67407.60985 38792.87075 68539.13391 89445.15784 40830.91823 39189.82647 40043.02499 38434.83186 46127.18281 4619.156249 50708.35176 5045.229862 28737.7729 Tetranor 12-HETE 25423.77755 23410.32056 33259.61344 20968.88313 19078.80983 22626.29958 17364.84917 19747.26181 16824.98673 32307.78486 8275.88436 1963.961551 24216.44903 1099.664951 878.5345838 5009.758931 296.4152106 1830.645398 29277.63947 32532.82573 34002.91974 35353.69777 41067.29432 33330.99175 28950.62011 30035.12409 22218.86754 8270.666332 18078.3526 7131.927337 13755.8149 7952.428608 18082.32365 7280.713809 6920.891124 5002.943983 32809.70069 43910.38291 40603.08207 39103.54496 45331.64789 36109.41464 40556.42808 39048.41119 61288.64032 23340.54732 12749.99731 20036.43423 21933.4938 23217.53559 5443.858679 23500.03843 14283.77967 14718.82186 Threoninyl-Leucine 49965.27347 63963.95725 35822.24843 54015.15114 28623.06902 32393.62968 56385.79835 61746.73935 29446.87345 7195.878146 8676.249969 7252.888083 6362.532749 4597.665764 10253.79875 8563.807054 9942.468444 7415.261459 6754.53169 6375.955027 24053.89597 8597.226812 9785.415257 9262.156316 11272.85418 10715.68741 12750.96213 5136.949971 7695.447895 5396.608853 9329.203582 7304.42789 6814.654321 8892.247345 7873.992067 7071.288986 21546.70419 18806.7452 27942.3537 23234.75559 9819.788018 8235.79263 9178.676695 8243.430171 9744.240917 8163.367218 15480.30816 10644.80841 28601.18653 72988.15375 4803.324156 8142.444748 6908.159798 7063.456021 Isokanugin 173927.0027 160969.9927 156824.5079 164801.7139 170845.5269 151243.8082 142258.9714 149039.4577 162196.192 129353.378 124392.9461 107786.7327 132731.9774 153710.1944 113632.2496 159362.9495 112507.5192 146655.4225 112153.8421 123022.1929 114823.2328 115280.4727 108666.1131 115001.5751 119087.8895 136765.7474 117872.9197 113684.563 146179.3036 143153.2256 163841.5456 119579.2601 127268.4098 121119.4403 135466.8159 164571.0604 135800.3534 117442.3983 116540.2186 110199.4002 103331.2345 108379.1019 122813.8177 139418.3256 120423.8855 147077.0706 140285.0274 119130.8403 131409.0219 120762.4068 112484.6957 121774.0047 144737.5317 149237.8959 6-{[3-(3,4-dihydroxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25.31762987 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10525.10126 229617.1814 5924.445513 3126.3345 38125.34498 63917.5407 497453.7681 555032.7261 3039.200352 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43.15718553 4.07813e-08 21.08992628 4.07813e-08 28.59759027 340377.4645 1383.50526 728459.4974 9246.685761 458749.766 267311.2324 25079.87055 390106.1043 361967.1084 4.07813e-08 4.07813e-08 4.07813e-08 19.78692696 20.69320247 4.07813e-08 4.07813e-08 4.07813e-08 42.83482316 4.07813e-08 4.07813e-08 19.31765066 4.07813e-08 4.07813e-08 87419.28097 4.07813e-08 179352.175 4.07813e-08 1H-Indol-3-ylacetyl-myo-inositol 4.07813e-08 614.048668 4.07813e-08 80.02773244 4.07813e-08 4.07813e-08 4.07813e-08 132.8254231 277.8632681 25014.15975 25275.17854 23999.73684 19721.42072 27441.85793 9413.14687 21794.86369 12790.32101 32673.35739 330.4243741 365.8870627 1077.943528 484.9821972 0.581075338 4.988586439 212.7643453 0.155723013 276.1970376 1021.345209 17307.32604 21187.1919 9227.211019 22871.00851 8239.014452 5107.730529 6246.009212 12067.6274 588.6799464 167.8395631 64.03455365 147.0928787 0.309101591 10.02442242 3.242517929 131.1728324 139.0675318 4.07813e-08 202.4005625 0.398975152 320.5420497 144.7700853 10542.86843 351.802464 16090.44368 633.3194142 (Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid 2132.387789 5191.493036 2890.858798 5858.261056 2850.22966 2283.84714 2280.683325 3006.026432 3309.354239 16843.89542 15904.05263 36653.90995 16530.83507 33090.56938 15958.31964 18957.19912 7875.483823 19660.47588 2332.818906 1652.529561 2476.930492 2897.62986 2513.911712 2218.621332 2381.291291 2165.430724 2143.834084 16776.11039 21097.9896 30811.89691 16014.63413 23705.27942 36489.95535 28627.70758 24215.91071 38187.76675 2875.151465 1699.049517 1742.929633 1816.431316 2133.712946 2575.403572 2390.359969 1913.216121 2459.31792 2428.126825 1992.274684 2377.592614 4671.329787 5964.049869 26296.11923 3754.239536 16077.55214 3867.122162 L-3-Phenyllactic acid 275853.4095 308414.2629 199888.4193 258830.1785 195264.4635 103413.1584 353003.0083 217795.8311 111578.5039 124603.9227 131391.614 131403.2309 160682.2373 51881.26162 33646.50589 59316.18952 67909.64954 71174.07914 115631.3007 81986.31117 186448.6705 993521.3937 41990.39599 32456.84956 343901.937 1254263.915 112264.6798 130264.9731 131792.6551 104667.3977 102957.5113 154519.0197 250699.2494 39725.09596 73248.74361 100153.9582 1462469.587 137955.0252 380563.8539 64598.94933 404888.5788 240715.9427 36364.9919 656774.3457 991753.1894 48322.12684 45106.1193 159686.8519 198103.4761 346150.6692 137212.6939 91861.24441 125781.4951 68096.30963 Mesobilirubinogen 168968.3049 139885.4117 92494.60685 127838.3473 116826.3286 108957.5961 122050.288 190004.8697 232370.4158 227.2314573 961.3654488 4.07813e-08 607.8132857 942.6890348 683.2754727 963.2300013 223.5648356 2929.619892 63217.72886 63902.74204 37802.20972 86981.17014 43752.8845 56549.16407 51586.64918 60172.15238 56953.56674 4.07813e-08 849.2351363 4.07813e-08 658.3050649 975.7934078 182.8982623 4.07813e-08 1089.398126 5106.463219 73675.51554 71112.94137 49885.83714 39936.69439 85280.85889 53607.14893 47356.72631 56353.27856 61475.91965 124206.7104 35569.57672 69481.28486 73655.70073 70729.00371 2072.702566 52180.23883 235.6324211 83986.453 2'-Deoxyuridine 72924.42349 137314.1625 142237.927 74703.45382 64135.71797 85537.43663 65542.9408 317269.5009 265722.3933 19591.70097 17093.65265 51176.54992 20977.14718 15187.56511 17323.76542 9947.066949 12885.22107 19833.99758 165068.1864 122811.4223 108511.0448 55530.41373 62359.08162 139495.7259 88436.90565 36850.35327 59439.80837 20052.20598 18891.9837 14565.37582 23280.22248 19944.62748 19631.49526 21725.57259 12634.63147 17480.40312 65349.48715 89596.78631 81158.92539 151295.2942 152777.8855 93836.55044 257410.5991 58691.90713 40861.18326 478923.4662 162768.2045 430773.2831 250797.641 340806.6478 21300.78186 308819.3194 32040.73273 131012.2071 gamma-Glutamylisoleucine 71944.97715 159118.2944 58035.40162 78015.17664 34849.34478 36105.48879 103354.23 140515.3631 116058.0402 13990.07944 17527.11517 19139.92458 12343.36964 6432.989148 15694.88081 12186.69591 11850.73439 10410.64473 6980.865886 11973.64815 27720.84174 5626.140275 7416.383178 7850.38522 10606.26546 14033.59211 13735.32361 10847.95464 12582.13823 6158.179894 13867.30486 7882.154769 9411.198639 15562.75803 13559.67836 13029.46032 18418.21883 25794.57136 29818.53663 22692.82387 7567.088332 8081.458248 6246.020117 11574.22494 7233.025675 9390.955398 33177.29706 21094.37859 60270.84999 103383.7911 5891.623126 28349.36783 10714.32199 18947.98063 3,4,5-trihydroxy-6-{[3-(4-hydroxy-3-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid 4.07813e-08 105.5907848 80.54919671 93.49495695 347.3204159 17.04747436 37.40321791 118.785453 214.6788618 11131.40748 94486.19132 12658.66963 9118.861217 16120.83112 23275.02286 216109.9707 260106.3432 4652.685013 4.07813e-08 398.4403265 463.6145362 402.5947798 366.4056453 273.1903505 668.136256 453.5505677 209.4261494 140919.4856 5763.049262 243021.286 8386.084304 171703.0648 132487.7008 15435.9945 172568.2403 106872.7572 505.4687279 185.8357758 119.9336268 349.5807992 382.5418962 350.5638808 553.1014653 305.2362835 424.9498707 203.5928984 224.5818608 391.9514002 85.78333401 228.6138711 34120.32924 164.3297338 65442.32576 325.0377747 2-Hydroxy-2,6,6-trimethylcyclohexanone 300304.6451 195101.9909 225947.4087 243611.6438 271943.2941 298841.1146 305740.5171 206361.5611 196253.3722 19697.31482 15335.16324 8031.427402 18040.78091 14763.49205 7778.376737 9016.684899 5096.237179 11107.97258 240563.4 294829.1585 243458.8109 260019.1271 308468.2322 307737.0667 250937.6979 256721.3568 289696.317 3794.739057 12599.30312 13730.22819 13269.17377 21438.00535 12999.47261 19874.79776 8362.425436 15015.60816 160080.1162 256409.5393 198735.3269 236727.996 267717.2624 264414.1136 297079.3685 249243.5585 290023.6406 256948.3813 160218.5923 236631.3534 155503.7673 109987.2472 8395.189258 190724.6985 14783.33522 231482.4134 C75 5537.198266 6140.751333 9684.024762 7032.904476 4112.592773 5169.141682 5782.181554 5628.742744 4062.287747 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 100.7444364 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4154.067197 4584.104769 4013.817295 4045.488421 2760.96333 3586.680954 3188.920069 25755.00795 2205.805494 4.07813e-08 4.07813e-08 87.83732138 4.07813e-08 4.07813e-08 70.90465946 4.07813e-08 4.07813e-08 4.07813e-08 1339.301249 7227.992102 5041.127962 2787.566698 3132.610704 2569.119087 3364.699088 26566.84834 6651.065932 4085.547589 1737.05943 4344.663606 4828.565348 2866.9715 56.95378735 3517.340586 69.90990295 5982.190072 Androsterone 3-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 4.07813e-08 5757.156798 330.9454019 4.07813e-08 3354.193777 3578.845592 8902.626701 23725.889 39.82170966 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10965.06019 4.07813e-08 27889.6891 259.4407661 18843.33577 11700.01891 4.07813e-08 18083.65023 304.30958 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3247.185419 4.07813e-08 1540.157865 4.07813e-08 Pseudouridine 80150.35558 34725.57474 149658.5364 100651.7066 84582.27616 110903.9714 65014.67958 63864.52243 96275.96975 71420.36981 87293.29256 38753.26287 60795.94249 60383.91515 57903.06876 61061.25177 60474.38356 53002.30931 137462.3086 97462.90112 157311.0196 85025.43166 224220.6742 154540.7679 120258.315 24793.52876 105092.8134 93573.77951 85989.55544 80939.1096 107015.0746 42870.86831 42257.9025 98915.44887 66699.36667 95834.94078 53390.32719 100071.0123 108374.0781 342853.5724 118819.5034 121888.6133 236739.9763 30286.51485 43141.07843 191090.1326 79899.12704 96199.61452 56891.12571 84606.31532 46377.83688 136570.1614 109041.4015 73816.66225 Serinyl-Hydroxyproline 2213.155703 4950.038882 2090.632111 3517.366573 2521.325092 1615.188863 3384.43705 2603.159783 3768.346399 20746.63119 20448.87581 16674.64989 20494.15856 12006.07925 22968.82216 21059.80497 35638.04221 16383.53838 1543.398596 1865.453852 1482.968418 1720.060136 1221.431726 1429.874423 2465.588155 2405.435054 1709.736584 32218.44 24415.6922 23675.91085 21339.59295 22688.06483 17456.32361 18078.23844 32653.46576 19022.22142 3442.054105 1600.407842 1916.00565 1765.1576 989.1896449 2162.667142 1499.897845 2790.849683 1980.053449 1673.095478 1568.18491 2329.662114 3352.669044 5237.224642 17523.54787 1818.175689 24314.74844 3582.986298 Aspartyl-Methionine 319.4430388 6015.387704 327.7859726 473.2366371 213.0543187 1416.551132 1277.871359 2407.619479 1984.160845 75721.51575 67283.53336 45328.80865 77649.93945 45316.15917 51050.13704 38845.13314 57189.51605 72140.35733 1011.5719 714.2590099 545.1250148 438.778923 879.463747 805.4826764 686.3702517 1489.286775 1119.912572 55681.36132 54290.70221 60128.19152 47282.73651 70431.47179 51311.17723 54780.85844 29931.84402 61193.71649 403.6665268 638.8518197 446.5149605 561.8260191 858.366197 1077.338536 951.4252651 2081.201813 2031.834831 817.2648564 798.9782503 471.0672247 1457.572302 4561.930175 63299.01974 1046.308137 52129.76924 1446.513939 S-Lactoylglutathione 200.2496498 91.81316669 290.4150372 104.7395376 401.3100024 4.07813e-08 4.07813e-08 75.07017813 494.0308032 27028.21869 25938.0043 17135.74382 31050.17229 16351.36928 20723.87565 12926.04894 16542.92824 28814.40066 638.3223237 586.2453079 350.751797 4.07813e-08 523.6718885 271.147054 419.1197561 271.3311078 676.9088773 21826.82569 19688.5383 27149.11162 14093.56741 28572.65766 17734.71969 22134.49953 6152.214817 26251.00508 126.8104291 81.52903736 66.83454267 424.4312039 506.2782797 568.0883418 154.1854763 301.8054202 793.8202839 523.1640208 265.9929195 172.9280169 383.4032589 1318.381656 27305.70877 234.3326084 27860.22974 265.7354017 2,4-Dimethylpimelic acid 711.3109808 1080.128691 868.2459899 696.7364483 830.8529122 521.5972685 862.1404777 894.0888123 657.8484544 6217.93044 6322.190995 5406.991475 6705.996407 4525.632993 7424.912933 3640.628882 4115.391018 7554.682159 1743.439803 1007.313797 1061.871052 958.2229462 814.101192 822.2872263 871.6181759 1322.222918 1032.813135 7193.22955 7511.976838 4977.111677 5678.189717 7689.155824 6477.758474 8429.411865 3905.079112 4525.669377 1398.399161 881.0215561 1140.970598 905.3733742 717.1252984 1218.961106 643.9990768 1732.355587 497.9022719 615.1268495 830.7464153 978.3575672 942.3606441 1477.359591 7950.936611 909.854827 6209.172152 591.2813487 Cicerin 7-(6-malonylglucoside) 9.077248333 2.077805577 343.8451229 0.722580739 124.6926645 230.6768851 333.9310231 0.02511594 183.4861846 51185.68611 43235.59996 43258.35779 48479.00351 33857.70018 51130.97387 21516.22891 37049.62399 41992.48479 5.148236113 0.75684602 2.069955584 3.582116429 0.653038599 10.69545521 2.224293207 0.2059868 2.795534896 52626.45039 66145.44257 27160.62028 53357.92136 55481.94681 58464.41346 70467.15033 27444.11772 39443.87071 0.100867935 4.07813e-08 202.6695344 5.084632022 0.326284411 1.339825088 0.008904965 4.07813e-08 1.51881155 4.07813e-08 111.7673212 0.048279684 4.234031074 341.6877436 48782.83237 0.178436385 68896.03487 113.9019033 15-methyl-15R-PGE2 31666.14543 7285.863383 29274.2629 18439.83712 12008.29803 31874.54507 2449.192048 17755.50081 29900.90225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24326.24094 13970.19783 12973.65848 20266.62827 18367.39497 19989.97239 5024.403623 12178.73966 13865.07308 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24955.06909 13484.32351 17143.48243 11814.72603 22930.75787 11313.99552 19827.05515 10526.07475 21565.62296 17675.93342 26849.89021 6627.560148 7297.394494 5191.272331 4.07813e-08 3823.314871 4.07813e-08 5774.062244 Chenodeoxycholic acid 3-glucuronide 4.07813e-08 268.292503 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 499.9047964 4.07813e-08 4.07813e-08 127.0545863 94.57614655 0.032490206 352.7568896 979.4067758 2753.592897 6189.030263 253482.8842 41314.20986 167.1895273 4.07813e-08 4.07813e-08 42.50904705 4.07813e-08 4.07813e-08 258.5861758 4.07813e-08 4.07813e-08 12351.23991 0.002219964 4.07813e-08 4.07813e-08 2920.461935 221.6382897 4.07813e-08 59793.57382 228276.8044 4.07813e-08 4.07813e-08 4.07813e-08 185.1739124 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 948.8194285 4.07813e-08 4.07813e-08 281.9126477 102309.3606 670.0743079 43430.68312 4190.883191 Valyl-Tyrosine 9276.602646 18391.93876 5366.918459 10535.42785 5718.341691 6560.914666 12268.2364 15270.54197 14939.7259 1035.996717 1648.133887 1368.816364 296.6674186 540.9661497 1258.369665 443.9681722 1749.643464 1189.478502 2003.750262 2701.054427 5832.139894 1899.463703 3319.692077 1941.000873 3207.572459 2059.02511 2333.205543 963.5275292 829.9196758 182.853002 1037.446256 847.2960388 327.0411493 665.6065248 1371.248869 832.5167931 4081.124462 4299.296917 4327.813209 5087.295599 1723.122184 2873.682158 1898.746708 1460.211459 2197.837563 1719.685853 4385.402484 2355.714756 8715.367174 14095.10644 392.1135515 1993.689309 779.8951435 2165.755076 beta-D-Glucosyloxydestruxin B 4.07813e-08 6416.596606 4.07813e-08 965.1541901 4.07813e-08 391.646109 4.07813e-08 4.07813e-08 2018.1718 28616.2791 36291.36889 21867.27979 64560.50807 47042.3847 2015.336813 324.0974069 4.07813e-08 120.1899812 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23409.72999 4.07813e-08 44.51078006 4.07813e-08 15.12379608 24836.25143 107.425294 4.07813e-08 957.8635988 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12488.66032 619.5140753 5477.274986 22779.35662 8541.241325 1402.410112 121155.1627 10822.46109 (2R)-5,4'-Dihydroxy-7-methoxy-6-methylflavanone 1609.999981 1369.793676 2283.846996 2073.662694 9531.568263 2749.408961 2560.714362 2557.533226 2323.431257 4.156275137 82.90730218 56.15525611 203.6211238 4.07813e-08 387.0296884 4.07813e-08 4.07813e-08 4.07813e-08 8374.627125 7083.667827 14095.52766 3180.461113 9459.787932 10009.84361 6027.655176 11860.68143 9067.536301 4.07813e-08 82.0917821 4.07813e-08 142.7930359 4.07813e-08 4.07813e-08 102.4702271 4.07813e-08 4.07813e-08 3802.926514 1898.949817 8243.410734 4475.473036 3276.921847 9493.564702 9726.074644 10906.63621 22574.35488 1485.083075 3812.051288 3380.233629 4160.038429 2471.227593 396.7949179 2312.906275 4.07813e-08 2395.424408 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol 76666.01569 81806.83589 82334.55072 153883.6446 103553.7664 28090.61677 25603.69806 40846.68415 35046.50474 49497.843 54779.91331 48902.4844 47407.62439 71940.66592 2891.198703 43812.89425 24097.12126 18675.66173 57925.64708 92006.92802 46714.07255 86378.51677 75521.73482 20391.81537 13864.29662 46971.1269 7712.713959 16330.56535 38577.47104 54240.69079 11295.85267 36746.88058 10396.11513 15212.65281 27864.02368 33039.47782 48171.51502 115982.0081 54807.25562 56233.75044 95261.21366 74358.50782 20214.21542 39412.8199 152286.24 16124.51642 35976.41718 54132.17444 31876.6452 36370.54586 4840.920324 41372.86865 20209.65153 60460.32474 3''-O-Caffeoylcosmosiin 10247.87439 13455.31183 13744.18098 14500.78542 16130.24653 10606.9938 8346.764819 11645.29231 15760.08108 27744.61458 31230.64913 28439.81616 24769.23452 38868.90776 14913.23094 70907.71235 36969.26398 28536.42316 11428.23882 17538.40468 11035.27026 8029.935657 6810.69684 6788.966518 9439.74493 11483.83979 7447.93178 20389.16431 26965.637 22050.89222 27339.62533 15824.81201 13495.95838 16592.21412 18309.9851 35562.50044 15064.11617 7608.680624 4174.54724 7595.651628 6082.784688 8332.299917 11738.37591 13319.52659 8481.078492 13120.34356 14127.28777 7970.82733 11825.89999 10192.92382 15836.95801 11070.41855 31847.76867 14642.7844 Threoninyl-Phenylalanine 13801.06864 20880.8825 9062.249363 16401.47588 10320.85106 8345.547739 14582.96173 19279.62107 10176.39723 2155.02603 2391.135043 2003.561474 2101.409488 1552.557578 3490.803135 1862.442776 4537.020958 2258.012121 2949.396378 5410.958192 7962.576206 5126.596633 8063.913368 6785.508247 6866.463285 5077.169073 7385.708825 2381.64416 2458.136971 1221.07258 2591.552123 2000.299234 1854.645782 3289.486243 3781.319805 1614.694153 8926.060407 7065.918843 7175.020424 8883.308066 5453.69032 6337.155206 6560.325887 4681.111539 5673.190148 5010.884284 7132.210045 4708.247208 11753.82822 29071.06405 1353.75421 3296.135581 2481.040379 5250.195172 Indole-3-carboxilic acid-O-sulphate 31795.85061 97043.57322 14119.41564 28042.87889 27573.07641 29738.90108 29369.28463 64088.89066 49707.91705 1025.738403 533.3872127 299.6826001 1667.529174 128.2888325 402.9748152 4.07813e-08 638.9148306 395.1763337 5208.589874 6084.195562 8535.045265 3640.843242 1581.833762 705.9545896 7292.321243 1187.814111 533.5988098 1273.283783 804.1590177 588.2199352 1412.252418 826.4089069 615.8438669 1699.922219 292.0107451 1055.443765 13302.33162 5059.630613 7572.762146 2185.758696 5124.806837 4980.141242 621.3940813 2091.585504 975.0994225 1170.992351 40276.44767 20242.85605 111503.7308 136968.9495 1113.91577 43396.39863 579.3774076 46360.67766 Corchoionol C 9-glucoside 4158.689472 6064.882519 2368.021642 4533.412477 3726.687431 3894.530253 9018.089982 9192.209598 7552.156772 53508.20483 54748.30157 34929.5647 50685.93852 32572.19815 32460.99517 12097.46809 19723.6597 34494.67118 7614.220875 7572.999928 6891.087723 3476.693584 7159.296566 7312.146009 6059.489063 6218.486145 6813.346469 34456.00634 35552.70224 37198.19935 29036.76793 29055.66349 29416.47783 54406.5881 19389.72067 20252.27997 4957.553382 6100.703031 5035.997754 5201.179778 5586.345986 6943.148997 5960.549856 7991.017926 10537.26146 4344.612139 6948.858744 6029.841454 6670.360699 12613.93852 39168.15369 5972.739844 38210.4778 9978.794945 Artabsinolide D 13321.9669 11138.46294 12049.69834 11282.77018 14264.79198 13034.66645 11734.15918 15129.85432 14941.60884 2898.903741 1957.856404 2985.784866 3216.368756 2178.205561 1660.834042 770.421217 821.2340086 4480.612372 23261.40224 27257.84427 68245.53995 31377.70012 23392.45443 20378.74254 20291.48792 19794.13245 22099.18756 2008.105249 2256.691756 1214.033295 1982.813311 2890.547944 2321.911323 4373.299831 4080.440786 2883.766205 16368.4648 16880.75136 13853.252 24998.52897 22378.4961 22697.24796 21680.03148 20339.38099 25615.14318 16509.12152 14501.54622 13789.49859 11987.61929 12453.17764 2486.257334 12895.00808 1777.167086 13797.46069 Pisumic acid 13277.19504 13356.0795 23109.04204 18631.68203 28644.54381 10024.72969 9682.238729 17026.34347 28342.1465 3660.043814 199.1042515 3455.930883 4472.415233 8703.343453 947.7161598 5353.835287 72.82812469 23091.57448 32393.59856 37075.78429 37276.70943 29032.76342 25274.97084 27599.43345 25216.73772 15081.7432 17137.49141 4.07813e-08 460.5125796 1056.578346 443.7718707 1026.381759 64.31117076 4550.965981 4.07813e-08 2016.937818 20389.74949 14508.06373 16845.44817 18046.95973 30556.56004 21522.82217 28302.34636 13010.19628 25986.40616 31941.78429 18265.53745 48336.88681 15812.52607 26927.07161 13169.03692 63059.76973 2594.624163 25519.42002 Hypoxanthine 153640.7099 132834.4545 174662.1684 176766.5011 184273.7752 184168.0095 154457.7376 239996.1671 226715.7654 9336.68588 9694.943296 5814.136289 8161.540716 14738.08368 9655.094211 5550.277515 13377.4428 21300.91594 99262.38762 117433.2823 102487.0903 84642.55227 136585.2655 113267.8664 106935.3307 59156.97555 130715.1387 10726.57775 11510.30013 11917.67042 1778.302521 17845.00293 10404.44109 3627.404268 13035.03249 10357.90138 72325.65854 124256.828 140446.7944 128694.686 118791.4077 109219.7114 128986.8359 88978.74804 45428.17936 151815.1278 98634.25464 155046.1331 142745.5705 135647.5704 6792.188309 150753.7105 1203.685631 163722.0978 9E-heptadecenoic acid 7703.673691 7191.443391 9782.589028 11777.67172 22156.17505 38127.6013 11229.09946 9653.657375 30667.03213 7538.053145 5625.589519 5311.290797 5936.007956 7919.651171 6525.522363 10723.51026 7586.534235 8157.090942 43669.05336 89394.6019 14771.18125 13404.52427 16839.64916 100496.0465 44638.38063 18053.1543 43700.06565 5880.197081 6234.711345 8064.122928 9470.198069 6104.188915 6148.789374 5269.727615 8334.453117 5907.179626 4953.993642 25324.31175 8983.154165 5925.257675 12385.25023 5716.86697 88408.18006 19254.22037 14954.44078 158831.0485 118108.1946 45882.06072 7077.176146 5062.622243 4532.915479 30821.2465 10501.68066 45790.81891 (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside 8435.009536 79384.0871 6217.854599 14532.11896 7002.543883 4562.405035 23246.50129 43313.60702 16392.61941 323127.838 279051.0715 205073.6712 292840.6817 231963.0506 181816.844 144209.1348 160086.8514 133818.1322 2341.040762 2510.14122 3842.868226 4397.248343 883.2547491 640.5071956 8163.755606 4005.368112 3547.217194 154772.8044 266894.93 202735.0016 143408.9002 176875.0304 196021.7338 377492.5008 140225.8401 94832.84364 21186.19521 4974.818818 4534.919568 3021.817137 2393.28288 2955.214458 588.3556945 4865.153442 1948.956022 804.0780902 2625.064793 15181.29102 40756.93557 44604.38167 114618.567 24279.78474 210277.9496 42689.34739 3-O-Feruloylquinic acid 156.8957439 50.36412121 186.0163718 355.011365 180.7926229 191.6573385 342.9226202 177.0234699 166.5912528 15412.28779 9968.208853 4887.988734 14331.90664 3021.884419 9250.228892 1951.663353 2611.170133 13245.65334 689.711205 654.7642131 605.3188076 414.8758843 473.1236146 302.6319449 645.218711 449.6604378 461.2181816 14635.78296 10770.69748 2489.37712 11451.14333 7429.346425 9603.094879 17504.99585 3975.085214 5336.275463 272.0794778 390.702737 359.347866 222.1433526 270.8405248 570.6196076 392.8202648 645.1784648 1206.379081 255.8512054 271.3232058 192.4593634 438.6863099 318.4343789 12534.56491 198.2224147 12739.68202 335.2010918 Tatridin B 83.11880735 381.3745266 187.0278918 73.81054591 206.7692565 4.07813e-08 105.7026773 143.6056422 413.2835687 699.5425668 122.0689363 482.7842989 613.4269566 501.731338 175.0568659 72.29049039 455.0641801 2682.867122 198.1641388 52.57808462 367.0807412 775.7759956 134.2412735 178.7565026 124.6570151 67.27544119 4.07813e-08 156.3068262 616.4161798 99.22082995 993.6384429 336.1396214 471.3040885 2245.998269 17834.9552 1323.869997 312.3237 107.3656494 69.29264301 4.07813e-08 316.5058113 112.648331 61.34838411 61.10944332 4.07813e-08 62.47574272 70.50597414 190.9311477 162.0736838 222.8655418 518.1742921 68.77005635 1177.2047 75.19665234 7(14)-Bisabolene-2,3,10,11-tetrol 74690.36373 46220.1502 54040.82985 62398.84729 83633.97194 27524.42391 20014.56757 48334.98602 23750.34973 13882.05278 17670.4835 19337.76667 16074.23415 24253.53216 1235.7522 10659.72013 4.07813e-08 11806.40042 69495.90748 62489.98509 48455.88561 71856.24219 155641.8133 42742.03931 28981.96863 54815.82475 50142.23108 4.07813e-08 15384.00921 32956.64204 6133.749085 27471.33881 4684.700402 5613.359609 171.1765889 20326.71473 40148.79333 85033.89461 47628.05668 71028.92584 93310.04067 112569.4913 45179.1038 50234.89005 180645.2003 30595.55663 46608.81744 35149.71512 30444.41052 31412.53962 3443.472348 45308.71789 12053.25253 83025.21347 3alpha,6alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid 267929.8922 333260.0358 283174.6243 98379.81239 129118.956 314695.6569 111957.4511 337141.7584 379661.4865 50960.86305 7629.229706 201020.9129 54632.54859 336379.2937 405146.1338 96534.40828 554083.4691 290569.8347 335003.7057 213900.2081 321834.5543 284162.0249 114889.6236 70776.46335 95016.42744 55545.68527 84941.48703 129962.778 139686.456 20843.86222 427716.0309 174176.0165 59691.74381 295036.2499 324394.2807 117576.5307 225937.9369 136396.0146 356296.9126 223052.924 137142.6732 199313.7213 70933.82679 47111.34985 89305.53926 662983.0853 1244955.709 381141.954 488191.2004 257721.2653 184354.432 450384.4395 37504.68062 206623.5961 N-Acetylmuramate 22200.55536 25862.30258 13399.48772 21812.0015 59549.23341 34490.40202 28966.56089 40048.74336 20159.37627 4.07813e-08 374.8358298 4.07813e-08 4.07813e-08 4.07813e-08 580.1609798 231.0324562 4.07813e-08 4.07813e-08 25909.61031 39722.84201 20930.59408 23820.43588 21034.4921 16457.27926 27913.24983 13614.13702 32329.32363 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 554.969697 4.07813e-08 4.07813e-08 42712.21993 45796.63806 16290.35669 18383.08344 22373.39136 42633.50632 13924.44619 21004.98474 28000.81042 41541.73615 38624.722 47723.75198 55920.19777 23090.8411 4.07813e-08 47898.7317 619.5601784 48502.49721 Deoxyguanosine 12807.09254 41213.29189 17071.21398 10404.06983 15026.28668 12310.54869 8526.536906 47100.40164 47317.15368 2707.632707 1920.503694 54955.94559 2639.704955 5671.231975 12687.02805 4878.323746 9395.303682 7550.830762 59960.31049 27124.86852 19586.35237 13944.15231 12796.04898 39917.29297 12206.21993 9667.411068 10141.1388 4778.966435 7174.428277 2217.867224 10989.37802 3099.113223 1406.501452 2159.100265 12362.33735 5487.899673 20529.98395 20313.83759 17802.19484 25907.76159 19231.67588 12686.6314 56114.08879 7894.237944 7339.916991 65245.58176 38256.5607 83240.31445 50970.74453 79729.87417 3560.040069 42423.41651 14929.69224 11403.02517 Valyl-Glutamate 3643.830844 4221.243936 3292.298935 2118.04601 3464.183475 2253.246356 2398.773065 5924.417068 9093.006628 26935.8725 19301.99733 17468.7745 25263.50906 7847.00252 9167.823572 11886.96343 18502.63182 25410.54299 2360.296185 3617.021396 3889.980553 1314.323148 2731.946309 2445.422277 5820.870537 9297.383435 3682.831938 24677.40352 17661.4141 12880.16458 21349.11267 11518.91113 19598.58839 22991.86893 12615.22185 18599.74091 7175.088167 2229.612094 1930.432375 3123.654436 2841.626668 2268.941595 3481.70746 9957.494742 2578.1088 11079.65425 6521.340926 4918.130897 5048.656981 6296.223357 14541.49231 5705.382491 20929.88542 3881.863553 L-Gizzerosine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 369.9434649 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5093.659638 6452.2673 667.4087952 2506.945414 9831.786348 13334.76191 6592.206712 4114.722981 5714.062011 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3322.378684 2172.23795 290.7003478 1891.878914 4348.734073 6227.018642 12747.44727 4633.22016 3928.070538 7004.186339 4696.495044 3236.058316 1486.880087 862.4866151 4.07813e-08 1956.076996 4.07813e-08 9154.298246 6''-O-Acetylholocalin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.690659844 4.07813e-08 4.07813e-08 67.95672713 4.07813e-08 9237.566778 80591.28818 19539.01704 8062.144734 40840.58717 1839.698339 24552.13544 3146.817708 32723.80901 57.62655756 4.07813e-08 4.07813e-08 4.07813e-08 7.058238384 8.7913003 2.692156098 78.8770929 37.39450463 405.7416927 6620.898674 26454.26252 2523.255768 14190.27456 7464.142432 953.0696003 842.6676928 4931.530433 4.07813e-08 4.07813e-08 4.07813e-08 7.975871901 4.07813e-08 8.876463097 4.07813e-08 14.48375368 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 159.5178124 197.2032402 6436.480762 70.2007918 11186.97432 4.07813e-08 PS-PI 126.420485 996.6643385 4.07813e-08 246.5670801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 140.3012428 3501.925894 1910.914372 4852.73077 5733.016702 8341.7406 1881.408546 207.6365299 1627.971594 0.421009733 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15572.48399 4.07813e-08 5.421742818 782.2115928 285.8277809 417.5377245 173.075463 653.8243103 2304.069915 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2335.282269 417.6590033 3422.932242 32122.72882 1847.174161 773.7591981 26026.99568 1594.466124 Undecanedioic acid 16556.76109 17432.7478 14090.52815 13266.98273 28703.25595 10563.10508 14428.74965 11275.48249 12172.43728 14089.19272 19220.18449 8949.040315 15254.70389 9591.823724 39573.57885 8889.968547 6560.793997 8469.835278 16524.77597 13782.70997 14503.82437 13042.20883 11115.91625 8749.508697 11048.22509 11439.91988 14140.10507 6121.788535 8748.921629 8123.134976 7103.614997 10484.09013 9790.515175 10386.15862 8372.113767 8121.05679 12286.87316 10207.22622 11168.22992 14511.37035 12728.34816 17470.17523 7822.049691 10868.23024 13456.56456 7203.794735 12760.84079 10614.99555 14618.95712 16200.69569 10852.74938 13513.67136 8734.181108 7195.027658 Taurallocholic acid 4.07813e-08 653.8439152 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9097.571098 1208254.516 916003.4453 13011.29421 1974850.232 591485.3136 3963844.119 114315509.4 75661.66531 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 111456365.6 206481.9023 65833.48923 27453.6686 156854.4593 342416.7899 169225.512 53277870.72 43270.11738 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54574.71773 4.07813e-08 21132.53638 4.07813e-08 {[3-hydroxy-2-(phenylmethylidene)heptyl]oxy}sulfonic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 274.8011108 197.2377982 4.07813e-08 4.07813e-08 267.0124448 26185.86773 23031.9769 39212.17153 24212.07034 62778.10984 18842.01013 18912.11423 31751.61908 67213.16402 380.9974227 712.5646516 800.1554099 367.9620436 1289.835551 552.5016655 331.3526486 385.7058302 151.5173536 18545.37689 32257.809 66798.66871 16256.18865 30517.87103 33442.62301 18238.29334 45129.84179 73864.12984 338.1210472 192.3807574 337.0547782 4.07813e-08 4.07813e-08 560.7590444 102.8217663 218.5249003 1951.164769 148.5789435 1367.486877 181.3185622 314.4611509 105.2342727 32330.91688 508.6248953 32113.1888 4.07813e-08 7-phenyl heptanoic acid 29895.98746 20777.41786 35464.13373 41740.39051 39967.73657 45360.79027 52308.51354 22605.89716 40302.76702 821.7946042 62.81750311 1485.08963 713.0708675 861.6716845 1244.226024 579.1311849 4.07813e-08 839.8717826 44137.17574 57441.89419 28383.1725 39912.63186 47159.336 56673.88615 35448.70627 23496.38521 30189.26275 4.07813e-08 1568.841804 3753.616614 1895.303974 297.0883374 143.1107167 1737.148752 4.07813e-08 5469.503015 24172.43501 46311.46265 30153.0485 35909.1255 48686.34796 40938.49224 51008.27088 24421.84468 19227.30127 66265.56387 45859.97339 53744.33108 32733.95327 22636.38645 3516.877045 43571.17675 1173.903443 36573.58698 3,4,5-trihydroxy-6-{[(2Z)-2-(phenylmethylidene)heptyl]oxy}oxane-2-carboxylic acid 1427.016032 1557.632493 1792.339127 487.5810166 522.8922881 2746.579326 4148.141751 3176.553406 6616.019864 28238.06221 412676.4776 2821.580819 22044.659 26257.07969 8193.904664 833446.0302 1701027.116 11218.42302 3022.241462 2244.410976 588.2471359 3385.451858 687.9806607 1666.744418 1234.812031 9230.826689 3432.820477 822672.6233 2714.977082 206312.2669 12401.87863 518829.9024 464027.5727 9299.18903 723761.3988 10920.08662 4743.412993 3260.877324 799.3493992 1745.242271 2253.126927 523.7173541 518.0516431 8063.386571 3500.083808 347.2427044 2417.606303 3410.299485 11601.65276 5842.665041 95192.12734 5438.8029 72362.0516 5903.109548 Oxoglutaric acid 11669.7344 13722.93602 41984.08796 36363.94649 33580.40693 147252.0414 26750.54133 47287.40813 35137.07842 4437.324045 4353.676109 5560.331341 4502.837312 4426.934604 2900.8888 7867.415375 4050.842688 8965.612745 43037.44363 67017.13278 61290.92796 27414.40269 32894.25918 88339.26527 21002.01756 38016.75895 70092.77342 6374.027245 3986.789045 5482.125679 5278.905911 4769.327267 5087.396264 7031.490798 3862.097777 7415.374739 5687.683011 40937.73352 59098.61369 59614.63777 60726.07299 25694.44638 68631.98095 61600.9761 14254.49396 155412.3958 43558.44376 56380.0937 41881.43146 36080.68181 3324.356774 74969.73798 5914.039094 79052.57578 Ferulic acid 4-sulfate 2125.939398 19765.19023 3617.719319 4349.372266 4056.57788 9285.987546 7773.786645 13740.19311 9657.255779 260473.5366 380029.9365 156816.3995 346462.589 235245.1061 104460.8503 67629.73844 108302.1984 146234.0127 1746.6397 1901.537229 1600.790622 817.4609658 574.4261468 2438.303884 1721.524314 1429.819112 1994.643153 186520.6091 482668.8178 219641.785 268840.303 501733.2003 264684.4229 350543.389 262946.1332 373561.8518 880.3840735 1431.433026 2152.301266 2084.184643 2582.791649 547.3383081 3344.920892 1745.103277 419.4659056 5595.017151 3872.915943 4094.888125 6680.222908 7029.918214 328844.8962 4969.525924 220867.9942 13044.42536 2,5-Dihydroxy-7-methoxy-8-methylflavanone 10375.02914 7234.347486 12491.36776 14574.52722 18307.37798 14855.06602 13164.72957 15436.46995 12931.74358 1835.309593 1390.360313 1208.599692 2560.982079 1713.463742 1750.132575 511.8201789 2695.659508 3028.456492 21028.25654 25262.91698 31966.99072 25018.7869 35203.47637 26983.65428 23147.1617 19356.87812 25317.21288 1135.854019 1448.47528 1274.047316 1946.242558 2338.816371 1164.907647 2558.547528 973.3294222 2120.551861 12239.31426 15788.08395 13818.64555 26063.35395 23244.90894 27868.85845 25384.74699 19761.93223 25972.43442 22552.78927 13670.94059 14360.64866 13232.79595 11528.09785 3349.47849 15432.62917 1427.769783 19083.71567 Indolylacryloylglycine 64.46710553 7017.012685 211.931902 63.76839529 861.5033519 1056.521409 1570.885927 5238.161616 3290.386851 6089.666783 12052.24955 12322.98665 6191.822518 13074.72214 5114.298524 9395.234216 12615.33234 9321.560612 4.07813e-08 46.60491468 4.07813e-08 76.64956495 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6847.155791 20063.3709 19385.58343 7458.27607 13912.49545 7784.507486 5971.290429 13027.03492 14879.48756 1014.509992 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.88515665 4.07813e-08 11800.04068 2243.653928 7004.854125 8264.87607 119398.5559 4737.046723 119712.8334 11572.21828 Tauro-b-muricholic 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 3768.465868 366810.5641 114594.6038 1874.520334 612411.1515 383546.4788 3188735.267 87886291.66 16818.30176 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37699585.28 13352.44626 26623.52903 11505.88935 52388.64176 211552.743 27334.91659 19865729.51 11428.84628 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38788.20253 4.07813e-08 8803.514994 4.07813e-08 (23R)-3alpha,7alpha,17alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid 320353.7263 346544.4508 220803.3701 98573.17343 123441.0298 299418.4657 138059.5818 246429.4481 377591.8786 70387.21478 14247.7779 223316.3709 72062.46507 1073211.665 479395.9519 96289.32784 328448.7237 1118415.414 209888.8561 141273.7234 157936.2357 131433.7223 144823.7461 85597.48093 93388.91459 54606.85415 114571.7773 57975.57628 224949.3073 13378.86395 125157.5904 99584.1006 36838.33841 130677.9289 66560.23967 42119.84107 95926.74195 98159.51298 141116.934 174389.6796 86107.93602 157287.8161 78071.02219 48475.32061 81096.70211 328415.7525 575293.7017 274419.0645 630373.6465 295129.1833 341004.4634 270080.0766 38139.39235 278167.0662 Goshuyic acid 39702.42838 51389.76425 71500.97347 62407.65275 69295.31393 88056.2752 49123.85629 54719.17507 107583.7451 200823.3964 191142.3917 173518.5241 202300.9265 208079.7796 159388.841 249000.3307 172554.5049 239004.1233 136909.4958 129111.1568 61391.89403 69732.99331 46807.93263 97990.80816 73259.24002 160162.3094 53172.17405 109502.5202 168592.4262 178385.884 217084.6207 204099.9981 162881.4594 143743.0812 110751.2083 234713.515 51071.15365 89497.17118 49087.65438 35986.87422 50021.42689 28797.34305 92123.85803 124939.5769 45275.15774 137968.041 172983.6636 105987.2305 48976.42587 34035.08222 133331.8042 79252.1712 229766.5508 92744.0779 Indoleacetyl glutamine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55.74266302 40927.32736 4.07813e-08 4.07813e-08 4.07813e-08 66.03554858 4425.522921 1272.807648 4.07813e-08 55.00673142 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 108.4955179 68.61495495 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 158.9302431 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 68.10438049 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 101.9749966 4.07813e-08 4.07813e-08 4.07813e-08 Glutamylphenylalanine 6717.831284 10916.0711 5709.395715 5797.10301 7104.911678 5450.716796 5855.950251 11188.75889 14826.09468 30802.95099 25802.85006 19149.3012 31143.36589 8475.979174 10797.11231 14396.29348 27273.68005 42186.39139 3465.184621 3984.46098 8254.280743 2164.132073 3284.714098 2434.598479 5931.940458 5258.513231 3871.002393 39859.45959 20250.72851 14803.11011 38288.19484 14343.59884 17754.80745 34419.56445 16517.68883 26038.02052 8330.230631 3069.423641 3496.812386 3999.516355 3629.490573 3366.970855 3658.07345 6846.010944 2891.635531 11059.94091 8556.822428 6515.389416 8677.411621 9538.351375 11290.08874 7708.676632 39080.57447 5468.40746 3,4,5-trihydroxy-6-[(3-phenylpropanoyl)oxy]oxane-2-carboxylic acid 338.3922316 131.6745499 589.1896019 471.4751635 1002.877948 17.91644094 1442.543341 889.9052795 361.7510945 53464.70981 57938.1826 57935.24276 48653.16244 53819.91756 49797.87219 43924.33456 48203.58946 14310.9935 1766.295357 2083.375513 2211.005263 1515.015034 2012.525912 1510.18133 1429.15305 294.1786208 1822.7079 60229.09333 32091.30449 69538.42073 36129.53257 73410.87248 76001.31778 63524.14886 49937.0652 61943.35913 1033.428383 1389.642554 563.5958563 1853.678508 2081.936664 2779.615276 2075.427294 248.0993516 1422.318539 1980.347019 1566.45585 1712.258391 1102.765664 1725.081854 60486.48563 1262.636415 57051.34074 1807.274798 6''-O-Acetylglycitin 4.07813e-08 706.084678 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49525.95721 43623.26153 34334.61539 45687.44433 36968.81448 21361.69575 22124.51565 23097.38853 32031.80323 4.07813e-08 4.07813e-08 4.07813e-08 1176.696468 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12876.61462 24135.99996 34210.72808 18589.37374 25309.66578 23078.87343 19718.69571 24967.75037 28489.07533 1178.047074 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 148.949322 378.7102277 22384.59256 4.07813e-08 19882.43386 4.07813e-08 3,4,5-trihydroxy-6-({5-hydroxy-4-oxo-2-[4-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-7-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 4.07813e-08 8814.594089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17374.83044 83278.50423 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9636.908181 4.07813e-08 5247.873831 4.07813e-08 9408.004418 7968.928463 4.07813e-08 7754.489386 968.824848 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 496.874474 4.07813e-08 1105.942559 4.07813e-08 6-Hydroxypentadecanedioic acid 11712.74688 10934.15328 12739.90899 15299.74399 16777.03633 11879.67979 13013.47055 6151.940601 8945.278106 658.8417046 1105.798391 1542.395366 652.3415523 4114.915368 588.7243564 1212.844129 499.8362184 1697.566101 19772.15772 17367.98517 17557.16203 19052.90772 47115.58026 19131.31045 22223.04595 9904.424746 13288.83386 399.3508996 1431.093118 1110.371681 487.8439863 1430.091526 497.9836205 252.7210007 281.3396141 2201.172867 9497.62136 16002.22291 12474.00606 15530.59543 22061.8619 36293.20483 16360.9179 8685.8511 16553.00813 14597.21346 11251.03743 15465.84239 8545.748654 8710.090465 441.3580216 14672.08117 182.5894138 8137.058995 Dihydrozeatin-9-N-glucoside 4.07813e-08 2033.455473 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 408.2635557 4.07813e-08 4.07813e-08 37468.82883 15646.68353 11230.51206 37025.62353 6436.36581 14912.85567 7799.156058 15774.10501 25071.16119 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.9754592 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24352.33343 18581.27698 8533.919305 17637.56614 12322.95523 7156.926261 18086.34672 13613.71625 11482.89073 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 886.7209824 2004.883367 10565.76183 245.9488164 15586.05603 4.07813e-08 6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 4.07813e-08 142.9735478 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 202.0663893 308.2390403 11327.45817 11703.25351 14092.41564 11912.90469 11033.25415 14044.80619 9307.737402 3683.506645 13876.43717 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20163.4414 12639.74682 16739.35675 8719.528246 20864.9206 19344.88884 24182.93173 6403.11764 21452.40715 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.125483437 4.07813e-08 4.07813e-08 25.86029138 4.07813e-08 53.64691255 59.41605365 20224.69545 4.07813e-08 23315.85118 4.07813e-08 2-(2-Hydroxy-4-methylphenyl)-3-pentanone 12705.64418 11885.66939 24015.04558 29681.66943 21158.37439 23536.37416 17030.09938 17812.50521 12784.52481 6265.783176 373.0518355 6139.783406 5381.521189 1145.498587 2301.694725 4.07813e-08 4.07813e-08 5311.305275 22639.80996 21402.2014 21704.55075 28300.86121 24268.59176 23274.06195 15623.0763 16290.65617 19551.92909 4.07813e-08 6636.643013 11910.30676 5614.330415 2524.431293 777.3387594 6552.372678 4.07813e-08 23165.83789 19758.87854 21817.85844 26367.05172 20514.74501 29038.30167 22901.76773 24470.13235 15886.54349 18283.52331 25061.79493 22028.12471 39509.06286 20383.60948 18623.92415 7488.936492 26895.30206 3143.300281 20847.64245 12-hydroxy-8E,10E-heptadecadienoic acid 77797.37828 81590.8726 86564.31019 91407.60307 83558.70148 80567.92048 72460.8974 71025.50153 67174.83529 54550.3844 72113.1397 56022.7527 51688.60118 78608.05093 73250.1263 50351.82732 19190.91589 37166.6611 72765.15448 78800.6064 55813.43126 55679.71662 60641.40093 84241.94866 48563.80055 50598.48232 47431.46765 8787.759299 40780.21412 51836.09927 27820.95259 35949.86463 31027.48974 20332.74315 29738.14329 46994.36776 45209.05026 77742.3989 53522.66932 58924.35756 58580.1697 55025.20693 84300.07396 48566.40343 82566.44911 87424.47703 54873.46328 58444.13158 46625.69143 40069.52206 27059.97846 53068.51725 35086.59511 70098.51537 Prostaglandin E2 67748.25719 41339.59833 53876.11844 61878.74015 46178.0033 69900.6759 71083.7462 44133.34963 43181.63048 15373.56041 15631.48306 6415.01884 15499.34361 7887.834865 7598.2000180000005 1905.998781 5282.297824 9568.371667 105853.2696 97816.49503 82962.87122 106401.2812 105322.4764 118164.1764 81962.84456 79542.32172 72201.97982 5645.866131 14244.87395 6707.564626 6605.727713 12302.93956 6906.9356 12866.96076 2818.478735 4578.490477 71632.19068 94740.26522 83011.64193 78610.43382 126340.3139 85896.91879 126300.298 73330.82087 115765.7593 74958.8459 65121.10614 80469.58491 58168.44531 45681.61823 13650.61851 70473.6208 11578.61196 74899.60481 (3alpha,5beta,7alpha)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-beta-D-Glucopyranosiduronic acid 4.07813e-08 1617.765042 789.7263686 4.07813e-08 4.07813e-08 304.4565137 361.4238663 4.07813e-08 361.0458434 4185.63138 7168.835468 15467.77812 2571.829288 16204.3509 22040.1343 28987.73249 475228.3017 49606.23362 309.5271133 4.07813e-08 4.07813e-08 1429.817438 270.0923279 255.1124417 4.07813e-08 4.07813e-08 4.07813e-08 126377.3503 5223.449483 11290.88071 5867.551607 39312.50292 25895.66708 9295.101908 282404.8162 284293.5406 1250.095961 4.07813e-08 275.835201 4.07813e-08 695.0430708 247.4484528 70.83701234 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 619.0190784 319.6434962 4.07813e-08 11776.06281 4.07813e-08 99005.4232 953.3443951 Glutamylthreonine 7654.204529 12320.92174 7647.092724 9995.899043 6945.34775 5773.105646 11060.09091 10866.41743 9653.31309 41838.7082 50585.71869 28857.28061 43239.3591 12736.52164 29838.35749 40406.06915 12540.03895 19369.95366 8563.137071 7958.625123 7123.17169 6928.151621 8274.950886 8563.157875 8119.343622 8424.733058 7367.590257 30367.04625 26041.79569 13539.59717 28708.00198 12008.59752 20709.66902 30462.5917 29004.54968 18089.01166 7510.550663 6142.57239 6061.615786 6953.24608 7132.780533 7542.033444 8598.512433 7980.295284 8327.840834 8586.439597 8663.791385 6199.437378 6796.829578 10423.59277 18399.31647 7631.294499 36363.84116 6747.565474 Muramic acid 4.07813e-08 485.7715296 4.07813e-08 4.07813e-08 113.7860584 4.07813e-08 120.6838564 124.9033326 4.07813e-08 10275.4412 8883.066265 9723.150999 9595.481982 5290.863178 6825.911036 5354.181324 1459.124946 8076.746551 0.409179238 40.78847693 4.07813e-08 4.07813e-08 4.07813e-08 31.51906108 16.51582378 69.30589592 53.90630808 9561.827162 8708.92516 4964.681114 5387.631437 7524.593691 7557.152435 11681.68433 2165.590459 6455.122853 4.07813e-08 4.07813e-08 4.07813e-08 53.99065812 4.07813e-08 10.44623402 0.654641812 0.129744074 7.141148569 4.07813e-08 23.27858914 4.07813e-08 4.07813e-08 887.398469 10208.31553 53.7718176 6999.669375 247.1348311 4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate 4.07813e-08 293.1578909 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2058.107877 4462.80713 3265.3396 1631.121709 9247.552739 1188.147565 2760.947237 1436.622073 2186.215053 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54.42521725 4.07813e-08 4.07813e-08 114.6589836 65.80998193 40.20054211 2441.255027 3019.499327 1224.35314 1566.5526 1360.051716 578.7674456 820.5546597 1857.692375 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80.7229691 4.07813e-08 53.65541076 65.48967414 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 116.1950894 787.5752581 41.90501583 1630.688196 4.07813e-08 Cytidine monophosphate N-acetylneuraminic acid 4.07813e-08 297.1621431 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 215.7529248 4.07813e-08 48010.659 61687.31082 50592.41604 44854.44402 56352.38563 62734.77462 50398.2462 16530.03088 50619.14078 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 81321.57098 29233.99143 55427.55038 42783.6248 48943.97269 60792.12107 24656.3118 37499.48565 62203.27772 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 253.3872961 264.9638342 9800.900686 4.07813e-08 48311.74523 427.2858647 2-octenedioic acid 272.5831124 342.4371609 4.07813e-08 4.07813e-08 4.07813e-08 472.4744195 513.1332228 148.5652755 4.07813e-08 10.6313544 400.2844963 99.12539298 4.07813e-08 174.9149589 197.1155559 757.3722919 762.1242355 4.07813e-08 662.5159391 1308.701432 1246.97714 17030.99721 4.07813e-08 1337.786421 1289.062487 744.1546139 701.0837404 132.9533879 219.9681806 750.2268566 7554.103917 1332.593369 2029.130187 23096.06064 936.5358457 427.3971941 448.8099999 408.2554335 429.0963048 2858.93484 10.99084389 808.4154119 290.5520677 564.0321635 939.0947213 2680.23853 6006.178619 1957.771533 2443.767965 2501.99016 1893.172101 3717.772226 1254.817513 454.1310847 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside 3001.471714 8388.880053 13417.64656 7817.255183 7642.561654 6269.293837 16816.41058 11620.95962 4481.124408 8322.373923 2629.232704 17152.9137 7221.437934 20684.74249 45937.26657 6240.916811 20413.30807 50559.17054 6872.232358 5692.14506 12928.56203 8393.910624 6672.247371 6960.571559 14074.95751 9226.538428 4045.104929 48740.22373 5497.331033 2900.711325 1463.443045 492.3705663 13607.55647 3840.748973 14517.6975 7551.26914 5571.38471 5535.541495 13760.56503 16526.49426 7486.346994 8148.351664 5275.021736 9160.558698 5236.686123 21124.29771 9628.459007 14669.1521 16615.48207 7197.088252 9440.629474 9955.737726 2581.126828 12426.90732 delta10-13-PhytoF 3.003441287 1.389748853 2.091669574 4.07813e-08 0.561484018 645.2237708 124.5864315 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 181.0013427 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.729502361 306.6324708 384.9212182 520.3580336 237.2676521 4.628970115 387.7389446 109.6211195 709.6307013 305.8149557 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 102.0095127 128.8024813 0.793652548 573.5696879 204.9578303 285.0673288 411.8456099 473.717825 817.2101452 20.11607623 115.0664967 3.227628818 198.8571292 0.401424705 3055.214549 1.270310839 144792.7073 127.3172848 Ethyl glucuronide 33825.45226 42716.67649 43744.21719 56380.17153 64259.10607 45962.43739 39080.31528 42645.03418 39908.13973 34402.99693 363878.8598 30313.57046 35006.72595 38529.03806 114644.781 348316.0338 171763.9697 31422.9343 35898.55307 28729.81604 32386.16955 26115.57162 39228.76044 36298.05203 35941.80137 35243.404 34165.04261 273879.8673 31209.12801 252224.9587 28996.51166 316613.7354 364069.5569 29324.67184 272736.8219 71103.60837 28229.54528 31810.80231 29987.04586 41255.04328 27353.6438 41241.20683 34288.22207 32232.54154 28299.64485 31774.07238 33344.37279 34116.43417 46140.79493 45360.69357 135648.1346 40752.22277 252559.4348 42994.64605 3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid 15427.32728 35921.46716 16222.87223 17651.76984 18230.32429 17852.60231 20025.35201 18109.32908 16436.40237 127065.8246 126218.6574 65092.85758 160352.4763 53746.11722 50656.28229 33740.24991 114482.0641 115609.7781 18527.73312 19207.72465 20372.37973 19635.43084 23490.64796 17187.88457 21530.94868 19264.28299 21519.68931 72395.54025 58005.26148 110275.3393 71680.01747 68101.21793 71375.75739 104603.6444 61781.3228 193163.1805 16283.01865 15292.74375 15779.14365 21263.7159 23341.25052 22814.03448 17497.57908 20496.64962 25380.79644 18265.11507 11760.25489 14936.45281 18715.62935 27640.52983 114912.9825 16677.80533 110917.9657 28481.86265 3b,7a-Dihydroxy-5b-cholanoic acid 35485.89866 110718.712 218114.4555 166150.8702 225885.0886 440733.97 263687.5111 226564.9574 219412.3831 1747.825095 4.07813e-08 1283.707595 1424.753855 4.07813e-08 662.5902271 608.8560042 4.07813e-08 10622.8625 323958.8096 229258.0209 319820.8744 209219.7039 288271.6905 228300.7733 211800.9617 112764.8865 61130.82339 4.07813e-08 580.2429556 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 635.8767028 4.07813e-08 28578.40347 239050.0406 87043.5603 251342.8695 233832.6609 236308.0252 190401.0962 202374.344 90989.37063 40558.99703 872604.5379 477503.3527 366745.4725 203133.1024 95783.33767 113940.6666 373992.2244 10135.95152 261927.2309 Perilloside B 331.138171 274.1223005 410.2348656 311.642025 808.5284184 211.1902374 886.7602863 189.0954437 572.4156336 1282.393716 3054.294376 736.7357606 1099.411434 383.4866729 1608.069071 7949.774236 3820.738255 856.6127008 1868.146584 1486.243269 1037.155492 937.9474968 2356.263387 1061.05809 1371.278818 1290.684615 1895.564097 6004.392385 903.7092147 2866.914612 728.4473892 6227.524495 4271.455472 1308.04965 2028.925374 1403.214962 827.6810705 1229.08712 793.1291518 835.1920031 1046.27318 2261.900934 1266.730793 1548.358965 1796.441092 898.8196739 1343.7435 893.8977288 567.8317432 699.3992645 16137.15869 1371.060139 243590.2745 2319.66317 Tupichinol A 43907.00838 22908.51224 62857.96081 69911.68077 87878.41675 72887.04914 55702.1129 39973.29585 50335.20024 7824.847405 5175.63377 3715.120758 7547.568302 3043.850402 4869.744323 1851.765142 4291.622293 5848.952168 88298.71597 66036.90647 146723.5713 100892.3039 110174.6227 113256.1543 82100.64393 66664.6649 63731.88767 3272.853779 4191.100421 3286.430208 3436.795133 4834.075199 3810.799934 5372.13921 2233.953978 3599.940034 38379.8463 43882.85502 63303.35841 99994.58956 101118.6618 91729.21614 111499.9716 67354.82664 66177.41221 183497.2042 54021.44563 66408.31861 42053.30523 34341.81108 6272.191615 52427.16511 4485.261708 62117.97333 3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}oxane-2-carboxylic acid 849.1892311 400.95299 896.2423866 594.3029106 984.980328 677.7736532 840.788864 275.8354999 1225.319043 575.5102088 31760.36389 373.2334515 962.1998055 4.07813e-08 4247.393817 62458.61135 71236.78825 395.1750358 3789.322581 5251.34682 4327.496401 3015.412674 6708.335968 4716.566433 4547.086101 4395.111908 6859.795293 47438.15063 641.7466906 17004.57083 6488.520117 37644.77133 24168.52875 1652.731456 20819.6279 1504.569185 1938.132006 2236.465584 2729.957312 3457.461293 4892.164014 6750.690201 4333.879648 5585.796529 6178.787115 1480.601626 4527.975169 2953.64267 7656.321264 2270.991536 13594.26011 3256.010453 186994.9972 7924.450286 (1'R)-Nepetalic acid 2115.564356 5145.105402 3034.203584 1900.604391 2694.33708 1804.884838 1965.608663 1716.440839 3680.264342 17078.67555 20431.20547 3906.904939 19411.48879 4147.942284 45886.21197 4397.112228 3293.203241 8197.86733 671.1704973 502.0248056 627.7056244 596.748607 463.0492736 233.8954873 603.2297396 747.0958459 607.1198819 2507.743379 4069.434414 4556.113837 3631.654177 4861.10856 4075.556012 5330.352366 2636.314392 4655.37062 1952.985276 885.1678416 882.9477802 492.7981345 194.2576734 909.1351966 377.6903099 1197.497283 722.7971297 617.3297147 745.6509244 952.1459435 1546.05016 2487.705353 5383.515945 850.1532329 5580.927424 1167.934539 I-Urobilin 17466.70008 79581.18494 7539.481521 13433.88573 20958.05626 9186.776168 15259.5212 52242.5056 116582.8433 1020.110311 4.07813e-08 840.8000227 958.8576432 3622.746373 2876.197146 4.07813e-08 20.14546162 9074.445048 3058.068285 17053.49351 3922.215514 6076.752597 4.07813e-08 638.16194 4853.150918 2706.028183 202.3277195 4.07813e-08 4.07813e-08 217.1183651 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7894.683453 4915.122836 2111.090665 2177.931871 5097.869359 948.7166985 4.07813e-08 2445.125447 1022.12927 4394.411146 9692.093158 11188.79565 37854.98942 31496.66146 4.07813e-08 13732.16045 4.07813e-08 941.4253155 4-Acetyl-2(3H)-benzoxazolone 45619.04224 65323.57014 34389.37113 38347.76456 28475.62452 21543.63267 39655.44912 34514.26367 46798.90282 135223.5768 159531.9036 121047.7386 153177.6649 74369.56975 85943.86294 40651.66445 35438.52611 71410.63791 137258.1272 82760.496 75933.23211 109948.6957 47237.82703 1471.328159 86078.00309 235784.398 12183.74053 77076.07078 124402.023 91981.07953 85746.0498 148658.0866 81663.06491 125975.5194 39145.21441 74761.78909 97093.17583 50854.43446 71787.98562 11309.51183 146489.0199 139462.2685 2286.069884 136786.1259 317140.8485 2951.566774 33288.56453 30727.67188 72938.90755 52328.11215 192088.8208 27473.01455 142636.4971 31914.99255 5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)resorcinol 30388.64057 55000.51646 121677.2758 77218.41392 104326.9738 249440.2548 108278.0117 79450.2821 88075.37513 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 164428.0248 141267.422 199622.0253 132471.3551 245095.6447 235513.089 146689.0898 98759.0591 131943.5624 4.07813e-08 4.07813e-08 4.07813e-08 796.349868 310.1832733 4.07813e-08 4789.436637 4.07813e-08 217.5102149 68328.95389 78099.24282 119582.763 174012.4859 113930.7719 197097.7717 209033.0053 89669.0039 158049.6178 438609.5117 195140.2771 146530.9271 83474.91693 52704.70105 19994.49783 139384.9247 6386.352168 147945.9947 3a,7a-Dihydroxycholanoic acid 4.07813e-08 798.4474863 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2142.04729 409449.3645 14671.55044 1708249.745 265159.7305 1565109.449 2257035.584 427243.5615 4724037.697 996005.3516 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3924.657023 4.07813e-08 4.07813e-08 4.07813e-08 236045.68 783479.9337 271681.9923 903363.0842 163228.7441 161585.9046 1135342.934 1631298.222 1082922.369 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1400.652321 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54644.00591 547.873801 522.3551702 4.07813e-08 157931.6054 2423.691597 104559.7811 4.07813e-08 Folinic acid 4.07813e-08 3292.303023 4.07813e-08 566.235286 288.9141993 262.2092633 1525.986172 1449.236217 528.6745061 49227.93181 48565.59395 86809.33804 46539.86534 79111.21912 37480.72122 51690.73138 21756.42702 56064.29143 4.07813e-08 4.07813e-08 163.4068678 4.07813e-08 107.9254358 4.07813e-08 74.76116039 4.07813e-08 4.07813e-08 41573.54856 47747.24046 76601.75064 32586.06122 48371.11092 73697.86432 52872.82195 41565.51124 78046.1874 1727.097796 4.07813e-08 30.63663346 252.9667701 4.07813e-08 88.54706009 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 107.0275409 4.07813e-08 1090.732043 2683.283926 52529.9135 752.3395398 42481.17158 2362.078777 Glutamylleucine 15088.31747 15273.48896 11900.78587 11602.85603 14362.56726 11003.88145 11519.21261 18309.98655 24281.9801 33010.17935 23266.31406 25447.24468 28808.34623 12253.3212 11544.1401 18298.52588 29952.01703 49369.82898 9030.7749 11869.3696 12119.25171 6715.389905 11576.41035 8714.249253 13087.2735 21255.06862 10682.50886 42130.95528 23516.96471 20358.66757 47340.39644 19798.16053 23389.51906 29666.03096 17302.39412 27485.04551 14862.5145 9063.891616 8109.790985 9809.530872 10285.90927 10737.58146 10007.29376 20658.07234 12932.22799 19072.59675 16071.30171 12135.77711 14269.28149 15556.57769 19087.25364 15140.94358 59864.211 11285.31786 Phaseolic acid 260511.4259 206806.3781 344334.5321 302535.9548 292357.8245 315513.1884 279803.7941 287874.8583 172893.1319 40094.04556 75497.37093 85193.68055 14030.87609 90131.16729 58340.84133 62241.27322 48661.6534 11567.1623 433959.8112 446920.4326 415987.7022 426322.7121 551142.7534 413260.1031 437122.8207 633753.9686 495113.1219 64641.34855 41800.13342 41002.98239 13839.86419 30864.11734 24467.04808 69269.43829 45005.59503 57816.49319 282674.2659 414364.9062 357516.4497 431507.3938 459115.6237 502883.4408 396221.7821 614870.1328 685036.1374 320806.8465 281773.86 346811.9596 267278.4973 284096.4775 61296.19779 306028.8474 90054.66249 389719.8432 {3-hydroxy-5-oxo-2-[3-(sulfooxy)phenyl]-5H-chromen-7-yl}oxidanium 1256.453854 1033.836619 1487.654693 1282.493193 886.7039993 1210.217501 765.7147194 1808.29271 1477.272074 236140.7614 140012.1837 570816.8343 49789.87176 1454151.667 144914.7176 519360.5017 45203.56105 1104808.924 952.2934271 703.2852688 1116.580457 621.794255 667.0838494 1532.74831 1054.656004 1320.187167 1442.974033 1181.117362 202012.1186 127469.6004 41051.42129 41560.86887 1739.780524 2765.838674 1872.119553 659516.9037 1063.663931 1142.652864 1205.10518 1063.845597 952.3585849 748.0899789 779.507669 1421.676554 1380.18365 535.4412154 952.376105 771.1226309 1140.068942 909.6274891 33468.50158 1085.620755 101741.247 1261.408168 (8alpha,10beta,11beta)-3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide 38101.23851 33140.36508 36477.1068 39286.29029 44286.59278 43482.27852 48075.61719 23805.05963 33805.08305 4570.991046 2900.82028 2736.097705 5155.867656 2364.002377 3647.356837 1761.399239 983.0082251 8126.866795 66460.93526 66789.4839 63836.50929 70023.95794 85123.41808 76550.86918 76757.07319 37507.53978 44470.93291 1374.303272 2723.052808 2862.073034 3777.610279 2302.713315 2498.255716 2996.198 1034.273731 5433.556516 39154.1893 58128.60687 51940.82906 52564.38127 73412.03327 86067.36924 68401.37093 35024.57524 50574.96367 70220.72126 49220.41403 66395.545 36358.58343 36285.4524 3724.636578 55165.04074 1613.878848 35211.79626 8E-Heptadecenedioic acid 62982.24673 41936.14718 39501.58857 38534.80119 57473.19988 39198.2006 42109.95131 31449.36992 29528.36439 14493.5582 11789.27047 6405.901571 15324.13433 7421.119112 6441.455044 3351.133581 907.7552671 4710.549325 97116.04699 56268.29962 56103.3562 59504.24224 102734.9955 111786.1459 73494.46007 75218.85291 48570.48023 2173.429852 7298.903839 7108.746699 2276.084546 8390.086763 6951.303341 5098.602603 2493.154702 3811.888952 48861.70252 55676.52208 42406.55346 45923.19878 68805.99735 90279.01023 98165.70983 72136.46784 109161.1712 33373.2493 36114.73351 34593.05974 35715.58257 29171.61598 5921.462778 54227.42023 6284.732498 48030.55956 1-O-(2R-methoxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenyl)-sn-glycerol 9512.508545 12588.8735 23683.04364 22559.65828 16600.96263 19579.92807 21088.52962 20709.25626 23672.01636 4899.534316 9888.051799 19372.23578 3188.994064 26960.43472 23967.27517 18419.94916 89055.54245 27594.18793 22619.6597 28076.3994 26376.30879 28886.3015 23134.6156 32165.87535 26016.27029 6158.396708 5546.744187 21157.24931 5437.916915 3517.085727 8060.170937 3604.969854 7303.567652 7104.892152 27805.94414 3764.755252 14738.9331 13858.55899 18198.96941 27717.95739 38968.48238 17386.95237 30163.00146 4774.067531 6626.404376 28625.07364 24351.43599 23939.77224 14374.4608 10325.93635 8826.018319 18590.54011 1084.114207 8607.785972 (17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione 4.07813e-08 254.0542997 1525.311186 264.2016428 5524.513114 2207.698942 4.07813e-08 8324.66411 38502.60852 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28868.79257 22971.70555 10278.35591 5020.817558 9856.076656 57303.74927 21115.57475 66801.45496 59426.56208 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2276.563308 9455.989312 7053.813073 3142.538876 7763.877803 3677.091448 45704.58477 61848.158 69152.53532 51213.7373 63119.6033 21582.71142 2333.593064 2199.691316 800.4372481 22569.89649 235.3614433 28698.52784 2-Ethylsuberic acid 2719.110373 5957.33174 2994.460886 3817.878277 4775.052402 2355.867739 3175.599279 3896.785985 2913.175415 18674.88148 22286.51128 19974.45238 20229.26078 18028.96147 54871.89511 15592.81952 10801.29327 14709.16613 3729.298131 3362.026804 4460.914547 3929.607544 1310.756333 1428.179354 2931.376717 6001.478333 1622.262957 10871.34354 14015.16445 19941.84599 9930.101396 17661.57606 17050.89119 15272.03259 13399.14788 19282.05962 6246.047979 2750.812352 2387.721308 2130.141184 3528.598431 2898.077648 1413.340391 6418.677365 2889.635482 1724.323118 1823.866892 2090.847716 3285.493024 4945.244389 15312.15137 2419.768501 13955.56313 2488.988914 (25S)-5alpha-cholestan-3beta,4beta,6alpha,8beta,15alpha,16beta,26-heptol 25471.74715 31775.96451 35072.88246 59439.00672 93258.95304 44991.8795 57215.36566 44000.98871 46347.96966 51255.33342 13885.59042 34970.34159 54806.91166 20651.67618 61915.97983 26162.18297 89013.22906 89318.41303 69867.5197 29743.1712 50854.70778 81001.54122 104852.4861 75056.32677 66308.65746 53993.26654 84448.36744 124440.8871 21384.98983 65380.76243 16523.74617 11265.75976 30854.38318 35349.46983 40160.6921 52654.24502 70167.68094 58653.51685 50898.71703 81462.98899 92643.2648 97332.52981 72634.24309 46583.72012 79093.98871 177076.4416 68928.23906 83554.44723 44927.61748 35745.34683 24809.88681 59020.85024 20867.5715 58366.01022 (22E)-3alpha,7alpha,12alpha-Trihydroxy-5beta-chol-22-en-24-oic Acid 75061.40818 74340.13324 95344.5145 89517.3938 103687.5912 116267.5552 83301.87292 91260.44073 121014.1252 8417.700098 798.7414893 35155.86048 9434.566237 6663.728455 26659.01934 2407.2117 139.9373558 41589.66593 76970.05623 88470.97368 80056.14467 91783.46587 139801.0304 124104.9976 105784.8077 71452.59109 198533.8579 4.07813e-08 34206.76631 30470.35174 9161.356638 13641.89678 15385.87007 29674.91831 4.07813e-08 32450.825 77757.71936 61828.63166 65577.45004 96505.14081 91273.26792 113310.0999 114051.0812 66995.75577 155954.1726 162864.6783 85115.61437 81794.39486 113930.3613 71164.69579 11942.16176 62676.155 1317.730514 88345.00812 Imidazoleacetic acid riboside 13688.4853 20547.62724 13524.34438 16113.31165 12832.41229 13225.51346 17042.66681 18072.32454 14634.34133 181862.9284 250746.4798 24896.19468 141112.5516 83735.06319 118250.8697 248851.9074 42643.61347 49053.51345 18086.25074 23766.74035 15662.30209 18092.79567 20298.28301 19867.57174 18498.85459 21070.02752 21399.73547 61829.93956 53162.65336 176782.2806 26369.2782 36438.34678 48052.91581 158438.9309 32779.90834 35402.03203 19455.71899 18929.20271 10753.06683 17271.16687 17713.04355 17757.20457 17019.74485 23333.67671 27659.86724 14540.70934 15560.65659 13314.1467 12949.14482 16982.55839 58760.29296 14217.15586 133735.951 18094.71522 beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose 4.07813e-08 4751.013959 6.857807494 4.07813e-08 7.622710632 4.07813e-08 685.8543077 161.1457194 59.48938953 59223.76305 45023.61823 30873.03123 58562.45391 24244.66398 39139.7952 19498.13708 22250.30264 40772.43089 7.894076877 4.07813e-08 4.07813e-08 4.07813e-08 91.61567569 28.13415015 4.07813e-08 0.780654863 4.07813e-08 58796.22031 52845.01722 31323.01279 47186.05872 50715.02635 36972.32233 69854.43504 20510.42841 34153.87386 2.488878184 4.07813e-08 4.07813e-08 7.794783778 0.029673712 15.3241332 49.88590661 8.598554412 15.86119573 216.5105902 4.953165738 70.14850671 3332.821525 3675.242619 63987.62735 981.577854 57693.4333 716.0482314 p-Hydroxyl-ethotoin 1907.427708 703.5120049 2014.02455 3589.339016 1259.208325 304.9188337 774.0649347 1836.028852 4075.281075 3037.797392 2969.677499 3957.459095 3424.001265 2569.849929 2368.993837 2072.860005 2616.7486 5130.830572 2181.612161 2524.940498 5110.365258 1343.782389 18492.54964 2704.651957 4576.798003 518.8139433 8742.857548 3520.658262 3190.060626 1945.499 1832.795582 2189.191938 2575.842233 4768.239776 1648.398933 3490.873446 1788.609898 1699.533324 1724.059935 9491.058826 3641.347094 11175.45275 3886.400429 572.0970599 997.0097415 1577.82532 761.333423 1567.117111 3510.373271 6078.614091 2508.953865 3150.675219 2264.416886 2738.299719 Vanillic acid 4-sulfate 4.07813e-08 1919.101805 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19297.66426 16975.46392 2142.168994 28299.17132 2582.954882 1413.012058 208.1818647 1284.780986 1614.082066 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2472.555409 4169.665967 5582.232873 6454.785943 2605.132248 2089.394928 10760.64797 2887.154895 15050.06285 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3956.058749 4.07813e-08 7897.233882 4.07813e-08 3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid 12379.67308 21705.28964 15010.94836 21118.23629 18424.21333 14085.21003 18768.14786 17550.22957 15260.65935 3171.040209 1736.290128 1064.560366 2538.171901 1170.637145 1560.044303 1512.273784 1858.852038 2459.757207 2226.093713 2140.788454 4560.169686 3326.765074 1924.579316 1049.991432 3007.590492 2177.516669 3576.496293 1629.706591 2081.88636 1436.550845 2920.880571 1682.752758 1359.126755 2914.648816 1509.068797 1324.222185 9538.682965 4279.36798 5525.725309 2568.17123 3955.140402 2844.116035 1291.031533 2423.202803 6153.918098 1598.856838 2129.282654 4933.303368 7320.275001 7411.717473 1835.388403 5113.902564 2456.905527 8795.1906 Ethyl (3R,5Z)-3-hydroxy-5-octenoate 10628.64949 9698.015067 8464.563544 7384.38456 12876.29374 4770.216653 5194.644488 6168.0518 5838.936234 14845.95981 15835.13207 10088.89343 15914.92545 10369.40973 29687.3649 9609.053318 7614.587275 9473.538345 5249.631708 3642.434295 6759.030689 4525.985155 2455.013035 1515.244515 5892.801338 2742.736133 2847.827853 6004.458381 8876.889342 8927.251168 6222.386538 8473.144079 9763.933212 8796.079857 7419.130083 9819.910868 9184.805777 2954.601439 4434.373161 3623.298511 3148.115326 3400.140868 1708.225486 3149.173652 3603.679301 1950.706209 3062.429592 3672.178073 5197.187345 5900.385217 8811.706383 4947.834371 9188.724004 3463.043464 13-Oxo-9,11-tridecadienoic acid 13272.58952 14762.00116 10296.46249 13842.1316 11084.60741 15115.09679 21504.60756 11654.27424 9416.235896 2105.809631 1409.628184 4.07813e-08 2347.020816 4.07813e-08 1577.346604 4.07813e-08 4.07813e-08 1108.576791 13795.68358 16420.19241 12539.33478 13950.03676 14715.93398 15780.81177 17700.56627 11025.17574 10100.26586 4.07813e-08 676.4037135 1433.033792 1592.958683 1098.481732 319.58713 1326.577284 4.07813e-08 1934.168427 11408.11902 14771.07571 11922.07594 11256.16952 13979.80369 15900.07235 16884.95114 11373.94594 13482.0791 14380.11017 10442.76446 16525.15054 8945.167181 19911.71782 1477.982097 13640.0187 1545.728972 9733.644972 2-Hydroxyphenylacetic acid O-b-D-glucoside 4.07813e-08 344.3456477 224.6296981 368.3316862 272.2626093 4.07813e-08 541.6212199 666.2592819 294.4423726 11151.09048 13746.50678 26064.59234 11538.12959 25042.1655 12966.05631 14686.99397 7235.179935 570.5519989 441.0048718 384.9595456 243.0143048 208.2750208 133.5907447 130.0701571 195.9720385 138.7015496 193.2757858 14131.58467 13941.21687 18152.619 8020.233035 12295.4285 17845.42743 17304.91398 13361.82765 19297.81963 197.1564251 55.02006396 105.5446153 126.1048947 36.86660088 241.6941816 4.07813e-08 48.99719263 4.07813e-08 77.75635655 88.34309919 222.7971419 544.6636329 304.1677089 16396.7494 356.4032197 13368.51919 1922.204877 Nigellicine 887.8175183 591.4624788 582.4015914 239.059903 243.2333877 185.9958217 307.4173856 542.5259135 603.3114328 13125.31554 90999.50342 3237.544189 10333.54756 13567.5257 34828.84113 112295.1253 4188.554297 9716.045789 816.2941286 844.1800569 1063.005002 812.7732917 1079.259986 964.1045404 1001.095547 1241.086406 854.7760114 9687.766084 16292.56391 12511.47646 2556.733922 1705.805484 4987.692167 26428.71091 5970.018059 6804.771635 462.9985941 429.4517592 746.737962 1057.634337 733.8237311 1575.93634 904.9256236 1257.291369 1356.128755 579.6724192 942.0905688 477.7552015 1117.292437 689.3797231 3935.775976 939.6540112 4832.105374 684.4732708 N-lactoyl-Tyrosine 2689.027064 1188.166715 1215.852065 1016.601908 1326.501306 1360.404567 2833.232774 2642.09202 1897.897557 2885.61766 2592.885163 2309.413934 3703.584635 864.3301884 1492.302177 3779.646252 2142.736353 1225.766824 10218.59914 9841.145656 6294.221606 6757.684366 7972.063483 7885.374971 7528.935174 6283.581786 8518.167918 12534.34401 3112.139624 1766.822811 5515.544785 1672.538135 7360.997915 1704.336252 4360.058672 1865.908466 4957.523958 7517.258421 4525.117426 6735.801804 7449.085823 7268.912593 6919.203497 3668.047475 14753.68538 5471.344008 4978.334153 6131.538934 2443.633937 3040.439932 3074.256958 6437.283497 2390.910343 4392.447435 4'-Dihydroabscisic acid 13881.76393 13129.87515 29914.1111 43349.40181 27464.88124 45963.6529 34199.42703 11712.98261 33352.48357 12692.98679 3671.701202 9661.058027 10637.38195 9608.961301 7816.905156 6588.526511 164.419402 5432.836191 46285.40529 42403.06413 31422.9338 44944.62647 38368.02121 54249.16502 39424.70723 36378.39993 26457.77113 71.27081042 9933.138192 16440.81681 11846.75592 4998.827888 3746.610919 13200.12047 69.75549936 28147.83001 38836.06439 41249.28238 36671.81357 22384.70288 43836.21193 34298.8575 43802.97597 34379.59545 26533.87571 51923.44614 59459.3155 58667.08755 33736.73647 24890.76695 20610.57741 51320.88702 13460.53209 39445.39949 N-Acetylgalactosamine 4-sulphate 44025.15379 540085.5736 50790.8761 140308.1655 133841.9482 40275.31553 152964.0127 117168.1797 68145.60825 28926.98345 30551.03781 16358.1702 42129.38004 24194.95746 11472.99625 15115.8051 29607.58731 21022.23988 15302.38889 20081.74042 21855.29783 27551.31 56540.29545 17140.64674 49284.43822 17686.48919 25390.28316 19946.59343 38330.31569 26708.22609 42668.26488 51757.47664 22462.16363 39536.60569 18912.57022 66129.4382 45112.33079 17745.76243 41820.8007 44797.85766 23191.31075 54647.34162 14693.33619 16666.51277 21042.20064 15027.71275 21691.6598 26496.24621 203412.9776 267626.8526 26721.08413 62613.49175 29319.53637 62648.27447 L-Tyrosine 14465.89922 16165.37965 10800.79627 11138.05146 8630.713235 11631.57576 14423.85875 26837.75434 34941.17496 7562.682458 7458.60885 11333.99975 8107.142238 7697.25966 10290.94369 7738.348904 9570.469626 24884.91373 6686.945594 8178.661165 12495.17662 4912.243458 7969.027482 6361.56766 9450.148129 6377.365545 7448.559386 20049.31817 14191.30751 8700.310992 17919.81191 8444.857272 4274.694196 9715.613402 10807.39664 13465.84101 15562.50673 8887.088832 8972.587443 12443.1495 8661.686534 6965.600036 9402.442994 6561.11801 7255.731479 12316.23358 13140.21882 16496.43839 13309.28622 17098.63215 7092.929735 16476.47681 13445.54899 13367.11223 m-Coumaric acid 5237.439037 11559.99065 6721.821195 8083.99649 8022.071723 9425.991511 11823.33839 14461.65218 11527.9217 6783.224413 3656.262253 5525.181687 7267.581017 5477.271623 4639.450948 4235.184848 8011.425771 9509.469804 1899.22886 3084.202846 7446.532344 8598.325046 2030.836376 2093.553968 2683.567329 3720.07897 2394.466585 4202.730103 4212.231401 5621.450709 6094.174514 5475.822068 2956.996569 16425.84832 15333.2293 5442.017742 5828.336724 2960.761984 3343.072538 4927.273477 4489.124168 2959.830738 1837.006205 3231.783443 4840.552212 3110.412434 2345.977989 3993.729397 4660.638781 5622.629929 4519.232511 4559.816592 4042.287856 8188.135913 [3-(3-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 3759.775824 3721.350845 3649.551043 4474.769573 3671.587608 3338.994906 3654.414451 4014.84638 4474.637169 252185.8786 137562.9589 566050.7502 152503.4558 681811.4753 205245.7268 195724.2847 36869.59846 632768.3983 3316.434407 3352.771196 3047.404999 2381.115114 2888.489039 2933.751519 3133.557129 3974.549728 3591.185281 3098.318928 386617.4498 198338.4615 148958.9314 125124.0946 21108.24009 22836.55313 8182.137886 517353.9315 3380.691558 1393.888473 3491.251894 3205.585997 3291.125517 3125.200319 3096.479554 3774.422014 4109.621607 2660.151948 3444.177023 2360.089521 3601.637959 2769.889502 181142.7466 2656.343286 168568.0709 4122.669274 3,17-Androstanediol glucuronide 70018.61345 116904.8431 112067.4345 133137.8257 101887.8029 76323.9483 67479.57475 100093.1376 96796.74426 6090.81338 4.07813e-08 5395.872943 7564.697494 6060.102364 15140.41855 204.3653692 487.0730076 99736.09491 74781.89931 116876.3506 74695.74605 103408.7367 73060.12504 79656.48027 76351.15549 38964.33858 55749.50703 4.07813e-08 6908.459212 571.5672295 3506.287806 1145.041517 4.07813e-08 1739.291704 4.07813e-08 7509.608941 53490.47773 71599.2215 57828.56368 98093.94541 110067.3369 66564.36443 74259.49321 34764.93738 45550.96506 112420.2651 58262.12742 33506.61616 49189.05785 37738.71118 14803.08497 46882.93901 958.811022 81812.85184 Dihyroxy-1H-indole glucuronide I 10.27397503 3.09432437 9.273154971 5.940252375 9.095795554 8.642712255 7.218409134 4.07813e-08 4.07813e-08 4.07813e-08 2548.290727 4.07813e-08 62.29149051 4.07813e-08 4.07813e-08 2383.14817 4613.102491 4.07813e-08 64.16343178 0.242018093 7.901722494 64.71142655 26.95699118 4.07813e-08 4.07813e-08 53.22294254 4.07813e-08 5570.60221 42.58551651 2453.222414 4.07813e-08 4434.365195 4024.705547 69.04486843 4261.828939 49.62246816 93.88690343 3.124754219 4.331916172 0.603399894 2.31813273 59.66538956 4.07813e-08 79.21735952 3.006680909 4.07813e-08 4.07813e-08 4.07813e-08 16.29330997 63.66016371 4.07813e-08 3.102227713 1898.800737 4.07813e-08 [4]-Gingerdiol 3,5-diacetate 18228.57834 24347.51042 19749.61945 28584.97464 30114.69156 13136.71296 15518.02019 17132.21513 13608.76188 17660.09449 18342.69468 36568.03852 18537.80945 29712.24623 16968.49525 22894.17685 10493.82296 14499.14538 41324.81745 24369.04482 42649.54204 39264.00034 28965.24011 16561.25968 27375.23314 37323.69105 24743.19711 16596.68543 18727.32581 30724.00488 15721.78852 19602.81362 30194.02206 21784.07886 21241.86291 29701.0205 30729.30562 31172.41011 50308.27664 24863.95627 37074.03674 41630.82901 15063.93003 37164.02515 72509.26911 12304.85955 14389.18936 16065.12804 25571.84382 24453.49088 24817.84383 22593.5639 18014.85767 15593.40553 Cucurbic acid 14170.55561 8943.719171 42184.97988 20909.4588 22089.99792 19983.51739 10845.83428 11932.24084 38984.10116 1280.447915 1097.406807 994.4886456 922.7265369 983.7896129 815.9229595 614.7312225 332.302988 1533.576895 16503.28846 15244.18364 25735.85817 14531.01556 16375.67237 32736.83739 28665.31104 88056.29086 18119.1916 891.9101801 1504.407224 804.484974 992.4500102 2060.465994 758.0682695 1819.759992 711.6842577 1067.156654 10386.69182 13967.19017 22672.66227 13094.34928 16974.87653 16892.33884 30280.42667 78926.41986 21714.15025 12795.33943 8525.703236 16977.32608 12145.03929 15853.41083 1500.346273 10417.57272 1092.724656 10855.22799 (+)-2-Sterpurene-6,12,15-triol 54256.83027 38782.30245 45265.27072 39116.06867 46769.65952 55381.96508 54590.51557 32577.9069 45671.25967 11083.66343 8402.372984 7904.167637 12455.545 8125.899513 8122.200825 4273.589427 4652.020714 11535.91719 119640.2956 110347.1915 94047.45792 105294.9023 124333.7083 116522.6305 95318.48334 72257.6685 78803.3739 7536.7823 14605.28728 6182.933367 7773.017253 11680.42436 8071.003658 11495.51161 3683.562644 7117.783732 70336.17206 99950.63424 88673.88419 79003.82979 110433.5862 124502.0863 108384.7959 67399.81302 108243.0717 94822.22732 76023.9408 96819.2378 56040.49494 54785.48496 14144.7116 89839.44906 9050.18171 57777.05552 N-a-Acetylcitrulline 5716.971403 6981.755627 7949.839192 4030.873197 6177.634124 4403.354757 2585.534109 8373.171142 11791.66378 5945.904103 7807.045153 5900.83317 7009.219116 5329.319256 4345.061091 6220.130948 7422.786791 4849.564223 6484.757218 16961.22276 7915.535903 10910.35429 5331.219113 7646.802675 6744.965743 53717.42841 37556.48183 9728.376507 8459.863435 13767.68934 24468.35867 17784.06288 7115.825622 4566.622837 11885.01233 20474.04983 6397.133419 4996.896696 5747.808127 3566.883385 12274.37901 6928.455624 7774.672909 64195.02469 16498.28016 8108.908206 6204.205544 5412.231906 8928.04601 7368.688564 15252.23618 5262.779629 26286.66948 4926.238397 (3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside 37177.03953 4343.481106 24184.47533 24963.9284 17398.56611 10406.35284 14482.64717 16749.19153 18170.86638 1941.981303 1154.611885 719.7886472 2078.134472 547.9607606 1263.664417 4.07813e-08 727.3036058 5125.441583 13889.113 20201.22336 8205.358727 15697.24735 6539.975707 14020.97029 23412.7753 4433.500819 11522.01698 2185.892611 1667.855633 1109.25766 2861.015414 2254.19051 1484.330215 2843.27187 465.6162804 929.4662827 17427.07021 15414.2873 16296.23747 15445.30619 25854.32006 10177.82755 24241.25782 9131.825732 6065.768202 24698.12584 10405.53051 23979.66038 16401.16237 11906.71908 3319.89185 19068.33211 2416.596674 20236.51301 5-Hepteneoylglycine 1683.210988 9072.336794 1743.134273 3538.60732 2575.564936 1586.055103 4189.724935 4668.425637 4784.399252 39262.2483 40026.71909 63057.20694 40598.06069 54274.26276 36655.44845 34616.13159 33447.67014 49185.29363 2389.381325 2275.952171 1866.941589 1502.750592 1822.683429 1605.021547 2782.282564 2681.317512 2273.253681 49644.98224 51505.92107 59465.52593 35046.55021 70529.85564 50855.25347 55639.12915 32690.61736 50649.49035 2623.111634 1194.739668 1317.3375 1507.748834 1409.798258 1898.612377 1535.059832 2619.708992 2108.618095 2403.80968 2905.550411 1865.254067 3938.891581 13877.29501 60193.90675 4281.086674 48111.62858 5690.156464 Lisinopril 11208.79689 9930.015264 12074.2389 9106.839522 7021.321896 11041.75134 10104.96226 14342.06452 11716.01963 4206.752941 5397.116626 10661.25904 4948.125501 11736.311 8881.237571 5943.472766 8939.166938 10583.2227 19821.19491 15385.60407 17030.16637 18914.09655 18737.2667 17628.76974 19232.13252 15590.80011 17215.79444 11106.00427 11246.10397 12108.77211 12176.0889 12923.76151 13474.12501 11663.41539 10047.20677 13085.64689 18592.78692 17114.74081 19034.15988 19410.96827 19730.28381 22280.02113 15326.77227 16585.40185 18835.26251 11874.99389 9050.593595 13332.43794 12037.39384 13553.09479 11514.49628 13018.10585 7731.393761 8889.26212 13,14-Dihydro PGF-1a 109587.7944 130522.9839 87412.12889 114796.0694 95756.86137 99113.98716 100147.1868 80118.69839 73107.70837 172362.8996 140630.8111 85830.48428 185959.8374 95209.81656 162405.3955 62986.21024 91170.86466 47829.98533 113592.7732 51427.11854 89905.41217 94637.9097 60869.56524 54122.28491 61499.53818 74002.62452 47384.08685 38250.37879 54514.27719 69083.27916 39342.80044 64971.97307 66430.93313 42033.82282 46485.60644 52707.93894 103863.7989 59057.5038 74078.34293 48866.23157 84755.18082 81266.85264 52540.32056 57898.9021 89172.93638 36408.91979 38646.63323 43172.6359 59071.98932 42337.64725 52312.16963 49959.36867 47173.61236 46402.31006 Isocitrate 3913.880052 9259.850796 5142.941462 6845.449363 10454.76241 5633.092925 8298.247263 5978.785923 7156.776139 41332.22393 43027.50007 39469.73786 51418.91295 14296.84813 35169.1568 14392.43422 51676.59109 28246.78755 4189.570772 7753.038205 6298.146259 4481.213943 5226.235721 2888.898827 4812.608931 10081.21474 6780.552597 27840.26919 35118.16485 26445.98549 27907.20303 29454.21625 35530.89444 65433.64273 48950.48538 36668.31611 6527.82751 2973.564276 3871.467445 5376.944394 3572.107403 6759.179581 3402.108196 13103.89554 4349.362839 6784.786692 5862.806636 5073.253179 9532.550051 14093.85095 45132.69098 6963.212675 71596.42433 10184.34597 Aspartyl-Valine 6773.296054 14715.71129 4382.426729 5572.510117 3833.715118 3866.288217 7833.121758 10342.82748 8730.280778 37749.94305 34855.54635 29338.04772 38256.09005 23329.91268 25636.37705 17862.41025 27126.85695 34114.82331 3807.112842 4401.401679 4183.722228 1418.889633 4457.117932 4083.872045 3420.059694 5889.297912 5094.520867 23829.50204 30090.94501 27792.53307 23473.1266 33084.72032 25408.82078 29746.88733 13276.73819 27256.49016 4551.364098 3245.403152 2936.405251 3817.076464 2940.313441 4301.46752 3673.665905 4026.844286 4702.245917 2626.783858 3473.128813 4362.529882 6100.318595 13276.38213 33348.49681 4251.712749 32374.36709 5171.668154 9(S)-HOTrE 1287.646508 1683.713386 3041.059758 1392.13463 2607.426113 2024.488503 887.9551239 1475.042357 3699.405619 14146.84926 8767.315459 4011.922618 13204.32399 2805.016867 7625.785785 14669.00225 10709.57878 6658.576311 4294.379901 2955.858385 3632.22756 2870.565646 1751.110449 2221.062285 2389.13924 11552.89143 2304.712851 6371.180356 6003.547645 3061.397782 9717.08841 4957.795872 6489.58941 6722.554397 12127.4739 3703.766836 3188.642297 3086.14166 2372.728765 1338.076126 2019.110779 621.900618 2638.772011 8876.850013 7514.917269 1231.866994 1511.497708 835.5974865 701.9234412 1562.017614 4556.548044 1445.183068 8360.18489 1417.516256 2-hydroxyhexadecanoic acid 3231.345515 2950.914682 3737.095083 3755.665223 2451.883314 3289.23076 2400.147786 3541.421664 2554.995839 16096.97494 40551.08298 2917.553165 10486.79328 11514.48768 2389.620559 12601.6147 10475.8829 5323.460779 1997.871198 2945.400389 3172.960235 2509.88661 2331.338829 2146.731617 2349.469453 1666.770893 2352.186422 2435.347953 2450.890766 4385.100339 7313.213842 1893.898074 2081.547859 2470.754241 5812.324634 7350.554695 2473.889934 2609.344517 2236.571361 1617.094309 1214.908633 3500.483487 1931.978325 1985.278212 2053.055568 1995.72255 2565.825663 2722.85279 2650.173727 1952.456835 1850.161088 2063.834465 15443.83602 2938.869993 1-(3-Methylbutanoyl)-6-apiosylglucose 618.3259997 1181.624713 14.92224702 22.38353702 0.062953247 186.1168166 122.5066274 264.0169469 967.0341799 52757.43235 37238.05404 52550.96003 51724.33193 38203.28913 37303.49817 24729.66524 26685.93177 67447.54586 0.044628713 76.02342212 10.34176937 80.8534892 62.77204866 134.4159856 11.55819863 239.9841391 9.062046861 57550.1093 43887.65901 17059.88975 31733.81206 55468.2237 28527.33384 69393.38631 24423.57721 35705.22508 776.0595584 18.13407082 158.4632451 29.72400978 0.426800994 106.8505779 24.11529075 141.7779394 0.679322672 9.14080582 97.78269368 54.94136541 417.6886682 1292.711526 64188.68424 76.8761278 47297.29269 210.9916468 Propofol glucuronide 4.07813e-08 477.088978 405.8300316 269.7068637 192.1709597 220.8677826 426.0938506 1178.87372 445.9930123 7116.594674 42243.75278 5665.166629 5100.235488 6555.240568 11631.22979 106526.9601 70925.06415 6597.987297 553.2797696 398.0743881 493.4873744 105.5690489 1262.6846 756.6579363 534.5713378 2544.949613 2048.779756 51322.17857 4097.298771 29553.59902 3765.248379 53184.14254 35132.23738 9501.370656 23630.07182 9201.174898 4.07813e-08 643.1866506 435.6705731 997.9718284 1422.560002 1258.78363 1012.615526 2776.810664 2695.54217 416.9668353 1314.385726 445.0343014 1324.638811 1163.739851 19166.53557 1065.227852 50086.37122 1960.04967 Sundiversifolide 30423.85444 19945.97811 24479.50049 23877.46619 28374.97168 26435.52102 24009.90092 32701.76286 29781.65149 561.8917617 264.4261101 509.9486389 960.2464583 276.0743896 448.8073388 28.1525671 72.79375942 2354.592941 44108.44577 44597.00944 70522.79351 44576.8892 47111.82641 40006.12586 39434.12469 37178.88544 42856.45894 489.0376593 394.6070219 254.4129639 340.1664048 499.0295441 130.0007346 630.1743954 747.2326465 638.5036219 33173.60968 35761.72771 31126.72482 40994.89279 41699.68045 45517.06933 38940.47727 35102.23285 59070.81215 25917.63217 23454.33081 25356.33262 23457.15488 21738.92713 717.4945078 24550.73802 364.8986343 28142.44199 3-Methylsuberic acid 427391.2225 401907.0135 466496.6008 400810.6718 418303.1424 556126.3056 558524.5601 451607.4254 320076.782 132815.005 144028.2036 68604.83022 145067.5304 77837.54304 93760.22774 74190.0338 48879.85312 56418.06028 273544.134 612236.5247 385683.5593 419388.2759 366813.5002 295038.3849 337359.0425 438372.5238 588837.5882 40119.23966 67626.63575 55619.06503 54280.47516 51472.74346 69855.47563 61782.31123 104196.7638 57318.90707 266951.3975 509130.651 330174.0768 458348.9442 464964.5616 306504.735 290533.0041 432804.1733 454355.8213 698123.2012 427212.8919 480989.9104 247601.4221 242149.2107 44308.07162 261858.8537 64733.26793 359293.1422 (-)-16alpha,17-Dihydroxy-atisan-3-one 21484.41545 10846.88345 18804.08757 8134.527067 13852.60939 21089.12439 8035.998602 8487.458023 5350.808655 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19844.48101 6266.038773 10776.00709 6692.838186 22039.2658 18668.19182 7595.232561 9289.467586 8907.595192 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11709.23352 8492.374834 14302.18409 5524.575173 11707.97289 10998.1114 21841.31128 8304.201291 13793.61005 3115.088935 2716.348589 4357.398654 5250.41777 3239.619299 4.07813e-08 497.477797 4.07813e-08 5323.461006 2-Propylglutaric acid 981.9647585 1296.382651 2405.269103 2503.089582 1456.066113 16530.33574 1919.676719 4095.732181 2635.929017 6988.922695 6152.440985 8870.778772 7374.597021 6845.491415 9006.545327 5946.86065 3867.62453 7593.129987 4105.430412 1788.757867 2355.63116 1458.766784 389.5183328 2764.135602 1466.80905 1256.503934 1609.700246 13799.98587 13481.30339 7896.47054 10539.90086 14456.57701 11926.83779 16473.20999 6091.823455 7365.010679 794.4983587 3218.158667 3151.566507 1510.523901 2196.643328 1407.245903 1538.185142 2189.36238 608.5149832 4402.398128 2858.53277 2943.842465 2017.000131 2272.9616 15452.97462 2452.0502 11051.8736 2254.67132 Isovalerylglutamic acid 5587.570884 7055.093414 5520.990343 5424.868207 5298.260873 8881.325247 7096.90141 12831.26584 19320.53806 6417.621413 6426.258821 9879.714035 6998.670537 8187.836856 6412.635203 5125.475674 5980.86593 6826.209475 7402.405285 6695.524846 5123.022167 3112.819979 7915.167364 15559.70929 6763.589883 5186.296753 10126.97802 7154.591279 6841.886722 7733.811314 6714.761966 8434.139476 8402.61816 11625.1963 5410.970791 8344.65173 6428.250937 7164.096485 8807.190933 9677.586188 5118.580964 6194.076921 24410.36344 8245.926871 4838.351718 13253.00971 8127.898583 11020.85353 8331.425096 10816.41493 8364.061185 13842.70459 6402.007014 11647.75407 16a-Hydroxydehydroisoandrosterone 5650.540802 6662.469429 9996.674048 10225.58791 10394.19486 9737.539716 7872.578881 15553.19488 11635.64431 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10252.38639 20486.44087 11582.88955 13829.23861 9188.440123 17632.77824 17439.70007 11149.83599 16123.01968 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1915.046228 100.3950292 11316.09677 13406.83108 7457.436426 13041.65517 15230.14678 6917.548431 17735.54489 10093.38878 22823.10009 10042.34259 18730.62717 12607.1147 5102.772024 9329.557038 4190.814256 5416.263549 970.7040368 7634.737695 2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one 50661.40092 50882.6794 53010.09982 48545.20708 49848.20187 49919.63169 51046.5668 50817.45633 50139.2075 40198.56486 37458.16683 38776.83374 37534.68509 46568.84673 39507.60341 47207.33077 34210.59057 45585.85267 35770.3398 37380.93957 35696.59408 41201.38641 39147.57705 36422.96783 38550.64813 40907.3871 36908.06465 36469.39251 43750.80293 42027.1077 50888.79379 39700.42045 39498.05343 37472.54142 43814.91086 49416.20279 42899.61053 39912.70807 40336.0038 35841.71803 35177.34579 35867.56988 38536.7088 41172.7247 42748.17456 47309.5222 46691.50881 42832.32124 43611.39485 40476.10455 33904.26718 40654.11975 42313.08291 49496.35181 5-O-a-L-Arabinofuranosyl-L-arabinose 25460.39468 106091.1465 56010.63368 76314.87893 61784.95051 58827.56653 95280.68445 61885.28699 54839.76125 246698.2806 236678.1222 265318.1294 252561.5024 233229.1999 165978.3423 160999.4118 71273.5809 331627.6604 27206.36857 23482.95137 28466.84506 34145.94015 27408.39448 24160.76556 22936.78463 50718.00956 37438.40638 229791.2161 279041.0139 276038.2522 193959.8034 294198.8086 274914.423 248408.2084 122142.8186 291349.0753 42654.32625 37306.28926 29628.24581 26907.32415 29636.10468 23686.86364 25707.63374 40001.33215 52001.47977 16141.69868 30323.09388 31198.84949 61150.96089 84913.61511 313312.6968 50777.70832 283770.0871 72236.92744 (2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid 32048.94614 27018.88807 14544.60687 15836.62946 10103.13958 15007.75644 20849.45037 29611.4233 25523.86975 33775.42781 24086.06937 18545.47661 34289.69566 14958.50978 21961.44646 9716.708977 14198.23155 32889.62449 10325.46439 10539.05766 19648.50869 14982.57109 18328.32154 7750.35973 16034.3795 12275.87286 8061.162314 22760.91869 25532.22673 13607.85767 21053.07672 24189.74212 20623.92908 29490.93267 9535.211985 14386.40331 21538.53552 9087.161872 18029.70789 13027.76458 21112.6581 22307.44696 11079.45538 13063.429 7333.249732 17197.38888 9218.366978 17397.51249 13489.88092 15801.46598 28772.27974 15564.14261 22378.51548 13313.46663 3-Oxovalproic acid 4243.456926 6920.775305 4309.722707 3703.020375 6870.035833 2939.425473 4313.158342 3721.211548 3316.204496 5356.975393 6425.535224 4557.919155 5968.79552 5064.861846 11602.25916 3951.705946 2502.998208 4482.049495 5609.858316 4076.196638 6724.495355 3796.195941 4788.628221 2925.907832 3682.513008 4331.854249 3466.565037 3293.514755 3981.770674 4181.549753 3052.619551 4224.301692 4311.408335 4110.595948 3756.432906 4170.336998 5639.240396 3309.342339 4509.296158 5383.473892 3418.582905 5094.292492 3124.577998 4738.548171 5742.137871 3186.79658 4003.584629 3358.805848 4188.714294 9894.284486 4062.479265 4324.030449 3664.195187 3869.247288 2-(hydroxymethyl)-7-methoxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4,5-diol 10486.91515 7194.271068 7674.758833 14179.54934 14653.79644 7023.908837 8513.410846 10568.74755 8139.852642 6649.853496 5676.990644 5180.805535 7083.031689 4219.081321 4931.318497 2446.172697 4314.481725 8211.712333 18300.25167 12395.22517 8192.629028 14446.77749 8679.313884 7824.710614 9464.035451 7774.842207 13401.40713 6761.81424 7647.056266 4281.150178 6031.804914 8599.846318 6595.682567 10012.19439 2719.1941 6459.166407 21754.87738 6384.621634 7033.489307 6257.888025 12906.60381 13411.11866 7951.38019 8240.889331 21200.74421 8884.2718 7772.839864 8958.718991 6883.986401 8573.693083 11275.16981 13155.26287 8172.248835 8426.342177 3-Methyladipic acid 14805.60391 12728.27806 15288.37801 20793.39477 20719.06882 10539.3096 14075.5498 13352.80622 7747.269846 3038.874532 3136.561362 3009.322523 2648.232278 3621.116512 2675.085235 3825.510726 2725.222083 3460.888205 12209.58085 14234.64593 10482.03492 21173.09503 16824.80539 14288.89889 11221.67833 10291.66743 18379.19085 2777.176039 3641.413281 3270.852477 3966.726571 2899.512004 2858.008518 2917.96385 3282.003468 3980.616593 11838.76605 16885.95694 14160.13499 14039.94576 22093.30312 14015.82146 15501.5761 11035.47141 16359.94482 8623.763493 8833.371158 12875.77369 14512.40692 10140.88263 2340.400399 13652.97703 3280.109706 16588.30279 7-Sulfocholic acid 11008.62491 7252.38799 10191.43668 18407.10864 90482.12986 1868.092321 1351.260912 6973.897382 221362.0955 2213.278667 254.8214446 8891.721557 2438.555452 6716.16999 6609.572106 1752.501102 2910.184272 178973.1262 10991.21555 26313.23732 12351.58609 25367.98292 5118.120659 9554.535218 7488.432906 18131.21152 29008.5192 427.6589891 3942.518268 986.7867249 5346.220255 1228.003028 1306.937656 1603.792754 1989.583417 4011.875379 8481.131448 10465.16259 4640.286279 3928.820171 18963.6131 3652.454088 8047.239773 13719.17703 19690.21633 42395.66964 32169.02427 14343.21264 26628.98394 11132.77096 5389.268218 30324.93008 508.232388 20171.46124 1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol 11100.80963 2680.815564 9270.437375 6497.417704 8089.510026 10878.63046 1713.116315 6500.886125 9661.196079 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22137.15894 28251.31037 13973.6727 21194.62235 21502.69535 31866.72678 14481.35117 40221.81296 27874.14406 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13145.2381 22882.71702 19901.41442 23229.07908 25138.30223 13159.2905 35629.96375 29523.86901 38327.44318 18460.55085 17902.66032 9652.302865 11490.08446 6977.956088 4.07813e-08 5218.001804 4.07813e-08 14115.24199 (-)-Mycomycin 16425.83941 10151.9015 8541.130351 2332.401371 5298.922894 13856.85424 17282.76749 29321.51466 32615.15862 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20696.6929 85681.85948 9011.554097 14095.02252 95063.95482 22286.0268 31012.90832 16155.74944 74495.98279 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7961.585904 28617.95372 5176.295363 23654.73226 26730.27352 59079.19874 25953.14859 18263.47514 37450.94889 54083.58424 32269.7169 43503.79302 18814.01919 7833.617972 4.07813e-08 11547.98498 4.07813e-08 58016.21608 Kessyl glycol 19187.80506 14170.54731 13015.88672 12007.31645 15410.09535 24238.8387 17794.19964 10986.73138 17845.33024 1328.718159 609.7214049 357.8749431 985.17545 114.8421294 875.5028049 99.24967202 84.55316628 183.5782163 33126.93651 30066.5203 16386.80339 20510.66077 34435.05383 55067.33365 21703.71037 22309.29801 38457.60929 4.07813e-08 114.423551 336.3580589 114.2571487 509.3963573 8686.852124 84.30449196 4.07813e-08 186.783784 11388.8098 22340.14217 12086.21395 19765.27984 26060.26554 24553.15946 65782.84169 18225.90197 55252.40567 39038.82836 21907.28744 21617.61556 12588.21967 6566.67926 1776.163026 15705.7724 422.7250128 22647.41471 Glutamylisoleucine 31240.92049 60789.7175 15807.35058 26678.13798 12026.78684 9473.48304 45624.65274 42683.15188 45060.73184 5825.489303 6548.04999 11295.88048 6074.323477 1808.677054 7437.647704 3623.990868 2555.6503 4975.808255 3010.799764 3817.626814 8299.949557 2278.392839 3016.499609 3044.057345 4371.306545 4023.077599 3992.200265 4348.824316 4904.896821 1507.834465 5724.257531 1774.325129 3131.320707 9116.040699 4457.712267 4632.362159 6654.050221 9393.093363 9524.262209 6352.291551 3893.293908 3222.050224 3065.00353 3677.250248 2665.01788 2318.223812 11436.54076 7035.6553 21139.43837 28958.29226 2460.317382 11377.30567 4092.11369 7814.241843 Serylphenylalanine 9414.225535 17844.27675 5731.2885 10737.89901 5642.941732 5812.973503 11344.86304 15957.93794 13800.36556 4600.474215 5134.732408 3962.129782 3993.112048 3411.480214 5772.214929 4256.534835 9072.445357 4716.87025 1672.817402 2645.903443 5667.74815 1902.64857 1791.418807 1536.17148 2676.914923 2848.203261 2632.96072 3965.878029 4457.283089 2593.534136 5075.259657 3351.210431 3064.680646 4401.879572 6834.699885 5034.364915 5056.707395 3297.788561 4219.796623 4124.578996 2059.489011 1852.039271 1483.769026 2145.083278 2097.855495 1801.992597 5647.980039 2914.608655 7932.898125 19652.38499 2412.87054 2803.757144 3663.41918 2948.682704 Thalidomide 611.7598022 12633.94945 717.2096762 1955.499924 119.4245615 621.7865645 3692.189636 2819.211256 546.0962676 158782.5286 130459.4761 109722.5859 163907.5864 93295.69706 115652.1742 65751.03356 58747.69344 105353.3126 132.3660639 94.6569616 604.6628367 741.1538621 20.36844247 66.27908094 292.5725557 229.7150726 230.0302437 104203.0814 99451.61302 101190.0769 81466.72423 129717.3324 117551.9298 141016.0639 57802.53915 105008.4603 4108.43265 120.7431928 213.2169309 318.8222124 185.7504462 520.1532605 10.5587155 368.5529379 659.8243623 20.43162087 777.4454027 730.7311848 6829.250742 7016.963705 122283.5241 2724.026813 108455.7664 6110.731332 (E)-5-(3,4,5,6-Tetrahydro-3-pyridylidenemethyl)-2-furanmethanol 4220.150852 2855.365744 1633.36232 1763.526324 1161.005732 1278.511384 2666.791145 5762.697229 4343.911996 2740.045783 923.7321714 1341.249405 3167.281546 1390.029859 1641.798004 417.5365693 3883.466019 9203.116972 1463.572721 1240.940323 3851.840971 2218.275154 5920.644249 2260.919137 3838.79714 1129.49628 994.2797368 1281.199417 1863.934045 958.5183304 1738.393488 1209.105298 672.9308831 1492.8037 652.2650294 1355.818508 6648.162911 1341.249405 1296.446071 1814.470792 1635.618297 1642.104216 5339.665319 1274.072337 707.0345798 3486.490896 1714.172074 3946.997599 3336.876302 3525.033233 2185.858158 4823.283162 309.1048919 2439.32327 8-nonylenic acid 68245.82785 34987.12253 44871.72261 46745.42031 56729.16946 53137.64833 34743.18702 19833.90861 30682.14909 12978.53538 12700.01239 11461.78649 13489.13708 13826.97619 15854.77859 14324.39918 9868.605239 14288.17269 73353.45115 45698.33989 48048.67125 48454.18674 38697.2717 55467.68795 36685.02315 27564.59292 28960.66994 9740.012869 11935.35683 11778.68616 14251.60427 10299.92196 10788.58499 11389.28421 11729.24019 15529.28223 47170.2552 37012.34933 39490.21674 32664.63186 44326.05145 42859.38621 56365.73169 26535.76462 29811.24159 74796.77454 49615.99242 48001.24531 32540.6686 45826.35389 9392.550408 54165.00991 12025.94565 26780.05343 Crosatoside B 42.70336802 5.412912644 6.223024303 9.946893855 12.01437205 167.0785923 4.07813e-08 20.95018055 26.08874765 12559.45254 11940.37376 6231.75958 12964.93137 6315.655103 8175.11141 4539.075266 4434.152441 10250.7423 153.3610053 21.6062472 44.38898245 162.0464245 49.80883907 833.2203134 40.15743041 4.639312084 189.0485598 8002.568812 6751.791907 7694.039077 5222.901682 11649.12036 10492.40827 9995.269198 3792.734862 5425.575567 2.285735588 19.74238615 22.87105348 475.3540983 193.6287223 20.7680424 318.2129606 118.4116908 122.6592377 25.18537609 17.98536136 4.705110384 4.07813e-08 6.706336885 12636.68141 5.422551888 7011.392694 4.732041831 5,7-Dihydroxy-4'-methoxy-8-methylflavanone 19993.97394 14011.04686 20077.26582 35707.45262 42011.82138 23452.28937 23679.27056 20275.07657 15007.18432 1337.735142 510.0845295 1192.917962 1924.25853 503.9179183 701.9503643 57.36634641 1273.221396 2793.989458 28435.10878 31551.37252 42334.45365 55935.39272 52653.56782 36810.70012 40068.32934 29332.23434 34971.2641 1181.012347 2010.702617 1929.636758 1111.953105 1240.500556 868.3359512 1764.76086 808.1127602 960.4497368 41657.03682 26348.16285 29567.37299 36843.41131 40481.99205 52058.36962 35502.80141 25290.57116 62942.24824 29233.83234 19393.29174 23069.80003 32834.9914 33086.16555 4241.701005 24430.44106 571.2760236 28985.10886 3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate 19939.03875 25384.92692 19893.78618 47454.90594 34382.68696 21897.74512 29838.50924 30014.80238 16986.76847 986.4314737 848.3949584 755.7681957 660.3494792 612.4987292 376.3220596 605.4081305 341.174403 855.1257061 37169.81284 60129.81116 34357.68724 30068.98336 17091.99761 34437.90944 21863.69973 37801.41542 14137.02766 786.9724205 847.6475675 617.5325356 1110.085545 758.6585886 626.2820694 772.7863308 385.1281791 936.9523409 35032.34858 40162.45122 24173.54538 18799.53889 22905.32813 26648.61029 27558.0851 39265.38087 13904.89811 11924.55086 23134.70409 28902.20444 15818.69222 43310.22925 461.267579 24005.30044 562.007178 20978.00909 (4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-one 8824.485101 8622.100244 9846.318628 10477.02527 13348.22088 11436.93334 10305.77615 7468.441249 7434.864942 3090.181691 3262.950057 3252.914035 3692.88858 3267.692132 2921.393617 2256.612291 1472.585576 2998.383424 14533.98962 15242.70669 14400.6753 13913.18176 17792.74177 16357.05858 13331.33467 16308.79903 17184.53169 2443.686487 3697.749154 2424.274299 3047.756772 3739.800491 3628.130944 4523.496203 2259.311478 3896.781398 9271.498793 12622.04636 11267.40069 13318.57366 14033.17835 16675.03928 15427.79696 14935.04513 20449.81694 12755.69299 10489.34645 11043.14584 10002.70873 9450.472288 4375.664816 11825.53669 3304.556272 12739.93774 MG(20:4(5Z,8Z,11Z,14Z)/0:0/0:0) 8163.198506 18266.28092 16688.69906 14154.99484 28445.51313 15654.74541 22503.59311 21430.49671 34966.25727 126.6779785 4.07813e-08 2786.682785 503.3047171 1153.924939 2288.51472 547.0971078 473.0326994 46200.26713 22740.36187 36367.24953 33453.74081 22941.30328 27714.37463 19911.87333 24541.984 37494.52915 56475.2366 150.3433887 1240.663453 4.07813e-08 286.1648841 4.07813e-08 4.07813e-08 796.400329 4.07813e-08 787.7895955 14984.36072 24209.77334 24304.99638 42257.32371 23145.89854 26405.90709 16478.12844 34923.0806 31382.5157 65241.3235 25793.07799 24900.86608 25621.9445 22743.51214 2677.562408 21071.68332 4.07813e-08 30545.10094 PGF2alpha 17243.15608 6853.471209 9516.487934 24964.50846 17277.43232 11796.16239 6361.97759 11188.06021 16681.32728 925.9748524 3081.580536 2283.263372 814.6396219 694.1869762 819.9292332 1210.998297 4.07813e-08 10478.84885 27043.29442 11666.71298 14376.74831 29883.07485 18005.5942 26871.51319 13023.88145 8756.246689 14339.3798 103.0239228 2271.124163 3156.098636 1323.336571 1013.039446 478.3705808 1271.006749 4.07813e-08 2373.073054 20476.48269 6759.897432 9217.352389 10220.49504 34511.98019 15286.93591 26457.07044 8971.949675 9860.542172 14878.65782 15151.78455 12230.11185 9703.186505 8624.942021 4658.090369 12756.48735 1423.140622 20728.96379 Deuteroporphyrin IX 719.0821861 10747.68087 58719.0087 30518.58753 25002.27577 190632.9133 73807.34494 67914.96745 53291.18095 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 235889.1651 146618.8853 138311.4451 56090.17623 61411.13363 76449.51098 54153.98546 25447.49618 3370.663504 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55210.8911 20419.26024 58762.95411 28640.63662 87846.03647 31782.87643 36066.61982 14491.48655 1100.396458 720771.249 460002.7517 275698.1853 40752.10412 12470.1263 4.07813e-08 195529.5865 4.07813e-08 76090.7291 Absindiol 9521.762617 7009.44322 9654.66721 8217.158803 8274.633403 10516.74816 5269.179267 18711.27379 14077.66425 122.5335725 0.712429214 134.6664697 65.69384567 61.32573642 4.07813e-08 4.07813e-08 4.07813e-08 4371.847364 14899.48338 21764.35891 65403.11233 34586.88113 13658.52091 13322.28794 16607.07068 8072.450984 8151.352558 4.07813e-08 53.39319363 4.07813e-08 69.19032309 2.422250255 4.07813e-08 289.2935796 777.7897868 507.9302848 17985.66793 11085.78475 9960.358873 17151.60115 12954.6109 18765.55369 12782.56611 7536.106805 9392.844513 8211.071329 9041.0217 8410.271038 7668.024185 7623.45457 269.5689299 7118.300993 368.6634562 8555.75734 a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1755.64958 444.5960537 2778.986996 24597.27367 6922.956118 3382.853029 1918.260386 28104.53782 1663.725904 4.07813e-08 14854.01097 4.07813e-08 110.370375 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8353.170182 32004.22142 3799.916439 163279.8043 17550.11784 49143.23794 4.07813e-08 38203.65807 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7159.005448 4.07813e-08 4929.46827 120.0945344 10885.44 908.7663597 TUBAIC ACID 34382.85356 37104.4096 38286.57596 32333.71464 37486.28834 31001.67488 30329.8951 32351.53978 29897.98002 27057.22537 22921.41261 27000.71451 33374.39865 25129.07265 25539.59291 36445.76444 22725.43716 37118.67506 28488.3782 23453.41184 23258.63985 26932.39 22514.25659 20929.85801 22712.87358 26828.54751 27103.79554 22022.63801 31451.87406 26613.14482 31817.29097 29548.96986 25200.18436 23311.49541 31146.27611 32997.22747 24909.86949 25684.32885 24072.82081 21127.77449 23364.31432 23848.72947 26829.50496 28689.12074 26659.11324 30109.58278 27547.99623 24695.32163 26917.52296 27791.59582 21938.15923 26068.98428 28506.50606 35713.91049 xi-7-Hydroxyhexadecanedioic acid 107839.1263 86536.723 108720.2473 104749.6095 103201.2168 130898.959 95790.0468 108460.9442 87571.75089 15939.52218 14414.61209 8122.440259 15288.73324 10146.67222 1486.390711 3991.952594 3844.292888 4042.766626 157782.2964 145124.6032 113185.8429 99043.7484 167809.5506 245934.2878 113647.0792 86565.88468 121971.3382 2463.5691 8670.308368 6381.559759 1890.801851 7027.361713 5325.078962 3299.497294 2850.145498 2825.184068 61901.74459 143399.1074 87231.07947 156866.2701 122082.8226 132115.7472 261306.3553 93155.65755 108236.7742 186960.3801 98883.90748 114774.6291 68423.92741 55284.4721 3294.549368 92840.63487 5007.475898 131693.0586 Leucyl-Threonine 27812.474 38111.64029 18001.78249 34218.83089 15093.35865 26170.16492 37434.41674 37964.64922 65275.5159 4800.953993 5206.676941 6671.003927 4368.582859 2687.264773 7607.528772 7704.19257 7573.936657 4314.885992 4878.491909 5169.622314 10645.18626 3960.574149 7241.5325 5405.743076 6317.90791 3843.635617 3794.559181 5922.994242 5394.645899 2052.695632 7223.109687 2117.081281 3432.808208 4470.220623 11090.10501 4918.541284 9674.175733 9171.478178 11678.0682 12934.94736 4622.574479 4235.08259 6468.955433 2443.396323 3391.784916 5138.377549 15131.04442 8370.721283 20132.71729 30175.89927 2240.233581 8048.582286 3697.301329 7811.923974 Hydroxycotinine 22446.18335 24749.08325 10111.29656 14671.14937 8290.144191 11254.98815 24033.83576 32604.35478 40405.03225 4293.20262 5184.33761 6039.870028 3570.381154 2285.730133 4766.641025 2297.431943 4875.164389 4993.435723 2794.294853 3255.094443 6294.005895 1630.255384 1757.133855 2204.693523 3568.316117 2581.963463 2439.717503 10334.89447 4820.941973 2790.414659 5536.136369 3065.68656 2573.68343 5299.533361 10128.55514 2798.900058 8487.261299 5437.392013 5598.348849 5034.666744 2902.749738 1616.582388 2565.173032 2350.089076 1510.05817 3344.989446 10442.66734 6380.580714 12543.81663 15886.67875 2212.244297 7719.698263 1678.287901 7184.210995 2-(sulfooxy)acetic acid 12512.42923 51624.31458 20398.4592 61033.36957 93741.92502 3962.307704 592.7106936 24923.24862 52275.6801 31076.37373 414.8615288 8725.292134 48085.42009 5599.710256 2914.34417 738.2308007 91.98824127 143742.7088 9680.280843 19174.2063 7310.697825 542.6702299 2302.689635 5290.370066 7355.791871 3269.982014 2666.361103 521.3576949 2340.308957 1700.316842 533.0776828 772.7670536 635.0155453 3032.951915 193.385172 5685.574077 906.5642889 804.1046992 411.4864404 21030.3304 536.5690442 1897.178514 7499.268073 2514.830596 625.7381696 39136.05589 36924.55334 5993.99718 17756.36361 47716.45031 31364.94972 14576.59292 4043.989523 8515.414746 4,8-Dimethyl-4E,8E-decadien-10-olide 13981.26159 12458.52709 32688.22195 20188.47921 12900.99341 35863.39827 30667.18487 24836.61655 18280.11003 4065.96294 1665.664325 5425.169975 6093.350193 8578.289054 4536.544946 12260.95113 4283.998092 1859.680197 20336.41605 34884.4436 21396.16272 12246.59739 34454.45807 45965.33908 27308.26139 24548.85778 30765.8696 3179.00762 6887.521254 3423.339889 5740.262338 8168.776231 5608.424831 6049.087332 31983.26048 6306.558496 8146.011868 20262.79858 23595.89408 38875.39092 14153.41064 23157.87159 42463.40223 27503.29071 16718.91316 48776.19674 36337.04533 39189.52391 15999.83943 13705.8658 6005.37422 18264.03772 5069.58013 40955.4668 Ineketone 32906.82114 56201.56107 41631.07398 35661.74258 28556.04998 54624.93557 54789.07816 1839.05459 76011.80272 320.1626038 4.07813e-08 4.07813e-08 920.0480129 784.3646662 1059.721535 4.07813e-08 4.07813e-08 1712.600838 32100.21833 40710.61634 43254.36852 72281.50487 35631.44188 20065.5975 39538.29644 608.6961321 2887.98712 4.07813e-08 1257.511577 4.07813e-08 2341.840613 4.07813e-08 4.07813e-08 1853.746825 4.07813e-08 2575.923422 54622.58982 47342.63391 49372.01806 26292.14345 44178.50893 44685.85673 17548.32873 1042.230441 4789.210462 21435.8744 58543.45563 58919.09034 33883.70047 31063.95056 9584.122849 44156.96504 633.9916801 3517.771721 [(3-phenyloxiran-2-yl)methoxy]sulfonic acid 4.07813e-08 25239.29048 68.33872246 4.07813e-08 69.12091809 507.6946591 2311.439902 4289.730254 1807.069439 9174.562493 8468.379133 6691.070733 13129.58633 11562.92448 3673.190588 2587.751779 5124.041213 8747.27041 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5366.057876 49480.95719 189863.8987 11181.68131 17459.22695 5175.991841 11090.04541 8616.48499 37977.56132 4.07813e-08 4.07813e-08 4.07813e-08 0.05597623 4.07813e-08 20.12139026 13.25485661 4.07813e-08 4.07813e-08 0.800608726 1248.287365 157.5369612 5444.973755 8105.618422 10283.01431 2997.07041 11749.23964 5208.922616 alpha-Carboxy-delta-decalactone 20488.20848 29170.4401 25047.53935 26849.41574 29250.01222 20927.9488 24923.62268 14198.96107 19788.71259 7226.42945 6651.492639 7259.682314 7729.613455 5801.506768 6639.13322 4288.061704 3136.415215 7016.637954 35539.42805 40589.87504 40633.58327 32670.78118 42797.36798 37051.6874 41250.60989 27471.12031 32910.40395 4364.541624 5600.307251 9242.006542 5356.259927 6367.932752 6419.282874 6247.689833 3980.486381 11835.51023 21264.85578 31566.24954 28853.83574 32903.45134 37478.6189 41236.00137 33294.2648 27840.37557 34725.05178 43703.8874 30401.68155 39905.27092 25924.07791 33344.82526 6131.34877 35867.40361 6816.380774 23962.70198 3-Oxo-carbofuran 161.5512943 425.2454744 141.5864683 231.7684588 134.3833754 232.0156681 133.4540199 142.3688371 77.71797818 3810.028733 3954.854811 4114.52529 3806.772159 2960.952105 2463.321326 1762.318224 2025.506956 6812.84041 393.9017657 338.4947056 39.75540984 208.6561131 77.04031571 392.0276103 235.0284664 375.398748 243.4903754 1177.51611 2577.396686 3613.433535 2522.261946 2808.991023 4144.144596 3237.153877 1186.266365 3254.876746 149.2711436 206.5312776 153.6597529 385.4938806 455.6421005 415.9066434 165.7515522 165.9416676 242.1142988 47.86363842 120.4972721 89.65526044 163.6188058 201.9879701 2950.518165 254.8081653 2484.429915 169.9517794 12-hydroxy-10-dodecenoic acid 53603.38721 34830.66944 44238.18215 46545.95363 85687.38491 65032.2788 43336.71795 45272.8925 28516.82656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.59170064 4.07813e-08 4.07813e-08 4.07813e-08 51351.2251 66816.04461 106274.5886 103513.429 59933.06155 71884.82746 69744.93779 51804.72718 38743.27801 40.80017202 4.07813e-08 4.07813e-08 159.179056 4.07813e-08 4.07813e-08 47.86373191 4.07813e-08 70.42521422 46090.41594 62279.60322 57732.54013 94078.23345 102922.3368 56678.59418 68713.20659 47477.98492 21985.51615 26857.31685 40496.21475 55698.42709 32194.14211 40484.97911 127.4635128 43336.86128 4.07813e-08 44874.43798 dihydrophaseic acid 4241.824332 7489.424435 4551.040124 3424.773926 4236.510009 3674.124399 4030.536102 7096.003496 5044.518435 5951.059653 4863.172202 5526.213774 6076.556559 4288.222984 4855.159602 3016.191121 3429.340985 7112.303705 5250.067608 6595.653526 11905.8243 5653.617999 5037.884674 4650.698891 5012.669024 4158.092822 4567.794207 6349.321914 6163.580616 3915.29313 6307.620895 8691.126864 6568.971083 29934.38112 5925.474521 6114.259936 4689.555579 3529.394262 3144.096906 4770.955697 4486.457753 5039.028483 3994.634971 4640.822571 6172.077893 3333.030447 3805.571452 3335.929884 4218.874322 5258.724727 28404.40726 3488.78971 6796.768291 4646.480245 terpentecin 4.07813e-08 4.07813e-08 408.1750565 634.8061061 1448.180401 4.07813e-08 185.5435154 154.7057262 236.9382154 5.869750979 11930.61066 23.93246199 4.07813e-08 4.07813e-08 5.423358938 32126.13923 17998.19952 4.07813e-08 222.6249868 847.8985797 662.1062754 1321.256993 4.07813e-08 255.3747936 411.8882251 928.177939 823.9740679 0.238240093 4.07813e-08 180.7847825 0.57213573 74.33515661 259.5708978 4.07813e-08 7.405535566 4.07813e-08 4.07813e-08 524.6468121 372.386557 238.0847795 1137.30475 669.75968 531.4349388 4.07813e-08 292.8930136 46.89360328 4.07813e-08 102.8443877 25.88671637 235.8999288 442.5193859 4.07813e-08 117.5059347 4.07813e-08 N-(4-aminobutyl)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enimidic acid 8089.393499 2875.020738 4115.075281 3934.528879 5029.924293 2160.008625 3296.236166 5089.36057 6869.532567 5118.807236 4303.50827 2716.531846 6532.824359 1748.834787 1708.447646 1093.951468 7847.244135 4356.435729 9865.439303 5929.870507 5962.607399 9204.144964 10090.04025 6387.057661 4166.187251 4230.525079 1906.422751 4066.309936 4441.490294 3128.173927 2016.085145 5411.993111 2831.466517 3304.626163 1110.233274 2336.278256 6418.302556 3800.284627 4673.975938 3753.203268 10381.15405 14597.6565 6214.509643 2657.496566 6780.534101 6598.654125 7624.358726 7946.796452 4602.399877 3561.047974 5624.079998 6769.223979 3497.283061 6401.443395 2-[hydroxy(phenyl)methyl]heptanal 63221.47476 28018.92312 67565.92977 50504.3412 9974.069837 143968.3666 153908.8182 60282.30127 60002.53665 31706.92605 8845.19187 4.07813e-08 25161.89617 5306.994425 4.07813e-08 98721.09196 4.07813e-08 11489.74345 67113.70267 82663.15583 80535.78304 365695.0157 113187.3082 229158.982 77997.45601 404133.4526 158264.7739 4.07813e-08 3265.96937 10761.70728 10412.42552 17266.68206 9460.662297 9704.07726 4.07813e-08 16212.07067 381648.5129 141684.0217 109957.3723 73638.73089 389087.1482 51305.3042 226271.798 301804.2619 193174.432 49256.96948 127082.9001 159344.4268 109171.5797 61324.86785 70080.14485 89268.40731 37969.58413 145943.5822 Corchorifatty acid A 400084.9602 276026.8387 358872.6268 236043.3759 257301.011 464811.6484 332760.0737 512185.894 679747.0462 464.7572959 2312.88389 1967.318917 803.5510191 536.1615777 901.6313625 4.07813e-08 720.9811371 1418.427112 1058358.457 883105.6733 502974.3929 353808.2902 702334.0394 1164053.551 478281.5991 802396.0853 751750.5223 2636.916505 423.0222391 1783.207198 172.5672848 1334.077632 983.3576111 939.2631165 1868.575478 1589.401171 208742.5156 622491.3346 432182.0587 532981.5405 526460.8101 453466.7677 1108765.82 714256.8463 893650.6449 878668.9572 445629.3514 484411.0014 227869.4019 136922.7299 2401.865567 417811.2578 2598.870075 600039.1094 (R)-Pantothenic acid 4'-O-b-D-glucoside 4.07813e-08 240.4567963 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 447.5478102 10.26935396 101.0113136 22104.0774 18730.64933 23550.43457 22825.9484 14824.78206 2377.431855 5224.36243 187.1819323 3368.978241 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1105.884545 7038.961865 17983.21802 4.07813e-08 449.6559203 5314.179834 23097.91558 4.07813e-08 3195.899254 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 183.9826809 181.3490763 4.07813e-08 11266.4351 4.07813e-08 Glutamyllysine 2140.592651 2668.411848 1777.468923 323.1268423 2637.288778 1228.388611 1461.835349 2130.439779 2904.034376 20588.68747 16794.23685 10053.65064 24592.81916 4507.360575 11264.20063 14986.85675 20597.54701 12854.75653 7744.176442 5581.470035 7334.129101 5198.227805 5820.373255 2879.062759 6951.550208 11818.74955 6281.454801 53077.18609 18958.71908 4447.500833 12973.43857 7437.433814 17394.38354 26282.85096 12927.96603 93266.54471 8765.505998 3758.590323 4437.328587 5269.933476 5912.675755 6501.657081 2459.589977 9723.075638 8890.970577 2427.833728 1219.554719 1758.92522 2945.316898 4008.638511 9828.385823 2708.794728 18800.3657 946.7934501 [(oxolan-2-yl)methoxy]sulfonic acid 290897.3586 263579.9539 250297.4397 303681.1858 302976.0048 275118.8405 315494.4772 298133.0675 255714.8057 82262.66623 61334.81448 52117.54764 83109.74402 59472.80944 25294.78298 42216.3194 51375.31203 48138.26246 311106.463 422471.7396 301739.787 326319.9623 365291.2648 310902.5599 373299.0035 357547.4647 380638.6001 48245.86566 66232.8327 52108.18525 43331.3609 51816.63659 46675.08434 48751.33088 38876.78103 43291.00196 284092.0099 346412.7475 285341.5403 389209.3987 375477.5903 342175.0408 293497.5755 334775.0531 644620.4675 202395.1491 202058.7681 298264.1111 283611.1775 209556.9292 55221.67624 304823.2693 33631.47311 316788.762 3-methyl-4-(sulfooxy)but-2-enoic acid 135310.1722 145434.8617 144301.9862 222368.3829 298541.5406 83867.98125 106317.2572 97116.92224 96875.07302 161240.2207 118201.4136 175153.2673 191656.3554 126854.7503 72696.7965 115219.621 109831.6332 101226.0905 123623.5371 233383.5241 129984.7691 121694.0325 95322.83805 82371.69439 125139.4268 40576.90576 53265.92507 183842.7557 194777.5698 153422.0078 113594.9342 135681.0761 163252.355 171356.4362 123866.9249 136905.4696 133729.8446 96504.71511 106625.396 102867.4326 121887.5482 147497.7332 75068.07416 38100.2013 78683.98642 48817.33703 138197.649 124723.9426 270988.8004 269750.3454 153895.7299 170841.6908 79626.75779 169191.2516 12S-hydroxy-16-heptadecynoic acid 16036.84125 22064.82239 16540.4463 15455.19393 25505.67858 24083.71605 27467.16333 13574.74416 17100.55 19257.8087 11051.05419 13058.98362 15859.4901 17310.56081 24989.386 17209.49708 12653.01263 24589.83843 17784.48321 23247.40359 13559.83076 17547.74533 23969.42477 39267.80794 13627.61095 41915.42663 24376.90159 6563.443573 11676.24204 21056.14058 15600.34354 20543.47086 82925.9407 12973.10962 13792.69517 13741.96213 10509.74659 17119.66381 10991.16416 14354.12641 17174.06196 22635.81302 45913.10286 28927.30643 47173.86054 40690.28034 15020.41852 12486.87513 10521.94982 9374.037631 21378.31206 11226.1506 21881.37208 14584.12282 N-acetyl-L-2-aminoadipate(2-) 46917.00771 41074.47474 42418.38832 41626.18008 52165.34145 47379.2244 48799.43105 45356.61119 39491.33731 11033.68276 9195.445252 9131.449885 10908.32561 7682.772276 10143.46161 5656.324256 5351.127468 9333.789859 73589.4151 71239.34103 64349.39102 63506.29678 82171.41925 70522.34018 64405.27349 90975.67789 85991.16369 10918.57777 11285.20487 7488.320922 9285.772963 11350.04563 10263.67253 14126.11535 6534.067409 7878.868527 51948.02909 62865.04419 56054.07287 64589.54853 69712.62533 75687.95837 69434.73087 87734.34384 108594.4213 51262.04187 46678.48542 52578.97058 44968.00432 48264.56611 13392.47215 49331.24991 10412.36115 56456.96628 Phenylalanyl-Valine 2805.177013 1467.364612 5720.592351 6117.923395 9231.625331 5257.848918 6595.501216 2209.66226 1804.944589 265.6365445 301.6830739 43.6932664 132.9002807 4.07813e-08 4.07813e-08 4.07813e-08 116.7221889 59.40517424 5406.125864 9431.495965 2627.1765 6386.784649 14501.11141 13217.97053 10812.67531 8136.025073 13901.26529 118.2583812 90.79124819 51.4617748 236.3408873 188.17708 43.69959385 86.83749565 4.07813e-08 139.1920313 4146.897867 5645.140423 2125.502449 6804.04765 8157.832043 10312.73119 12658.19479 7849.778607 8969.741932 12118.77963 9161.887529 5601.82105 3381.270116 2657.143443 314.2565354 3945.716857 86.34976891 11790.84828 N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin 1388.221338 1656.126998 2432.158934 2186.383128 2452.815836 1973.894712 3266.064142 1745.266337 1382.216456 1027.314262 504.862996 855.9983078 817.2154622 913.3553672 887.0464975 700.1298129 83.74998781 367.1879858 6886.298208 6598.142911 5437.451114 5172.2711 5644.283561 5432.314683 6347.525642 4929.17642 4479.053116 1672.891129 1353.199658 629.0530736 1259.30328 2242.760228 717.9306723 1533.7791 1391.72396 963.5133233 4310.98487 5037.791346 3810.929629 5197.759199 6386.01786 6418.694709 5841.08229 4379.102709 9005.412692 4639.001597 4574.831441 4816.650496 6526.026384 3470.864368 2481.07915 3574.08674 120349.5763 9817.706599 PGC2 9154.847882 10244.78041 12758.44069 20222.16319 22548.10239 14417.75972 13635.63376 19625.99696 18082.73633 86.13191757 944.4616255 137.6961722 46.17209496 31.63333629 162.69574 164.915063 1579.319856 4.07813e-08 25976.0987 36697.27721 34621.64504 38080.79916 36083.19869 58288.29569 66415.83531 13225.67902 14911.3775 128.4608451 174.9514109 124.2606102 4.07813e-08 237.3667589 264.7210856 182.2918669 450.8526503 4.07813e-08 21288.32165 21671.96182 32149.17659 64946.56299 41640.34537 33450.5662 58140.46484 12157.47127 45262.28579 31802.69871 38857.88869 28801.23054 17637.14712 33746.43892 22765.96229 16208.71796 4646.718282 8430.335077 Gibberellin A43 12.4309465 161.8998908 4.07813e-08 19.80007361 4.07813e-08 31.24042786 2.294560532 163.3082342 35.37301517 3931.100959 38996.26631 2654.962519 4379.331428 2776.502728 14172.58382 73945.03889 51193.17327 2843.686153 26.7432066 36.90255201 86.00551769 21.85347334 50.53358888 128.2856285 47.91319105 3.634374223 4.07813e-08 26746.84875 792.8193622 47773.40175 878.2524002 88138.9766 33502.48198 9120.998047 24409.83591 46728.88351 4.07813e-08 39.46631956 24.49213819 54.12374101 17.41321536 8.479786066 92.3121529 5.423819499 256.8107694 8.895214356 4.07813e-08 128.9375479 268.1553537 23.22293696 40762.42908 4.07813e-08 111705.7313 4.07813e-08 6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid 40914.40426 34152.85727 46967.68371 52023.44609 53750.8834 38690.21115 56894.64115 62821.41439 38244.07646 10756.72516 10854.78653 9791.319501 11053.67264 9210.130345 5156.257703 6138.755671 5082.451459 7800.53388 29367.59498 31091.72258 33389.18436 32127.81348 52017.70881 51582.84951 52168.59303 29969.43583 35774.33385 9784.893342 8587.07177 10495.74604 9060.363598 11690.69828 10820.19651 10126.92601 5496.037171 8822.36024 34519.39363 52361.81097 32607.8074 40690.84921 31482.29569 43935.79739 50173.43881 32481.5945 28899.32875 36549.79932 33602.82288 37444.21148 28982.34535 32594.43948 10504.65435 37356.25261 10384.97251 33840.77915 Apiosylglucosyl 4-hydroxybenzoate 4.07813e-08 2726.258901 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 573.8912206 547.0769011 4.07813e-08 171019.0771 130889.9624 89670.02524 157497.9696 67144.64282 120148.6042 43586.58846 31174.41936 34474.53558 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 130673.7444 142593.9301 61647.67118 119710.7791 160169.8268 106611.6726 205548.9142 46266.25848 68297.11443 4.07813e-08 4.07813e-08 4.07813e-08 71.83734448 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 948.5781678 2062.096003 173835.9549 682.0058633 137604.7446 6125.181184 9,10,13-TriHOME(11) 433768.9864 358133.2707 377935.378 436493.4105 387619.4361 349007.7692 262600.5141 224369.6072 300470.5174 100897.584 96262.6023 96518.64225 98147.63607 110393.2384 104692.4272 112964.3717 70367.53597 84637.76916 375324.0052 286582.4308 358514.6557 340253.1704 406740.4062 481354.8727 222509.605 323335.231 255744.5789 47554.31038 81384.49702 103022.5878 78784.6935 74480.10671 63475.80849 84445.8035 87368.52931 92742.46849 231944.4239 317851.174 282918.9238 278303.501 314537.5584 305636.2553 527628.7415 291473.5436 417580.1231 277131.7715 174351.4767 246935.1572 250812.0015 216162.1575 57918.49352 267009.95 66238.31349 373400.9627 Quinic acid 10730.41897 33641.3645 13129.2516 11728.52463 13279.19294 15625.611 50566.05715 15947.26492 11997.65559 475277.4974 325392.3276 62305.89079 476367.2227 35377.9439 278654.9462 26841.00935 105132.6687 194927.4474 14619.69316 12967.44731 12574.97878 11326.63632 14081.26305 11966.13491 12910.64163 16998.76598 15287.93477 443812.5928 359809.3155 50950.68143 265697.6871 115825.2185 181828.4259 289237.9546 53796.70519 54474.08899 20566.05172 14560.7736 10898.07642 11839.27964 9850.981145 13913.11781 12862.45926 20974.20105 15284.57411 9590.492623 11527.5831 13321.88811 17451.8325 40709.13509 481912.6164 14928.02084 376203.5633 58855.00813 Tyrosyl-Glycine 1867.02469 3921.866715 1530.235243 2972.499664 1204.564818 1870.555133 2688.950974 3025.748676 4244.384783 4943.540871 4489.471604 5432.844434 5099.624058 4145.174122 4978.292542 4705.200801 7203.934494 9654.110907 899.0869429 995.1153888 1268.755847 673.9209386 860.8113985 740.8623482 621.5026511 735.5652224 1052.610334 7873.71621 6066.215776 4412.400738 6051.99278 4995.722678 6408.85318 7664.240666 5329.687825 4481.413131 2388.023953 1088.175663 1135.456139 1155.532781 637.9771911 804.2989813 623.9355226 828.2935136 499.3333686 343.9430049 1537.581161 743.9823582 2108.782169 3394.010213 4485.187992 887.1977078 6220.056959 1162.814209 2-Hydroxydecanedioic acid 11444.12836 9960.39371 11502.13819 10440.15796 13692.06635 10979.07874 11447.88331 10308.20119 9204.287682 2568.623275 2844.177941 2243.104307 2887.377328 2236.810519 2320.882723 1289.203008 933.1529282 2290.309782 18790.65892 22041.98594 19964.91353 18288.80259 23940.62945 20018.46378 19392.40023 19902.88707 21281.91751 2879.399975 2870.753792 2158.018792 2772.780535 3715.678547 2520.309974 4221.08797 1725.383887 3224.324117 11975.2238 17376.38833 14047.99216 17317.27211 19451.39423 21571.84284 18707.71259 19197.52824 23370.66165 18533.44711 13930.44355 16389.98181 14197.64208 16297.52573 3679.206828 16529.07186 3313.487633 15320.74156 (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan 117478.3716 89684.49038 123927.8754 115647.972 145361.8971 150482.4296 115917.3538 161817.4599 141780.7688 1405.745765 681.6719544 393.8567386 1652.272809 4.07813e-08 542.2961382 115.9160492 754.4613445 618.959962 216957.8213 228275.4109 306058.7298 254148.3252 259247.8818 262517.5389 206550.9832 239293.5275 273769.5259 507.6078354 633.2796704 1471.492469 285.1497954 78.66865978 637.9374038 866.5203221 603.9494131 4.07813e-08 117521.6446 204349.5863 159564.0373 243713.2784 229820.333 210291.639 253394.343 217805.851 253890.6689 212302.5465 158952.154 156082.7183 123563.2078 104527.2562 1839.7559 136334.8725 838.5759685 140564.3034 Pteroside Z 7702.164753 9320.83835 1691.181659 4711.080807 1557.118156 8710.655393 32278.57529 18531.30611 10798.42423 4.07813e-08 19.82136647 4.07813e-08 112.525819 38.50606092 4.07813e-08 38.5089439 4.07813e-08 3.565232569 3158.599509 2971.873896 1411.370941 3025.929632 4473.796703 3353.947798 3739.710103 2273.636178 3204.079679 4.07813e-08 1470.994855 165.7516603 4.07813e-08 424.3464525 170.3609374 153.5219976 4.07813e-08 23.21105352 6600.366759 2680.472516 3605.747761 2898.066746 3734.419598 4735.822895 2708.45409 3893.963603 3727.77056 376.1764483 2716.996136 7288.12832 5345.81646 10669.48623 7747.09392 3633.259595 14469.98171 11751.75819 3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al 175887.5397 254181.4395 262386.3956 172385.8396 381289.3555 173096.1516 212262.1107 275057.5099 639451.8982 138225.0602 6887.494011 376512.3337 164315.1504 355195.4372 416871.0581 119604.0163 84783.6649 1149318.597 203440.8819 226285.8286 261738.5629 171866.821 131768.4878 69712.38437 140971.1782 105479.4095 123328.9427 36331.08779 132881.721 17490.15553 72959.17937 28641.70765 28799.52479 112142.0149 25672.30318 89550.03312 216383.833 126108.1188 214877.1263 237413.5259 120887.4605 199544.1889 67806.4803 91517.47992 118162.9531 473227.4019 457474.6008 268372.7638 381297.3537 309151.1152 202779.3099 421707.3782 49635.91358 295449.3779 1-(O-alpha-D-glucopyranosyl)-27-keto-(1,3R,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 33131.4892 46653.76886 86465.23145 22093.40016 117514.4366 22855.67785 152363.6438 45819.52201 83556.70075 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3769.791887 18548.77059 71163.30477 6677.624308 30375.15707 18863.72887 4182.366108 37309.87988 81686.34432 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9568.61771 4.07813e-08 35342.46635 4.07813e-08 2-{[(2H-1,3-benzodioxol-5-yl)(hydroxy)methylidene]amino}acetic acid 3217.323888 21434.65516 4449.77036 3492.260104 2849.827404 4297.726101 4850.621559 4451.956242 4922.632325 12831.42408 10520.13081 6458.639184 15845.93359 7510.256666 5666.08409 3331.720711 3653.334774 7084.881266 2038.201568 2582.769419 2057.480449 5008.577132 2297.036311 2237.846411 3361.041349 1705.518362 1708.864062 2326.58656 6528.784978 9264.542117 10396.31427 4979.030402 4069.339832 17099.93183 3750.773203 14460.46902 7044.092844 4111.706133 3729.749952 1923.697838 2970.879979 2725.212148 1526.486617 1881.937459 2665.764898 3979.663174 5683.470261 3454.700001 4462.668139 7006.206169 6500.03916 2630.81076 6663.203285 3002.692812 8-Hydroxy-5,6-octadienoic acid 9417.937882 9745.446585 11135.1396 11677.46085 15796.52974 11773.98902 12335.33902 9866.797476 9054.37697 5537.704184 5801.586451 4475.737279 5604.080589 4849.171423 8159.881913 4292.979002 2786.727313 4980.207858 18302.73611 19137.56618 17891.22139 16298.19731 20890.38059 18249.52672 17308.38737 19941.13295 21818.76944 4494.636028 5372.358275 5111.026116 5313.673535 5613.95171 5293.056742 6124.663329 3829.831937 4868.710887 12860.83004 15721.78468 14578.38485 16887.91146 17307.4853 20449.68144 17620.88024 20278.77398 23548.33057 17772.24273 13751.849 14299.9705 14396.94458 14296.81146 5602.564549 14421.48526 5066.942582 15583.19762 8-Isoprostaglandin F2a 4470.316119 1421.989044 4089.160261 10526.17655 4785.422554 4664.468018 1222.157038 3565.744626 4965.500424 4.07813e-08 1043.920531 926.2889836 4.07813e-08 4.07813e-08 91.81687123 148.0861321 4.07813e-08 2869.44769 7360.24826 4954.322497 5486.192976 13975.06669 6514.546279 9537.455956 3040.540448 990.0475148 2215.327349 4.07813e-08 769.6437169 1048.35309 734.2552617 4.07813e-08 4.07813e-08 126.5123248 4.07813e-08 128.0151758 6077.103899 2094.065158 2926.753195 3759.750278 15037.67187 5532.385075 9689.752778 1040.764405 1605.397016 2700.796624 4680.839112 5000.595582 3741.024533 2697.457612 1201.482018 3366.49937 4.07813e-08 5170.186963 L-Serine 3744.35261 6684.848444 5441.140045 5595.242183 5110.086469 3489.553919 4319.415825 5641.767217 5732.412466 1000.825778 819.2415104 945.7694581 960.121082 2145.379382 2181.343076 2910.567477 2769.320636 4419.897191 5509.946812 1688.953036 6831.858668 9843.22715 5819.464392 4317.129001 3015.287601 5552.251123 5542.086844 1765.592181 1713.771388 920.1514288 2326.292288 2372.317775 732.6885773 542.7349898 3244.506261 1345.960053 4159.965493 4007.888779 7275.229765 4749.087947 5529.29101 3181.436123 5205.102845 5291.079354 7340.201809 1708.550918 3620.024181 5938.031138 7657.51725 6604.539455 742.1182985 5869.219042 588.3333788 2616.514308 Serylvaline 17507.82275 23775.8355 9641.432287 13536.80442 6283.897909 9951.880814 20599.71841 19834.89343 24893.20475 5081.058172 5385.617151 7119.092188 5085.845369 5429.768806 5560.865309 3395.51906 5220.100424 2768.512743 1597.918194 2950.126473 5003.633929 1854.870896 2605.269364 1618.603978 2794.881618 2281.364539 2951.054717 8216.627577 3432.652698 1069.02775 4729.342574 1485.486277 3645.307827 3430.745219 9013.728859 3522.940333 5408.820404 5054.40532 6786.374943 4504.459515 2430.276435 2280.776282 1789.327485 2366.359799 2092.259786 2032.643152 7567.803156 3974.932917 11037.63073 18435.06877 1982.125286 4067.869169 7286.569282 4952.724808 7-Methylhypoxanthine 4804.283459 2673.428488 3931.37772 3269.410232 3295.00014 3801.959061 3447.272461 3037.195903 2926.285862 5.95877098 21.51338862 36.13363977 9.003389087 19.8085491 15.20683255 22.73807703 45.42248044 16.85402511 4929.596011 6197.635091 5330.620493 3723.331197 4328.692754 4695.372529 5697.905497 7617.172764 6106.183975 49.58442477 35.55189211 20.14748115 24.01779081 22.01435329 10.69018277 29.5020581 21.88595415 15.84225008 3117.694097 5044.244988 3295.705299 4901.17476 4429.621235 2686.604579 4296.836443 6575.174447 9260.683163 3205.015547 3813.258076 4092.77044 2809.669028 2315.378715 36.1122943 3306.831204 87.60212693 3507.0628 Caffeic acid 3-sulfate 4.07813e-08 67.96759666 4.07813e-08 4.07813e-08 4.07813e-08 266.1765771 4.07813e-08 736.9617793 4.07813e-08 3755.893143 4929.161641 3735.562945 4593.390421 3012.048974 4077.265799 2723.947739 7425.567227 28802.78591 188.6968847 90.26187636 112.7241431 276.8394222 319.8803291 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6642.321597 7021.070695 11258.35708 5024.106063 8611.653196 5235.690449 11717.70876 2441.085945 6343.881808 4.07813e-08 134.1467792 4.07813e-08 4.07813e-08 181.7864923 270.7180689 231.7759316 4.07813e-08 4.07813e-08 373.1438806 4.07813e-08 186.7843126 48.12000626 229.185956 18052.25093 4.07813e-08 5086.628165 91.66167643 7-oxo-8-amino-nonanoic acid 5653.323765 3735.244609 5770.122892 4758.142866 5544.992763 4364.411258 5558.441429 4318.421671 3992.503636 2998.519834 3474.942445 3741.574481 2758.443638 4758.848609 4022.021964 5154.293181 3198.164163 3064.20272 3239.188641 3822.880431 2990.106245 4541.335119 3385.380827 4067.969237 4306.191362 4901.247256 3094.544491 3288.548838 3178.91567 3323.178119 3844.011433 2637.398466 3007.44091 2857.124625 14020.10225 5000.936837 3871.58107 3975.892764 3362.407887 2858.689347 4446.821693 3081.026684 3451.757306 4516.207609 3535.856916 6311.425322 3480.49738 3319.591439 3376.097968 2919.00636 1918.186728 3066.6116 3682.65858 3908.886444 10-keto tridecanoic acid 22843.64413 11226.36452 14824.88387 13155.55248 15789.78554 19089.38962 12454.44904 4434.391913 7306.650913 2807.507087 486.8697061 4.07813e-08 4047.312456 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29377.00921 27610.37747 29611.69707 29128.71255 37492.95368 23569.29612 21423.65544 5834.307714 9587.165084 4.07813e-08 437.5123599 1143.336119 162.9027838 73.79529151 4.07813e-08 859.3253536 4.07813e-08 87.64625775 18066.97729 25098.03977 20399.49061 19515.33225 27414.61135 37230.74377 27478.92245 6157.002593 11973.88453 19142.19924 16867.79855 22543.09417 10418.96738 10805.61663 4.07813e-08 19960.98733 814.1708108 9272.036359 15-Oxo-ETE 25423.55962 7761.215403 12735.24941 14300.92911 12932.33362 14566.93062 4246.137027 23124.63815 10208.12762 4.07813e-08 366.3467727 4.07813e-08 93.92462033 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51139.52596 31456.83771 26304.01949 44053.21937 20047.2696 26484.0239 13572.27815 20825.86558 5841.19921 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 150.1030568 4.07813e-08 4.07813e-08 48074.55388 21958.23908 32802.61646 36222.34464 48883.35989 20212.31709 27798.35062 15445.73552 37681.69325 13193.43899 19518.43218 10496.3808 21239.87278 22765.98758 4353.853936 13333.02163 3458.028347 6557.618347 Dihomocholic acid 32429.4862 27376.319 59963.12977 36538.28929 41367.6541 51058.04897 64963.28075 68095.34683 40303.1676 8227.668951 7385.326855 167489.401 8840.403529 182674.7064 327870.8851 91504.4626 65875.20612 254753.3652 48275.41455 29848.4685 72741.5101 65487.60693 44122.11952 35423.44413 51281.0343 49452.79745 23728.10031 140948.3558 23185.00002 15090.20567 27856.72841 18672.12222 42808.72173 33626.13997 125436.1862 20349.3421 71423.30713 29138.31845 77076.03126 88084.29225 66451.85035 54094.62135 33128.93692 38864.25786 28262.46587 98681.32191 78623.76058 149826.3628 109578.3708 66282.51133 55675.75616 105923.3401 8890.524563 42255.76127 Galactose-beta-1,4-xylose 178331.03 372259.8251 314089.3885 471107.1292 488601.5891 310698.4968 494412.0393 408469.6437 258498.7888 842610.2636 783744.1751 1073039.2 789948.6466 896802.2956 544065.7445 697528.4485 244615.487 779330.585 67980.41158 52492.15134 69736.26784 82155.79231 68234.1427 52539.76135 98663.90737 49751.31773 105651.206 908932.5264 954506.6476 1024746.737 741991.3227 1301583.466 1217713.62 832759.061 486227.1019 964426.2373 110580.6405 128905.6725 142250.1537 88088.23435 80314.76646 86090.4532 46023.29417 56129.77164 50595.56873 43626.91012 52032.17081 113228.8006 195738.8642 328373.755 971408.2549 128230.4136 1071720.93 191183.039 Leucyl-Hydroxyproline 15696.96317 20473.82169 10263.82476 7897.53844 3930.279702 7895.237506 18558.82258 13229.09776 12432.55602 61687.1629 31637.98441 30600.23165 64324.91723 12373.26335 61322.31945 33322.27352 28619.18326 93358.58826 3915.041428 3373.597794 4465.923394 2395.308782 2286.166615 1770.347598 5189.120001 8742.804792 4423.872418 89326.51979 69068.11373 21045.75267 111474.0847 26481.99273 41457.93207 122982.4464 40311.97718 36039.78956 13233.20584 5786.076668 7293.266904 3610.977158 3487.840567 3762.264706 1653.781763 11326.42296 3687.161086 1892.933368 3141.290236 8491.244188 12114.73382 17635.34781 56342.32079 11169.2885 61797.30705 10212.16957 Cucujolide IV 17757.17815 17086.22659 19836.34845 16429.49619 15638.35063 16832.92292 16358.42828 15695.61765 18387.34505 12808.41197 12417.83526 14397.09268 13477.32492 16532.47856 13685.09004 21771.34782 12057.86432 13797.17311 13619.3002 14390.6771 13744.71691 14946.6835 14098.40669 10962.56368 15482.02444 15289.56159 13381.16227 11406.32907 15647.98639 13888.42559 17057.23353 13430.13889 13481.51006 11541.57314 38420.74862 18401.43473 16410.3082 13983.62322 16225.82106 13607.17658 11936.6585 13083.15147 13861.504 16527.11798 14776.69887 15769.34905 17719.8958 15321.04081 15925.64011 14740.38263 12741.87303 15092.93921 13982.45099 19491.21432 Urothion 1331.725982 2064.665768 610.3926489 1256.405375 2437.588956 578.2828173 1008.978019 1903.984756 3233.242985 1930.819253 4175.384074 3317.153639 2053.686401 6259.550579 2382.93108 5570.368807 9699.104189 8386.088413 2803.516614 444.9316014 1423.063764 1660.729273 208.7831708 4.07813e-08 698.6381884 66.95170543 55.10783245 2938.395637 4969.666356 7515.754353 4700.438452 8505.006067 2292.78119 4255.050071 5966.628315 9847.948461 4287.871169 499.8613602 298.9945979 504.797923 1127.959296 1210.882673 4.07813e-08 4.07813e-08 186.4795204 4.07813e-08 1068.362606 1456.85635 4236.141735 2304.475559 5013.543035 1243.018321 2248.077438 665.0781994 Indoxyl sulfate 4.07813e-08 4427.973246 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 129.9805534 166.1321707 27.89124771 59.36340089 138.3691778 31.94619338 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 156.5914139 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.41119653 29.33354977 183.72802 2866.989297 4.07813e-08 54.36229624 1391.829213 708.9661813 1312.871851 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 235.3746328 4.07813e-08 503.9371473 2870.299898 9578.933181 4.07813e-08 36780.92084 1333.792149 FLOPROPIONE 663.3668934 980.488198 666.3732545 1100.223294 680.1809858 681.0855959 772.2810957 810.2038134 930.1040384 4.07813e-08 4.07813e-08 56.30364177 4.07813e-08 31.87303708 4.07813e-08 41.2739388 4.07813e-08 39.07286564 414.6057713 728.4224603 853.9140892 3947.08555 190.4390257 218.723157 1274.898531 1833.436898 994.8227116 4.07813e-08 35.43762592 4.07813e-08 32.85673168 4.07813e-08 4.07813e-08 34.84794851 66.21065341 52.94752126 2688.269448 626.7435298 1060.641108 471.5265544 1507.862188 1199.355372 173.2058873 881.6809441 10825.86141 104.9715219 90.38419191 477.5541817 652.4294948 1151.859613 4.07813e-08 747.6778211 31.68151675 603.9598716 3-Hydroxysebacic acid 5746.512391 4180.496952 6426.411004 10436.09365 8016.696834 4978.475313 5899.605216 5325.732488 4160.791639 1126.097719 676.1390865 646.0686589 1088.910197 1832.009379 1065.714349 910.3436131 508.4210629 1320.359803 9910.083461 8001.886028 9692.847486 11140.81742 10277.26727 10346.19553 7502.077913 5981.844718 6884.510858 639.0228737 879.6074795 1160.221216 867.9906454 793.5000307 851.999778 1002.083443 847.7478327 1342.481042 7369.416982 6483.600432 6899.871903 7529.909257 11989.02927 8680.77542 9847.255293 5662.462794 6541.569557 9376.108761 7772.663178 7023.730872 6547.141455 5786.977054 808.3184422 5572.626875 596.8467579 8055.089312 D-Linalool 3-(6''-malonylglucoside) 4.07813e-08 602.7840041 265.1140517 423.3686176 910.8386092 830.0759331 1494.073431 2062.92598 751.8246783 14752.23974 29241.06701 26981.4175 14494.65089 23472.44025 20925.14736 81609.89473 43829.12554 12090.49682 247.9017871 705.4975391 2095.165736 419.1091085 881.4249228 1040.89724 305.4719437 2731.169899 1036.761565 35175.59904 12151.63422 39079.94374 6147.11897 36729.13018 37811.9347 18302.40519 25138.04937 15854.40366 138.3444003 290.8264604 910.559163 542.0033489 558.339574 501.7243725 492.6740872 1788.973781 4.07813e-08 131.5962896 790.695464 579.9744652 1480.720405 1328.294474 36192.919 1700.460729 59984.90594 2833.541572 3-hydroxy-2-methyl-3-phenylpropanal 14099.02532 13189.93718 14166.39862 16451.90586 26355.56528 6794.078686 7567.489399 13027.05973 9991.109327 6969.361533 1766.128271 12303.96609 6924.627389 12022.58 5909.147399 3712.393217 1037.45428 11743.5548 13690.06282 20131.79571 6641.53086 21859.19211 4604.731696 21912.8575 11841.90024 37533.62324 36883.38669 1078.11633 7093.300621 9161.380885 5775.972499 2248.349479 2428.767111 6827.656466 2963.834447 25769.07801 14588.37154 15602.97744 8246.207224 12312.65579 23201.1428 7932.913371 21616.5969 35804.36861 28984.45959 3329.263212 3919.063021 6342.59827 14593.33948 8814.196036 10958.39693 7083.760889 2756.780864 10464.01569 Cinncassiol C3 22730.33846 20437.52329 24685.36955 24077.7047 30081.34679 26483.09262 27748.98616 24205.76016 23937.42112 7246.947765 5537.597916 7237.477129 8126.664328 4744.475555 4686.50168 2425.577733 3862.102094 8714.861241 58494.7009 59709.17352 52506.46452 47950.33755 65851.70314 53771.27012 56062.8654 62509.11651 61997.7539 5950.013738 9619.027249 6598.805965 5809.301664 9665.627665 7161.839053 8728.810385 3680.265132 6287.721611 34415.59354 46394.10767 40945.65902 48745.92729 57083.81361 63377.94963 54788.75795 60538.28867 79916.20831 46367.72167 41561.08413 40323.64522 34511.86578 31204.88422 12172.16178 40920.50421 7723.320494 40507.21974 Genistein 4'-O-glucuronide 146.899993 4.07813e-08 4.07813e-08 4.07813e-08 201.9853835 375.5748478 4.07813e-08 522.0486064 4.07813e-08 1421.188823 25840.94883 281.9625472 733.5120969 665.5685012 1123.438539 9524.477769 60520.24352 4.07813e-08 117.1233498 426.455063 684.2078264 420.8186652 892.9579055 382.8787248 4.07813e-08 448.846047 487.0075567 26459.59636 287.558934 6637.020249 3212.103521 35917.345 12825.04699 1271.475261 21779.07414 849.8838295 237.5037559 330.1818274 298.754051 650.0789595 139.8664273 163.651678 481.2281052 526.8480901 527.4642597 247.5098016 4.07813e-08 269.2292455 4.07813e-08 4.07813e-08 2504.321236 4.07813e-08 12487.11788 4.07813e-08 (E)-Suberenol 2400.692347 5139.494468 2146.697469 1066.326202 656.2986013 885.9715234 1744.30288 5129.969139 4964.323371 9062.850115 8206.051284 9523.223101 9066.726554 9037.077586 6205.959395 3770.376226 3857.02726 14905.82823 34.66127207 206.7325416 578.7199901 705.83491 4.07813e-08 4.07813e-08 4.07813e-08 636.1855795 96.07379506 3818.662298 10060.05181 7810.282148 14608.33858 10453.47191 7763.102622 29272.58066 81378.07292 16939.1724 458.8807028 4.07813e-08 233.6956913 56.81409523 4.07813e-08 46.07444118 50.72220623 304.701612 48.79224707 4.07813e-08 430.1579309 948.0095728 2141.150865 3431.432729 11357.24221 1890.895785 17530.88047 1226.871377 1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 88851.58899 132940.729 101452.0087 137995.836 181396.1843 172199.9907 157283.4943 125273.8936 75588.74441 179657.9827 161532.1847 148417.6303 178317.8493 152429.4527 104436.0317 127202.3853 92296.3301 120785.6165 78148.537 64094.53958 70995.56273 76159.61309 116289.0757 91298.64342 93407.64363 89442.4289 90869.02091 114181.6054 140221.715 147210.2144 120190.442 127864.4441 150994.2217 127839.6152 94581.49487 144651.1422 92895.5546 90151.07483 76464.05673 82564.88145 74892.84976 92856.8595 86348.14095 94365.03082 88735.16742 75630.44385 71112.78073 71367.58352 87062.43521 100444.9866 134154.7335 78756.75413 135056.1016 91658.13933 O-methoxycatechol-O-sulphate 10873.36851 12850.48938 12428.88114 10215.77313 14537.99037 9474.750545 8946.830741 15581.23278 15188.29778 26917.44881 44672.49053 20652.2947 31623.24193 29037.15125 60938.94249 12487.08363 26511.96908 131709.1994 5685.185814 6009.98033 4999.368913 5521.341418 4075.786918 3816.000719 7640.948348 2684.091363 3012.266559 8694.153132 15044.11461 43824.25474 13437.59751 27700.86007 15352.84916 14644.59802 7431.870428 55380.65961 6131.456532 3272.690906 4131.494694 6470.708468 5213.571331 6952.070692 3369.764347 2115.94288 4851.047903 2344.694288 8483.298289 5878.422188 8246.271239 11802.55406 27298.18153 6947.985531 35506.56611 4661.931718 Demethylated antipyrine 882.6301869 1721.710036 864.1727969 1180.340239 523.5341654 634.561204 1304.895893 1375.868398 1584.492471 13406.15511 10438.23442 12367.90903 14085.07405 10897.67668 10573.00068 10036.68572 18148.89609 22859.14823 454.9523584 648.1514096 329.8931556 487.9253621 177.8888092 169.3460336 521.5973822 607.1345627 449.6348525 18310.72437 16754.92213 12264.66211 17948.83191 14100.32188 17044.73866 19387.01489 12316.763 12579.77357 1753.090841 708.7795139 496.7096004 341.3503376 275.1111904 438.7481772 284.2623928 655.5655612 221.294383 169.8284048 970.7472473 1196.68002 1201.385519 2360.776228 12624.9876 795.6722589 15500.28637 1195.222832 16-dimethylarsinoyl-9Z-hexadecenoic acid 6592.260228 20551.31301 5405.092261 8385.837224 5497.556807 12146.44167 10487.30732 20172.72811 17288.42427 54901.27782 35635.02701 26384.01768 57285.90685 20711.19164 31966.08574 21097.31015 29809.31306 43941.66052 355.0825972 698.1036914 2266.176969 4.07813e-08 405.3010728 1108.810612 608.6221634 505.6389608 1151.648842 37630.38326 34188.55148 24768.81483 27609.07735 33449.62487 18096.30463 34744.40436 27038.61725 31632.71102 1556.251888 774.1970988 2999.87614 1596.873957 518.7684151 762.329994 668.0074523 337.0823277 319.2408714 577.7966481 4846.45669 4136.040693 8396.744021 18401.78255 29415.53649 5320.702784 25006.12298 2969.957478 Ezetimibe 832.184411 1165.543521 282.514879 392.7113519 4.07813e-08 409.24838 256.153755 185.0528796 1036.291628 33851.45865 30852.04411 19890.4737 35763.36279 21863.05769 19113.73923 17055.80333 18348.95497 32322.71365 157.8875659 132.060278 335.0193006 163.9952996 4.07813e-08 46.59980124 143.8294078 221.1575792 168.8439997 19704.7534 24157.16788 35975.23231 15496.29121 37047.22898 20377.72083 22945.22856 8232.307352 32083.23816 654.7669857 78.63781347 329.9579256 353.1322271 94.34023461 366.76491 53.5867245 249.8265306 245.5769193 374.5228118 428.9048206 139.877024 428.0498193 1370.845823 34795.26128 463.9450929 31294.39247 322.5274025 3,4,5-trihydroxy-6-{[3-(3-hydroxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid 36.90279762 37.41743027 24.9538949 75.1613257 32.40801821 73.11755285 4.07813e-08 61.64739264 4.07813e-08 19635.90004 19954.47328 19136.67317 18269.75873 21020.97417 17155.45532 14138.63015 11027.97898 4694.335257 226.6912655 167.8114097 836.5489822 255.0641937 97.80530493 105.4765879 210.6075556 134.1187521 69.0195923 16772.11759 10923.48528 20834.53629 11352.70031 19979.36906 21159.95172 18542.1461 14995.35654 20154.74786 65.0657624 4.07813e-08 126.1209935 367.9849127 48.931261 348.4147006 4.07813e-08 174.1369575 223.6283015 4.07813e-08 4.07813e-08 24.03242216 154.7211264 133.4820987 19310.03133 190.1147545 17113.87615 82.82547143 Dalbergichromene 6863.580495 6060.018331 7279.104113 3897.941672 14745.50787 7479.302917 10107.68465 2642.587635 6556.35027 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12556.64408 17276.27093 21556.97607 7912.359228 24889.56194 13622.0453 17627.71675 15115.14713 12957.27029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13352.03403 13530.39646 16607.29881 8906.809405 10545.13956 24042.72319 13456.70393 11434.61528 51749.61939 10321.97882 9768.839523 13518.46214 12189.93228 6739.598982 1201.879717 8186.177376 159.6677358 11966.83776 Protocatechuic acid 13378.61445 13365.51864 6508.858549 6101.748896 2687.37097 3138.402415 10322.52692 8120.120435 4652.859044 517.0032405 791.2970856 601.9761505 678.8268392 641.803857 1638.994103 689.1825166 510.7422672 600.7709051 4868.544694 920.9424506 1659.814809 1916.023016 728.8837205 432.2824822 4239.839671 10968.79863 710.3514708 3181.811266 900.5965137 644.1825589 1511.698247 748.139316 1530.168033 1094.248835 1578.383268 771.173204 22339.34613 4336.657513 2999.489354 533.4562937 710.7951214 1909.427145 583.8830989 3548.313767 2145.136292 552.3366085 891.1968733 2648.382542 6611.210258 10066.3083 908.6620792 3648.510938 840.764005 2243.771334 Ethyl (S)-3-hydroxybutyrate glucoside 5570.015523 9434.012368 9248.323508 8610.311315 10227.78761 7588.116508 10013.51501 4038.771484 6700.32027 3736.070183 3575.211205 3694.533873 4232.096282 2689.49945 4677.973666 1434.176422 1434.343029 3889.833274 13314.32939 14267.34782 16054.33233 13296.29464 21527.00867 14235.92501 15213.74357 7141.439637 9688.611013 4388.242413 5103.779416 2840.163441 3027.846709 5584.598868 3928.831552 5097.819983 1693.127878 4198.67942 6281.864736 9189.115396 10103.21313 13556.29868 14309.7031 20051.90545 12245.47966 6904.655289 9249.542438 17477.76949 12681.22977 13800.19044 10377.763 11725.67345 5641.295912 14345.96097 4466.645031 7269.654223 Flavin Mononucleotide 9301.503056 9147.492886 20351.85436 11990.9823 11335.28874 11170.08007 10533.25714 11830.16343 11855.25724 1791.629753 720.9157859 2040.049333 1252.977166 439.6395842 2379.467922 596.3492021 466.3715114 415.9039056 17214.3202 12874.54203 9102.917307 6001.69559 7993.86055 18236.9298 6854.875417 7808.960139 12888.87264 257.1818124 809.2261005 1458.67686 1068.386799 1243.928179 706.8645362 2247.426644 2102.424473 866.7322878 3150.474037 18126.85549 17956.99448 12473.33821 6241.161085 9759.908087 22766.80173 11005.7389 1691.951562 14973.53268 12660.01917 12788.92017 13967.9763 9533.133677 600.7638849 12440.6437 2487.836141 15573.21668 1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4'-glucoside 3183.696486 3182.924046 2619.706314 2137.623035 2230.082344 2356.783367 2447.109445 2039.339134 4754.982934 7494.738173 136577.0521 5966.992981 5648.271838 5105.657881 14874.25764 360286.809 196661.1642 3916.973394 7050.536438 7014.923923 6086.774045 4327.076147 6933.596721 6065.273311 5679.405974 6891.729634 6771.458509 138430.5309 5233.11978 77990.72675 3950.283986 140212.3621 133545.6529 8852.285163 78767.12061 12239.2288 5287.236584 5865.129054 4464.874762 5027.679334 5287.075333 7468.965564 5713.40052 7130.450172 9246.879687 3995.213525 4634.307806 4060.395507 4524.77345 5057.691883 19768.09001 4237.345258 62383.11141 5412.285062 1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol 4272.966457 4132.647752 3572.641133 2921.938696 2924.450972 3614.489721 4452.529726 6285.686767 5154.622012 5294.816582 3495.620618 3558.380441 4073.659897 4532.040994 4757.573231 3878.306865 7660.081453 4264.032745 7867.723946 8871.503366 6295.038768 7253.707053 8384.949258 6641.749592 6971.557147 8506.516586 7160.072668 4752.116931 4014.367882 2452.826441 3740.175773 4563.566855 3222.340259 4049.145421 4284.414283 4137.398171 5413.149475 5898.072521 5623.577458 6107.375279 6926.898892 8102.874968 5983.07403 6320.878122 9452.629899 5200.503628 4217.717156 4913.591115 5499.701755 4516.111859 3251.139848 5069.465145 1433.318163 5256.418252 3-Hydroxytetradecanedioic acid 176784.1633 97522.57548 141232.2383 152226.3944 162972.3292 176406.0634 128390.0677 52245.18557 89974.49606 10515.95402 8349.358571 7306.966696 13636.2183 6250.337042 2602.04944 3031.245639 898.5774647 3605.132069 234359.6953 196322.2796 175321.7944 186914.8852 260914.616 191917.1464 147329.423 69166.57745 95662.2474 716.575786 7298.610379 6287.140661 2245.342795 4459.007984 3233.605344 3652.248488 1949.940193 4509.649265 119127.9651 201473.805 171649.1493 137590.84 200760.963 248675.4062 182872.9722 71628.42268 111171.6943 170906.9499 148067.3396 181748.0356 92370.32106 86982.00559 3676.984755 156764.7732 5771.368197 126718.1355 3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane 12420.4313 11404.36223 12079.79843 10674.515 12706.22271 12115.67875 11880.49123 10786.06345 10260.18553 2074.242942 1328.671454 1024.167235 1923.944818 1128.232437 1228.21213 873.4835674 433.3180555 1864.333835 20874.12275 19895.14992 18106.16721 17236.02582 22264.14036 19797.6293 18047.76097 21043.55128 20998.95274 1273.759771 1405.818944 1333.849838 1348.658414 1886.575712 1619.787548 1563.967548 1062.860743 2012.740246 12112.73379 16103.33122 13766.85046 17688.26767 18763.97857 19491.80445 18717.63806 19959.86864 27645.31473 16657.7012 12831.65227 13450.618 11471.20826 11744.77272 1958.643674 13696.73346 1529.462799 13774.367 cis-Resveratrol 3-O-glucuronide 15220.23404 26995.15503 25903.12487 38026.36035 40442.64588 20319.35214 32728.03078 25512.76983 23285.68856 359.2823529 447.8093236 543.571775 532.0153984 504.8806988 525.2049995 254.0095967 506.002826 2308.890903 1665.131076 3171.02537 5261.601762 8612.983646 4910.530547 228.2125429 6865.529513 1483.869047 4934.126753 484.0031704 945.8440072 1131.061857 409.4466609 459.5724962 473.5548624 789.4086247 993.8647668 902.4343678 19867.28924 5471.804123 9348.915094 4114.213978 5588.536625 7129.842376 747.6497442 1907.080339 11292.31723 3514.723295 3550.134184 7190.38043 18400.13629 17766.50048 676.5940014 12513.53722 645.2711683 11392.95989 {[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid 2381.84768 2580.625621 2166.015153 2736.140865 3611.554375 4369.004133 3795.43071 6634.846165 9245.31845 0.440171506 13.40954543 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.8665226 4.07813e-08 4.07813e-08 4744.08576 6434.49766 3291.148588 4976.697741 4240.768388 5033.975313 4312.864003 4203.835314 4504.136799 4.07813e-08 7.012659665 16.75246988 0.469748585 11.96954671 7.513772218 3.091516145 4.07813e-08 21.80179711 7450.473306 5906.379942 3576.959989 3883.289567 5158.20586 4946.41736 5362.530031 4846.251458 3100.552492 4475.359015 15473.94149 9727.05062 6415.216144 5024.754849 20126.60066 9905.791288 989.0072452 7498.514857 9-undecynoic acid 80184.04713 66463.11426 71062.58409 77512.40369 74286.63535 67625.94184 86265.89856 51956.77093 57903.97888 9893.539834 9503.911094 7476.382393 10785.57311 8902.751131 6939.153124 6942.494399 4731.827558 11922.03904 80702.40741 81434.72442 77590.88565 81996.87848 74014.48393 78116.35919 75938.43885 58086.03987 43932.42707 4453.280076 9371.791465 7961.425198 10465.05131 8866.667884 7371.36272 6418.370651 13331.70069 12788.58316 55990.65179 89585.85465 73743.95318 51594.67843 75168.58184 82116.73941 74840.77863 56111.00641 75397.15897 63192.12318 53511.999 93776.93239 54004.58167 38196.58864 7068.839797 82773.63231 8192.547943 51844.47076 3-Sulfodeoxycholic acid 33.40661861 2014.770928 555.3619821 764.9512517 4266.308715 3077.466777 799.6036227 3957.377542 28772.40372 26151.47398 2875.098683 38319.96366 23423.11217 21996.58511 27740.48603 48637.42005 10238.43508 223763.3819 4.07813e-08 4.07813e-08 4.07813e-08 3682.750936 15.31952315 179.2952878 1069.994247 283.6833402 25.77964827 1618.319876 11495.51601 11648.10074 15616.47461 11858.00209 1865.358083 16516.25541 3750.855137 39547.82619 2114.923897 190.4350558 4.07813e-08 17.65898971 5.391914337 24.89096003 36.91155461 9.322879355 66.78914442 12.6842004 37728.78541 6856.24158 2844.212285 1541.003451 101390.0632 10763.3808 49241.04992 2961.432063 Mono-(2-ethyl-5-oxohexyl) phthalate 87379.86843 74126.91885 54364.71643 69164.98374 53591.17501 53121.96455 101817.7283 112680.3502 80484.04133 450.5964766 1438.180699 4.07813e-08 4.07813e-08 2450.153506 70.0628907 930.4851014 2371.781677 1054.896975 51064.27628 41974.01109 26564.98802 52752.73929 28823.3479 38882.60166 62378.15403 60370.44793 46776.63209 84.44677447 4.07813e-08 4.07813e-08 323.6297958 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 232.6723515 36180.95018 21329.19549 17762.39352 36176.99635 61003.43507 24264.48141 38529.70596 48516.34206 63389.84874 16849.52887 47256.12117 31183.37596 54067.29119 47849.47991 44059.19442 37388.31258 7025.514711 66213.19866 24,25,26,27-Tetranor-23-oxo-hydroxyvitamin D3 12121.16075 7187.395984 8734.55178 4687.449588 6877.701982 9362.813946 3800.551835 7159.739404 6014.85991 22939.00412 113.2262377 18585.06412 21821.02426 37722.1249 41769.01762 6414.82266 6371.7873 30580.52299 557.0838115 1889.029209 1003.74647 1447.698915 687.6632508 1665.128254 1408.496734 748.7056843 3418.261701 2709.689825 20275.03728 4793.623667 22405.33661 19780.66302 12199.56246 46795.18874 3748.305243 22112.24596 789.9027802 308.8134872 187.1891942 1866.980212 1763.472433 1445.298864 1527.494249 377.7196084 2994.803406 4.07813e-08 4822.806119 2592.63475 8173.768787 8616.424229 8807.891666 2586.909463 6957.482366 3184.292669 Glucosamine 6-phosphate 4.07813e-08 330.9002453 4.07813e-08 4.07813e-08 2142.727908 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30174.35149 35834.73953 37068.52695 31967.73665 67905.03048 27993.97144 239202.7459 86667.88659 109214.6383 2419.938275 1013.445424 261.3908991 342.8693227 835.3525953 537.1832706 1577.984792 2056.303718 564.3576498 86287.91265 54928.38104 103602.347 60976.66496 115536.1673 27262.8634 16214.88408 51260.3473 118078.8538 1928.167774 204.1005034 4.07813e-08 225.5174573 253.9599742 1928.585337 541.4701867 1121.547061 3596.033862 338.1438092 3.792902566 4.07813e-08 17.31158985 4.07813e-08 52590.75867 8.57738737 61237.69821 1197.792171 Valyl-Cysteine 7051.371508 10206.67616 4163.145343 7517.520583 2817.763238 4269.378865 8751.025073 9352.542699 14571.19611 600.1373828 761.6580019 789.6932244 601.4292636 652.9613641 1075.945044 1131.173626 999.7033464 870.3655665 898.3443045 1140.384782 3205.429666 691.3439043 1065.884921 883.1146327 796.8833455 1469.376343 1797.635801 1192.698414 964.5672466 838.7550299 1484.314549 1181.366149 785.7926538 672.2183405 1155.898818 1077.026172 2174.749581 1773.31093 2916.971688 2471.790504 849.7578174 587.6124193 1062.334963 1284.335834 583.4110707 1291.157788 2632.910078 1994.500476 3941.83599 8614.142338 569.6146551 2064.714838 1181.306109 2041.465644 Deoxycholic acid 490419.1438 666718.4824 1636598.862 946044.9579 1305842.613 3941373.149 2201444.437 2157141.584 2038107.609 113752.9873 35704.2503 364462.5121 98607.04384 380656.2708 374352.4612 190658.2773 300865.6266 510996.3927 1422414.129 4143389.328 2731533.009 2776309.998 2684096.924 4244825.414 2254261.432 892391.7828 273374.3566 96484.23422 376157.8381 74339.36336 221106.4821 54432.91019 34714.73355 374712.2727 184775.6005 281268.3945 1297034.526 1325982.524 1395478.674 1934161.716 4250125.039 1257668.311 3270640.185 748848.9785 107173.1488 7120568.323 3598063.07 5258683.49 2006150.499 1538199.828 1119186.31 2495103.619 210725.7504 1842621.828 2-Acetamido-4-methylphenyl acetate 4381.945033 5302.759584 2572.143763 2515.726064 2377.567383 2525.496196 4467.509818 8999.237238 8016.239592 10221.53778 9320.567651 10307.23779 10051.15154 6525.725283 8305.079608 9977.275712 10894.98301 13967.50254 4175.830901 2851.716676 16639.57194 4402.121904 13524.97971 5102.935397 9238.596432 5390.45259 3200.365264 12578.16138 12119.86553 8420.512894 11578.78787 11089.05053 7691.858781 13327.02747 10597.4533 9257.775272 18676.26887 3330.605705 3296.321747 4563.928371 4085.582774 5695.354852 9714.603693 5055.656243 3803.096168 8000.572097 4304.604702 9268.47114 7485.655479 17633.08058 11359.22126 9973.416102 9143.904305 4816.49154 xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside 229.424896 1158.921023 177.2985724 320.2427306 89.25185907 77.72575828 863.2060409 4.07813e-08 639.3581309 5187.860075 24958.47083 4456.386583 3054.822668 9884.134326 17436.85536 39327.40649 40638.67576 4.07813e-08 61.78021573 4.07813e-08 4.07813e-08 4.07813e-08 91.08886931 4.07813e-08 104.6702664 4.07813e-08 4.07813e-08 42703.6417 2560.369792 70902.84022 6105.754098 57846.26778 24614.05511 10081.82762 22924.6003 47346.37595 1465.770175 4.07813e-08 4.07813e-08 132.070152 4.07813e-08 134.5030019 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.08220549 423.1645465 332.5362542 272.5911031 13485.88226 215.4602372 8281.457066 4.07813e-08 Deoxyloganin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.45078398 124.9149819 2117.273108 308096.634 304.3024151 2095.397917 482.3798296 3149.928844 634846.9273 687510.0643 1322.638745 19.2231265 18.68070609 4.07813e-08 4.07813e-08 4.07813e-08 19.79648523 4.07813e-08 4.07813e-08 4.07813e-08 536347.4668 402.3326262 208209.3983 1623.962786 434582.4343 344019.799 1608.868233 326619.1194 5111.225758 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15.05081934 4.07813e-08 4.07813e-08 4.07813e-08 19.7994091 282.3597481 4.07813e-08 9.279386696 4.07813e-08 6293.041118 103.7782608 216713.5779 367.4393027 Valyl-Aspartate 39333.1739 41053.9079 21696.53455 27577.1488 29444.05496 24472.25024 31181.8558 45157.9523 66967.15444 7223.9768 6252.773407 4164.423619 7209.496148 3410.127006 8397.551415 7475.313883 3951.06122 5707.696243 8123.6709 7437.110145 12937.61495 6569.174769 15314.61133 10025.34537 9522.968421 5777.352638 9153.579949 20026.4662 7067.163882 4654.702089 7928.800276 3681.178878 4848.676355 6948.338753 9063.989253 8549.422587 11568.95394 10276.40278 13830.93448 17006.20822 9342.657455 11561.41702 12572.15916 7754.140029 6588.801096 10716.88761 18425.71715 9410.088224 16911.83096 30581.36969 4724.211673 12864.33698 7554.991859 11980.82367 3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-cholestan-24-one 5332.525908 7597.636765 24646.61091 11600.91403 30041.19595 11472.37611 10930.20187 11676.6374 23906.80243 2981.195543 4449.286345 26074.43052 2264.242282 28068.22339 51440.32213 46787.46247 177715.7831 62288.50115 9495.018991 11547.02757 13338.27145 12250.07302 7202.36464 12929.68282 9964.498757 18595.75972 2654.470017 8244.820115 3586.954567 10442.96455 13636.36091 8124.075276 15044.1107 13102.4308 43892.9744 8511.974707 13341.09047 9204.075996 9453.05783 25542.60481 17672.33262 8148.76324 11759.76037 13680.53793 7748.43345 13466.61928 12480.9255 19487.25315 15238.14154 14016.80187 13301.45242 25197.97215 4242.250659 5336.808667 (3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol 16130.57177 24966.48833 22842.84927 24326.89757 15165.27044 38184.4099 34615.92369 15486.05168 16146.68578 12441.75921 5482.679369 8552.878306 9095.076528 5278.138366 1572.719895 8865.478647 5061.801647 6270.333969 17078.68587 34704.57169 14356.98917 17260.25617 12406.37507 36994.58355 14552.97703 6064.603374 3327.056013 1309.387663 10456.32635 4687.987598 3451.946088 3558.576012 9465.183796 2102.657998 2947.005982 4924.227997 10479.48943 36586.69746 13869.49476 12612.26589 18017.89475 10032.74969 36502.36169 5059.001583 8188.858382 16691.81613 18409.85607 23067.75112 10250.87542 6754.59548 1762.771646 15031.72313 3868.977458 10406.42652 (5-ethenyl-2-hydroxyphenyl)oxidanesulfonic acid 454.8918028 6839.318038 49.92240862 55.74582203 4.07813e-08 4.07813e-08 219.0170747 174.7390428 4.07813e-08 18030.80459 18470.08957 27534.67695 17743.62169 23312.34351 13582.96947 15016.89219 9300.055206 14000.83133 4.07813e-08 188.301312 96.66765413 82.09394337 538.7332109 4.07813e-08 86.48267567 225.254151 4.07813e-08 14306.97131 16122.79454 25062.1288 11114.45837 19522.12161 24981.77852 18369.58523 15375.15853 27590.90003 1096.244322 4.07813e-08 4.07813e-08 208.6230998 78.90982121 445.3929671 4.07813e-08 97.37168183 1132.755994 4.07813e-08 55.31681161 41.69618802 354.3341673 2618.441395 18350.50231 50.14348632 14311.72132 826.2124932 3-hydroxy-tetradecanedioic acid 176252.3855 155244.9992 153284.6241 174750.717 172126.0822 151482.3927 137050.0161 103786.6884 115348.0669 55998.35794 73114.10902 42709.86408 60543.1773 63035.94554 64374.66785 24127.20448 37018.96506 39304.37037 219417.3038 259657.6824 193632.0264 238709.5972 243803.9607 196128.2002 174472.0774 163952.8613 130496.9331 24638.62406 46111.39321 41416.63126 27386.30273 47925.25031 46853.91585 35151.46794 42078.52819 66001.62173 143152.2056 218895.3625 170228.0328 164249.7119 245694.6929 263173.3774 185565.8403 155228.496 225370.7413 168247.175 165203.0359 192785.8619 112343.3649 112579.5165 47077.2901 163030.852 37415.76767 172357.7519 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 5846.256404 72338.8601 15849.29665 18323.54679 10080.74101 14261.33963 29294.49201 53701.91839 108859.0958 114242.3411 130787.2522 77502.30957 124902.1676 110109.83 84805.13736 123564.2807 233085.6354 142253.3396 9450.28938 12344.60829 11691.73605 12199.29618 17444.82847 13865.72619 13348.95323 16622.9781 10247.20483 163100.5321 70517.88514 238571.2507 56978.91956 134006.4027 142803.6132 99149.4656 94626.83388 270286.1991 8398.915934 13747.20064 9946.51251 12098.32185 11755.90843 12398.91486 9811.145142 16004.3913 21921.21479 5420.634397 42744.01343 17817.94769 41964.68797 63416.79175 183158.6645 28606.68969 119791.454 38211.28394 N-Acetyl-L-aspartic acid 28433.71659 49937.76295 45845.37975 29525.98252 59845.0831 40942.3044 29483.61231 31409.30064 57236.47438 14539.62246 15776.04769 17285.34334 16077.09943 13903.96437 12675.72678 11857.2509 9773.74139 38238.35044 13189.25039 31338.88886 51766.32971 31885.4643 31632.93737 16022.00864 35201.70953 130999.4794 145478.4505 39012.28543 37204.50604 33255.12478 59539.32302 42327.18366 22983.30178 27264.17831 12472.98224 38225.40785 19879.87749 15143.41078 30422.15179 53302.40259 19415.28343 42149.53475 10903.95108 130618.7906 51708.14891 36361.3276 20297.49755 17753.45077 46020.24448 55040.84873 42244.11078 25781.89982 74228.47277 26002.13073 25-Acetylvulgaroside 4181.866443 4873.047605 18825.15183 9163.899934 14053.56732 49709.56379 24764.38438 26068.11256 22732.54595 4.07813e-08 4.07813e-08 3233.160519 4.07813e-08 2851.030615 4057.770723 887.8121108 2541.88844 4574.538507 15626.26572 56274.76696 34188.48661 31442.6784 31481.28815 60714.89435 26539.52623 7151.547929 1580.294338 397.3880834 3109.332589 4.07813e-08 849.6054755 4.07813e-08 4.07813e-08 2560.124851 1213.148592 1927.531469 13407.49452 15502.97232 14245.14483 22275.74398 56704.44005 11211.29637 41759.33907 6825.440695 4.07813e-08 100242.8555 47068.76277 71553.77065 25783.87107 15949.41639 13498.72405 31950.64422 689.6360563 19317.98969 Isoleucyl-Valine 39527.04369 59690.40977 23850.86079 39194.6459 21175.6611 26355.23995 56240.00216 49279.52732 67711.92665 1976.583882 2221.414699 2634.259963 2289.074333 598.9479715 4054.917558 1756.814333 1581.893424 1242.78793 5790.839895 6052.303935 16039.16181 5131.331297 8276.038972 5635.469545 8058.818579 5064.529826 5582.461931 2218.247925 1359.816187 466.1843911 2134.926135 573.1140049 1336.510575 2565.120456 4008.517218 1729.097565 12060.9887 14670.19251 16041.60191 13786.37892 8349.921495 5877.553527 6527.736593 4224.00358 5554.739968 4915.76026 17293.6027 9001.734216 23709.33796 36798.47237 909.5406057 9370.221722 1893.362524 9076.809051 Alanyl-Phenylalanine 12894.79155 26743.20278 6429.23766 11157.76167 5029.139983 6263.983127 14444.5899 19588.30353 20807.52026 11065.12916 14099.69228 8614.779067 10349.20594 4641.819216 12546.30528 12841.13168 7793.449694 8003.416814 1716.415459 2361.428876 7960.097539 2137.934315 2111.540223 1641.519861 2435.968249 4350.066052 3248.627127 7023.121808 12654.1791 4824.901552 14090.12765 6008.34775 10228.18987 16056.01254 9544.075258 9925.645446 4257.251712 3912.198749 4851.807401 4572.052153 2042.124199 1465.606078 1549.854276 3340.449795 2285.303028 2018.202551 5076.411029 3494.290206 9168.589391 27431.62628 4732.212387 3257.986608 5661.7767 3511.651832 Valyl-Hydroxyproline 4772.680113 8025.582024 3582.187446 6608.269669 5869.921315 2018.482872 4217.69982 5735.05045 4931.093404 16426.16428 13810.68852 18097.03193 16302.29847 12723.74476 10039.71083 12940.97317 10823.58903 14409.62859 4648.504751 1794.366592 4990.245086 3060.830134 3381.599741 2002.243168 3611.464572 4868.911743 2464.22627 16295.35688 14216.00771 16158.09599 13746.44268 17611.54992 13968.93144 17455.11492 13383.85013 16100.63432 10341.20496 3336.438441 5656.796068 3204.911165 3128.974373 4543.995551 2007.553009 4774.414092 3444.710307 1551.125505 1971.066534 3746.435562 5825.000058 7976.116242 15721.43476 4648.258397 13560.45173 2039.522303 Pisumionoside 4.07813e-08 4.07813e-08 110.1097053 138.1023113 272.0738259 309.5976755 3450.302022 443.0473768 122.6672482 505.98647 646.1489934 453.9639032 279.3950689 167.1611366 118.2971459 3725.979397 1134.673933 439.7270984 4.07813e-08 100.9808079 92.29601298 113.8669128 182.4963624 345.4951574 509.1945796 630.1870923 738.7641235 2286.901852 265.7084552 452.4743624 4.07813e-08 772.1628355 609.9080142 285.6190144 117.9912356 541.9034688 122.4981929 248.8761807 4.07813e-08 249.472176 97.47188088 557.2789148 1079.610979 271.9712242 537.8382837 123.6509567 202.0540904 246.658199 4.07813e-08 338.9981323 92342.56762 249.9921731 117970.8901 7374.877815 N-(3-oxo-octanoyl)-homoserine thiolactone 4.07813e-08 856.7768825 4.07813e-08 96.18426279 473.3790114 7061.914913 12837.66876 258.7403146 4.07813e-08 358.9847788 1540.403548 220.0751184 288.6576458 315.7085083 3722.584232 103.7858554 525.9763903 1385.507665 4.07813e-08 959.6411059 141.3043154 4.07813e-08 134.4754953 5475.349353 3815.300818 411.0357124 4.07813e-08 208.8715841 4.07813e-08 157.3052057 65.69621148 208.9023052 961.1116736 173.8323737 186.2160771 211.9441403 68.91206748 868.3371997 154.2584529 55.53317228 4.07813e-08 182.0306666 4511.950368 209.0418087 4.07813e-08 4.07813e-08 68.89677504 4.07813e-08 4.07813e-08 69.96882925 1851.093424 228.2167971 478.5581964 104.3475377 (3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one 32506.25842 42519.23739 39458.29014 44251.16209 50989.99866 32755.1444 45486.04219 20937.81494 32550.01881 12008.84342 10749.30777 11159.29109 13249.65078 9899.028059 10504.70749 6322.918554 7524.843856 10276.56465 49779.17229 51170.97315 49502.85989 49634.58329 74004.08471 43171.83763 51003.18526 30049.20286 32544.23266 9288.687995 10260.35162 10052.81103 8089.602026 13793.59491 10942.15886 11914.3633 5907.09449 12324.22994 38021.3547 45910.87016 45397.23931 37444.54251 52557.79919 74230.15144 40071.68162 28409.63282 41558.31785 52255.44793 39440.83361 60165.21322 32407.51781 46881.04795 15595.17071 48511.37973 10525.03792 23365.80597 11-dehydro-2,3-dinor-TXB2 1172.487476 1292.939675 1502.315465 1252.909753 2567.627779 2233.334766 2587.745961 711.4966832 671.7335833 4703.859449 59529.16608 1535.418653 5275.280454 739.4485513 4505.691243 217432.9093 225181.7741 2536.013162 6683.017672 6267.720369 4727.006728 6585.480848 8170.700636 5770.650855 6448.724326 7058.756389 7325.982245 112607.4096 2087.754992 29175.66194 1485.972023 109738.7887 59672.05182 1965.184499 55795.02552 1653.763262 1864.041315 3155.326004 3445.181274 5533.938983 7727.86822 7053.347573 6148.287899 7213.930779 11604.70616 3825.844517 7374.555403 3778.767343 8476.530876 2793.324753 19676.29987 3881.584523 437806.319 17990.88222 7alpha-Hydroxy-3,12-dioxo-5beta-cholan-24-oic Acid 10459.04756 11982.2808 15982.08732 10243.24093 10204.76992 16518.17631 8149.239236 15079.66146 13855.32304 89951.67871 2997.707185 51911.9553 102772.4234 44883.11709 55697.22236 4984.641316 2774.076714 174566.1566 4838.184747 6724.595448 5647.961862 12068.56655 11820.81194 13428.15841 8999.027863 779.7250814 26104.89932 2457.198241 111018.9135 25365.16605 49745.40774 12332.14966 9274.638233 96260.80215 707.4391233 48351.81848 5106.369554 3423.506543 4832.149404 9948.088639 6736.230163 12628.44877 10553.70365 1958.678963 35292.6181 14556.16606 10083.67939 3942.1747 10324.74588 8382.154158 89664.96493 7282.288719 13679.08531 9815.067969 Ascorbic acid 144155.7633 162421.1359 115176.1704 102348.5813 119608.0899 106740.8921 251197.5308 134708.6162 149755.1048 19442.03785 20487.0367 11598.00503 24930.03507 11953.13957 6584.180648 17682.56437 14780.64893 10411.10986 26959.02114 36711.34388 32706.12233 27611.80796 21533.49685 21896.28992 29091.69742 50433.48852 39150.04266 15160.03776 12303.18851 22193.92818 9591.251603 21923.81013 21314.20208 15181.90984 11529.70525 25175.90249 65367.3132 46285.05854 64743.42096 31392.0387 46194.38571 24900.20913 21599.98687 70799.82738 63468.98188 41488.17218 22476.85162 57931.34702 90044.53185 81537.49768 16087.37271 65684.14426 14724.44372 106706.4168 Asparaginyl-Serine 15636.88572 13390.68289 19355.26364 23688.29564 22500.83755 16531.13944 21046.70745 8569.054205 10765.19115 8610.908853 8608.326967 12450.89119 7779.539076 13656.85805 13752.0847 10280.32736 1605.289436 7764.196719 28823.05855 17346.16387 21167.60421 24335.45426 27099.29055 24119.33039 27338.34402 37355.01012 32754.05428 14972.8694 19393.76436 10683.121 16844.1956 17237.05222 12707.75368 16900.10277 7951.99542 12267.11396 32021.31855 23650.50412 24576.0666 24696.75358 20665.4471 26710.22865 24986.61092 37161.00878 35819.04616 16687.27033 16424.37292 18684.53118 17436.5311 19433.42682 15549.17145 21949.28966 18379.91755 24997.28994 Pyrogallol-2-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 88.85453109 20538.56377 4.07813e-08 4.07813e-08 64.90186766 94.25615187 5008.724443 15426.44603 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24012.44991 4.07813e-08 17519.84755 4.07813e-08 24025.27328 18146.88629 1172.8038 17762.15937 111.1257199 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 798.9786083 4.07813e-08 10109.67493 4.07813e-08 (3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxybenzoate 4.07813e-08 9.964700416 4.07813e-08 56.53778489 100.5938774 4.07813e-08 65.54941539 253.5518463 99.42303511 28972.3551 35487.06487 5300.392549 18188.91689 2616.858519 17291.21136 1955.481382 23856.85045 4309.086816 279.1124463 62.15105412 219.7423806 24.52928328 196.1022938 225.9596653 166.8020404 26.20695992 4.07813e-08 48482.61547 38142.39446 2431.83099 3964.792925 25871.90707 11980.89883 59628.82926 5510.54867 3416.072726 112.6306069 56.3572516 67.86706304 222.5283292 186.370092 95.04472729 79.1345893 34.82809969 180.6711786 47.76289069 4.07813e-08 41.86891424 4.07813e-08 377.1448161 64717.92021 400.3883395 43859.79851 136.9315982 N-Acetyl-5-methoxykynuramine 1113.301369 7409.005577 1334.758428 1513.421202 1881.208818 1615.509709 1448.650529 1817.653071 2570.503073 8530.672323 6702.439584 7960.651863 10829.96696 4817.671687 4746.753575 1511.079333 995.8102786 5827.926699 792.2513374 715.3212078 659.2316715 734.2378226 506.5505622 877.9449386 304.9751508 562.9931477 786.2351696 493.0705914 9902.088856 5953.584823 5138.410916 2282.491083 2187.66715 6238.609826 992.4558838 13289.33617 1934.285234 1043.701118 1228.048879 666.4928459 919.2099677 903.8837217 537.574599 1044.081288 674.5103789 223.3060462 770.8016993 1059.950661 1681.147456 4225.57793 9414.832629 1429.073296 3680.504566 1402.690804 (S)-[8]-Gingerol 32481.16416 25754.3008 27292.34203 32139.06032 33248.2897 23439.53437 28590.86453 32813.38263 29841.08005 9548.243761 8564.95224 7104.378748 10200.30456 6878.07079 7382.782702 3502.813459 4688.106663 11967.28617 65648.10212 54011.73481 60043.33375 61134.50788 53946.74695 53862.47156 53757.65938 62120.08778 51311.04905 8879.785344 10870.7792 8154.419628 6882.47573 11206.256 8730.243932 9668.36268 4090.039477 6091.408285 39405.14046 47254.97602 49576.83569 47817.57375 69467.17471 55841.62554 48574.87903 60744.75803 74357.18556 44828.25487 39728.3651 39706.95621 34995.69814 32943.45321 15414.46038 37912.60682 10347.22674 36216.03836 3-Hydroxy-5Z-octenyl acetate 9018.229123 9655.658624 9890.850879 9811.70239 12919.47302 7117.112305 10011.7159 6254.930829 6557.056562 2920.827428 3906.299351 3908.97885 3251.240152 3152.044521 3759.044043 3170.202208 2055.197457 2726.837053 9734.676471 10180.41815 10730.95302 8724.713368 11554.17814 8744.406979 10417.79651 9223.125983 6899.968772 2384.483933 2977.805716 3149.632445 2604.269155 4213.58802 3590.946015 2726.654942 2656.770639 3050.496952 7635.076972 7452.497356 7405.508739 8848.927885 8902.696712 12647.35731 7307.651207 9311.719074 7077.585649 5287.364254 5528.925323 7421.25842 7757.300022 8111.600837 3865.613527 7916.622798 3047.139888 7699.758936 21-Hydroxypregnenolone 8438.581529 5690.708959 5562.062178 4799.707905 5952.329687 6713.984235 6446.785513 4677.207765 10142.89261 1251.945154 1243.193157 4.07813e-08 2269.218973 118.268918 424.1745611 4.07813e-08 233.8369161 1090.587235 13797.23977 17651.10987 10816.06369 16868.16931 14935.87725 20458.45691 13453.14554 17956.4038 53931.29965 4.07813e-08 846.1989613 4.07813e-08 183.5074583 699.933346 263.0007576 624.0120001 4.07813e-08 4.07813e-08 7668.576183 14041.22131 8476.53942 12999.37967 18630.72806 12800.90567 18387.34798 15339.37361 77022.72891 20051.39895 8473.148714 10764.74617 7047.413189 4208.368821 1789.949036 10164.20272 685.3728015 7721.740557 Alpha-Lactose 244405.5663 250981.837 441372.5109 420042.0441 265349.2571 354091.0119 340742.0133 316237.2484 209719.3024 342274.757 302294.4297 293105.7362 285562.1653 256614.7389 193412.0384 217150.3921 73813.7529 132476.7582 174689.8623 117232.061 141279.0184 171156.4676 138545.4071 133782.5768 202552.909 113473.0849 164394.8008 197650.2714 240865.5563 225862.6754 213843.45 201917.0758 238405.6892 315699.0451 155896.2813 234484.3487 210346.0829 203578.3033 195063.7176 157573.2654 147778.4336 124170.9148 114527.2336 127120.8144 140447.8519 110258.7139 93833.92504 147184.5292 150209.4244 190790.6865 192633.1907 135526.6899 298439.2739 210521.4185 Butyl (S)-3-hydroxybutyrate glucoside 128.8532041 511.6189863 102.2153491 160.9912984 100.1199856 237.1277903 215.1378503 465.5353706 76.88658578 4540.578223 4711.451685 3498.057174 4780.106404 3464.451473 12494.52166 2999.508125 2432.301898 2192.097826 385.497342 337.9146989 243.0119785 51.94453094 370.5950444 314.3225478 272.9068657 169.330165 367.6942767 3814.907024 1956.01357 3463.869715 1608.512245 2805.776965 3303.791274 2656.565936 2759.815803 3626.788153 141.4326632 131.5514517 176.7241356 277.2766137 125.842955 185.5937446 227.7031342 489.5462466 265.0006982 388.8730227 270.4980853 182.5394458 107.6738741 73.35990225 1645.565085 166.4704494 2969.266998 264.4354936 5-octenoylglycine 415.4384271 4763.128635 735.4915011 2142.93864 1366.156806 499.6950253 1855.119027 1642.306801 1488.723698 15518.48525 15923.65106 22291.25088 16080.00456 16667.9717 11140.61851 13875.04232 11600.94103 14542.82436 1032.550185 525.7549159 1363.092881 332.8410688 474.3796145 311.0706125 1465.78691 1639.638076 854.0207283 14622.34395 16605.06762 19265.50829 12419.69204 18245.22885 16996.00659 17385.57313 11448.20307 16418.19219 7130.51105 720.6490761 675.0467042 843.1340468 906.1034331 1265.461298 1038.274594 1828.734699 1055.470293 370.1421181 1159.766581 996.7231247 2188.67219 3512.482126 17955.09359 1632.36359 14344.40661 1667.750192 (E)-10-Hydroxy-8-decenoic acid 7270.874474 4976.115598 5724.914247 5161.727467 8696.740638 6327.658678 6735.897568 4689.947966 4262.098662 503.0146851 181.2967357 129.6011312 303.1108614 330.4722073 669.3956588 331.0538811 4.07813e-08 351.4580437 8455.387063 8340.043777 7868.38403 8794.296488 7563.450671 7414.818171 7718.79882 9709.044002 9414.491976 87.79893293 4.07813e-08 198.7536367 508.5795838 213.6717855 164.0610604 4.07813e-08 381.2949339 229.1148017 5157.205372 6422.879286 6074.388105 6025.709348 8089.621607 8455.367413 6967.10628 9867.187464 11460.34914 6340.294661 5621.850236 6304.725029 5721.116795 4925.704305 120.3233026 5525.227563 175.1417652 6265.72379 5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid 14903.10918 13899.95149 15574.58382 14847.1803 15330.12098 16045.10014 17213.00435 12683.68706 13017.40136 7217.555452 6875.346536 6922.178537 6798.173826 9241.37237 6868.421047 8141.019556 6192.801115 8145.380996 16070.88243 18156.87395 16221.50434 17030.93593 23253.26884 19607.44926 17500.50296 17828.25782 18095.3984 5708.371049 7870.322873 7692.542098 9071.148355 6072.927736 7261.571941 7200.557207 7081.659904 8758.185281 13232.69988 17289.23579 15941.51277 15949.22264 16806.8432 19241.76694 18664.6875 17726.79881 20182.04016 20365.24525 13907.21442 16376.78989 15148.42612 14566.27289 6526.267632 15393.66085 7697.532854 17539.39559 6-keto PGE1 375431.1735 306947.4385 345558.6778 374784.1788 367580.7331 394012.4452 413896.9534 344533.6361 324510.2206 140817.2646 131384.4366 98254.91667 147920.8032 89254.35776 86172.06875 47551.31339 49804.58156 110506.2306 800036.607 807530.4122 638758.1292 733304.2871 879825.7392 810435.4313 694361.878 750882.0365 727398.6391 83844.59556 180629.8814 105039.9482 101503.7762 174491.5096 118329.2946 158918.1274 44832.56517 85592.00505 495161.97 731565.4868 594152.0214 634778.3778 826617.0552 794263.9631 773083.7516 699864.1147 1037252.87 585997.5396 492410.161 570508.3286 443741.8248 410470.6778 174596.1285 541448.6357 140596.1728 522951.3683 4-{hydroxy[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]methylidene}cyclohexa-2,5-dien-1-one 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.50712155 4.07813e-08 0.016395215 4466.265887 0.362107636 4.07813e-08 329.1861938 3383.810078 16070.38975 46975.21151 4.07813e-08 4.07813e-08 4.07813e-08 29.06381207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50361.18685 0.29140797 9083.648707 4.07813e-08 36211.46767 6960.062179 881.4634176 38269.73897 6937.715077 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5035.437017 4.07813e-08 13455.09725 4.07813e-08 6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide 23419.07332 18545.35922 19358.0499 13013.49304 14661.64746 17110.70433 15437.05989 14819.58041 15312.63994 1852.71101 2540.274457 3242.843208 2163.711659 1133.648486 2355.348644 2241.427332 1357.141813 1279.890399 25581.77919 23274.19806 19448.42143 22133.84992 26672.84314 21391.25442 22577.53149 27440.87638 26465.2241 2166.516473 2573.343036 4088.127236 992.6521883 1711.021552 2732.856168 2805.868008 2125.336328 1038.925242 14192.92654 20750.1875 17947.62754 19971.52518 23331.73137 25526.73094 19008.84852 23993.90472 35003.00597 18267.47025 19623.83674 14932.12925 14443.79473 12310.21733 3611.697103 13818.87074 8756.596462 18229.21744 Butyl butyryllactate 2483.22967 2497.435828 3488.273362 2160.520139 2465.634996 3212.291591 1946.376796 1796.411973 2212.965816 18816.58137 16982.25651 8056.326051 20331.72052 7722.812326 23215.36079 11188.54558 6987.15127 9687.393276 2294.554347 2653.380662 2341.594163 2547.648853 2271.099551 2331.377267 1917.885447 3420.429484 2292.153113 6993.416694 8961.850312 7725.265859 5184.604928 8581.954321 9953.154072 8611.240386 10480.74053 7762.336006 3783.603581 2371.860189 1982.802234 1954.480616 2084.744156 2311.271398 2175.085985 2331.689153 2570.413743 2794.279056 2035.4738 1830.653681 1665.566585 2303.302515 6783.495937 1554.635454 6885.11244 2237.792309 3,4,5-trihydroxy-6-{[1-hydroxy-2-(phenylmethylidene)heptan-3-yl]oxy}oxane-2-carboxylic acid 1365.154419 1426.690265 562.8454938 1347.232128 802.8498542 983.2268063 4.07813e-08 786.8218892 3421.410393 1753.626595 63907.65773 144.9251556 1017.699374 4.07813e-08 4.07813e-08 115438.8862 13192.3049 1013.189831 1100.249963 364.2997319 2271.246547 1124.467026 1405.305487 279.5342888 789.8003997 1949.744341 3496.025377 17226.94063 1854.062366 147210.0023 1292.341362 113625.9999 118346.4254 7936.417413 38526.141 6456.407397 922.2373452 566.5507643 886.4837591 1538.122467 577.6788978 578.804728 718.6296066 1375.961301 1916.297509 168.4211597 2737.411634 1268.541412 2089.902831 534.4642045 2605.893143 762.1682952 103846.2243 204.8360487 N-Acetyl-9-O-acetylneuraminic acid 9285.102166 74947.32865 8814.953394 13159.8556 8207.440978 7034.127721 7132.134886 14522.66031 10175.62528 3501.221469 255.0961234 1023.237102 2241.021317 3502.417897 2159.650011 2829.204324 7921.966244 885.1962284 5159.588766 7695.70128 46358.31353 30902.4687 58714.45334 8908.875781 66688.72133 8256.479241 12674.11563 4204.5263 2193.240738 4525.555079 2548.798395 4642.017999 4953.30084 3095.171389 4238.559055 5711.008604 137270.5886 28077.09581 103664.9252 44756.38575 35512.39888 76721.43898 5643.733141 14866.64237 44433.45523 28896.08485 1535.126319 3318.567313 61856.68592 41619.79726 6045.586829 15062.30635 2451.071987 19345.20527 (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate 124.1266301 1334.723837 89.21546146 322.731171 78.06305619 150.3040512 443.4077886 450.4604515 689.3166365 11084.34652 8366.939374 2654.427905 14319.19197 2865.550009 3794.14291 2337.840055 4700.735071 5984.542173 532.3313461 749.2289595 757.9411664 214.2757708 682.6389624 416.2249541 444.2190047 321.9854846 501.8286119 3060.547788 4505.984404 5841.413837 4958.90115 4739.404795 2283.760477 9458.147317 3539.25211 14131.57914 97.2125949 63.04113872 96.41276177 391.7800822 422.5116354 445.8755309 337.1079564 179.1843341 551.2638237 64.73849844 249.3974141 310.4911128 508.2559691 575.1788256 3845.929975 344.932814 6158.642847 428.4739566 1-Methyluric acid 39.86928556 1981.542681 4.07813e-08 4.07813e-08 4.07813e-08 38.29036568 74.47591061 35.84497632 45.41744187 9946.600311 11223.58342 13637.62512 12786.94136 14542.67256 7998.995464 7893.143548 13911.13045 14527.73603 4.07813e-08 25.81117807 55.97836828 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12480.63216 16035.56115 18393.48173 14382.42095 30859.90995 10598.8854 17568.05661 12661.33478 22264.97431 1536.175238 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 255.2921397 4.07813e-08 623.4375459 248.3417726 15664.44193 32.87855659 14429.14093 358.2218319 Nigellic acid 18870.65953 7399.224034 14357.53319 19979.11945 9419.833938 20864.53808 23526.69486 16013.6634 20744.59486 5079.552464 586.1378308 468.5557584 3853.360999 2221.090097 375.3079671 9341.760167 4.07813e-08 1121.96172 10987.30579 14372.26902 15689.85826 70290.32782 30720.9994 36925.74944 8613.047841 30069.65359 11192.69066 4.07813e-08 615.9397068 1634.418457 731.7434069 2149.068995 1236.255045 1188.747448 4.07813e-08 684.3689885 76954.82791 31862.92678 21761.16401 16044.96429 71876.07504 11046.19645 40131.26642 24292.46301 21147.33626 9206.088898 13097.27572 19860.0188 11829.80493 10650.19579 11697.13914 9439.541579 5684.471488 24014.37098 (E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside 655.1038542 928.2363375 197.318767 1193.293004 885.1294018 799.4648977 3251.790932 1686.536193 1539.715551 47551.00257 86640.0384 131209.3951 11373.37411 128856.8895 74590.45281 71454.42055 41753.50353 3487.875387 1006.959824 838.1001325 820.3980574 736.8711148 1316.164633 1576.764509 1637.603773 1467.957657 1113.201961 84503.89037 55246.09065 50491.12566 7545.725996 34533.07523 31772.91228 86990.03188 68682.42978 92097.06983 5885.668006 490.2521026 330.1134582 1091.100467 1009.201053 470.3224045 842.1795204 1370.412492 1090.056748 881.3845821 757.7413954 1591.87753 929.0041321 1336.371896 91849.78996 1631.387256 88680.65022 7086.651594 3-Hydroxylidocaine 3751.538992 2246.451178 5334.894469 5050.25948 8091.691737 6248.822871 7257.352274 5374.279651 4091.499303 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6524.677908 10734.3646 2150.827714 6188.794176 14286.9845 16988.08373 10972.77099 8281.060675 12808.28321 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4481.574993 5702.709794 2057.172992 5732.513819 9132.059588 11040.5196 15746.29413 8276.60278 11272.84317 10948.3067 8069.032626 5584.45829 3144.577171 2383.950289 4.07813e-08 4311.741613 4.07813e-08 11678.17308 3-hydroxy-dodecanedioic acid 79735.19208 53789.65611 77295.7565 88047.41887 100743.0518 90570.7715 74258.01086 74838.16396 63562.05411 13885.75266 11658.85093 10352.03596 15583.78316 8440.252481 28569.57554 8330.191165 4482.677224 10580.87314 119672.0264 118678.3538 99127.92432 111048.1055 139433.5461 136394.7642 98174.63887 120815.2067 127962.6163 10785.86339 10334.97413 7150.56621 7875.440025 9190.279903 11537.3514 8438.28992 7134.017885 10454.01717 81072.08941 98279.72751 84803.73515 103073.696 115088.3748 120738.2689 139185.1715 121787.4187 142373.6905 103225.8742 73380.58593 93454.9824 67939.13091 67630.93802 9724.798792 81398.4218 8266.891542 103694.8596 Testosterone sulfate 48465.96682 42991.63018 49218.75578 51485.1104 49444.64777 49987.05532 56786.11868 46894.72949 50273.97042 21931.20314 16099.69017 19453.53365 21507.30826 19454.28735 15543.97475 8276.147007 13491.27146 19132.43026 155518.4174 146225.622 129961.6573 143325.3764 165368.5289 131495.974 140400.8502 73497.22783 94533.29973 29384.59931 35348.67435 23271.83431 34276.3106 38264.80111 24465.3696 31229.71452 10784.78664 20390.90309 95776.06493 133387.9978 107690.5052 119409.1101 157939.3125 157584.3042 122622.3875 66180.74132 151024.5768 109472.696 86377.01954 109436.5096 90459.35053 75305.35848 40419.28714 108628.0623 25777.0773 81525.81394 Bisnorcholic acid 2340.663416 1734.099373 5016.478475 4671.206455 9388.643162 4521.02555 2883.697082 2075.864149 5131.91433 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5470.992101 6215.128627 3100.520652 7178.751832 4737.629562 7761.433568 5591.326813 35747.68014 48481.3475 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 126.8689049 4.07813e-08 4.07813e-08 4.07813e-08 2557.424727 4187.542737 2362.026597 6325.560031 8783.502868 4184.03739 8124.129693 25424.89534 35747.12716 3430.123829 4730.909847 4277.5462 4124.748478 1806.106271 227.6915294 4559.20529 4.07813e-08 2192.643323 D-Glucaro-1,4-lactone 297.7243139 167.6584545 89.09004997 354.8023911 361.9858988 205.1473698 203.9123875 202.5673482 71.27581475 13528.83566 9415.601601 11042.47694 14936.77043 5909.232715 9638.967637 5773.143735 5035.967986 10301.65632 145.7427428 96.87521441 700.9554383 106.4119849 110.8957084 29.93955923 124.1509383 95.72108059 187.4609473 18359.44952 10521.23211 8517.27941 10394.77457 11490.90215 14872.52787 24207.72056 35715.58079 28143.81214 311.310542 26.52621063 221.3527482 131.063998 310.1746443 420.0704808 31.03035921 507.3662327 4.07813e-08 4.07813e-08 38.63755941 153.6921921 460.2129405 1034.111889 15412.5578 84.50748093 13280.17387 365.5055378 gamma-Glutamylaspartic acid 855.9111054 1958.044874 397.6055782 1164.319688 825.8591312 431.3691156 800.5166043 650.395893 1453.126277 14547.55831 12655.09681 12161.06418 16435.45794 11193.6901 12039.4575 8251.535376 9637.681834 15431.83456 48.01100416 4.07813e-08 96.04413162 24.36565059 20.14162377 4.07813e-08 240.6289238 6.020191698 18.797865 16684.73758 19726.19925 10969.38168 13348.09548 17948.63994 11169.04709 16545.67286 7713.721941 16617.04114 372.1562402 4.07813e-08 316.3343984 60.37761495 29.28660771 67.29163177 53.63935985 25.97679992 0.115422592 45.03552758 604.2356122 13.25332051 884.5386539 2097.859584 19946.98967 30.94819761 16317.17998 553.0403739 2-[3-(sulfooxy)phenyl]acetic acid 1826.758911 6332.931536 1069.070068 986.5026693 2167.448315 4419.402469 2958.285361 4666.302877 4183.951171 973.3743075 1372.522424 4.07813e-08 1496.306751 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 530.0546133 1015.680748 428.8783447 4.07813e-08 4.07813e-08 258.3331714 232.2219756 4.07813e-08 117.7182147 4.07813e-08 4.07813e-08 4.07813e-08 39.94907842 4.07813e-08 4.07813e-08 695.2284171 4.07813e-08 599.7248315 162.7020861 574.4296197 242.572056 272.137664 192.1129695 27.16817575 26.17226321 75.2024124 4.07813e-08 638.8233819 10648.70693 3918.196627 4645.819301 6069.079088 568.65483 6741.848626 1214.900994 10098.71148 Cinncassiol A 4.07813e-08 4.07813e-08 10.63104552 4.07813e-08 0.225942216 4.07813e-08 662.5839693 297.0027475 863.3854153 2859.744621 49440.55701 2832.85132 2158.948235 6644.281185 2606.925145 109829.3525 6474.990054 10828.39051 284.0389575 633.1454271 308.5878514 351.3053076 692.8270085 777.2294364 429.677188 631.3950734 220.6415391 59506.13411 471.6628496 71640.30615 4131.489851 133200.8565 117723.1543 1489.061461 32811.61021 4124.685773 424.8819213 288.2441959 128.8158743 398.3061327 678.6604618 640.1051888 315.0099831 300.8427782 1161.421561 12.01485383 4.07813e-08 4.07813e-08 4.07813e-08 9.730189848 19393.24273 242.2096318 53408.4823 78.34742015 (10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one 5147.079218 3367.111626 5988.077552 6999.538096 8977.277865 6526.84586 5084.750242 14663.36896 10144.19442 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53.53447912 4.07813e-08 4.07813e-08 4.07813e-08 10155.62808 11832.78813 30672.53941 22455.25153 7466.222741 9889.632989 9070.301638 5401.073096 6829.197993 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6959.61981 8496.772333 5054.695083 10595.59548 10726.91323 8202.846121 8918.362431 5349.083043 5533.021821 5799.4567 4226.073015 5924.33957 4806.63957 3314.474024 4.07813e-08 5287.511207 4.07813e-08 6602.939453 D-1,5-Anhydrofructose 95310.08701 104936.5595 93549.30175 114819.8672 118443.8405 108975.1657 153284.1819 146806.4308 107622.243 54761.37723 46576.26112 54485.55945 52824.40946 50586.2841 37985.6386 38118.56204 22468.96476 60659.09353 39247.08558 31928.14347 60482.33018 42924.38955 55271.98002 38460.57274 49846.66687 45627.49402 52003.94238 47071.23349 51489.55036 54051.28643 43141.07227 47627.70827 56850.66716 51245.70574 33504.81629 55269.20067 58412.92954 61114.8825 61636.67506 68408.00181 43390.21473 51156.09245 37086.4467 46412.93767 45228.03445 43960.51671 36819.3723 54758.86438 74810.84812 90812.71818 56623.16658 61979.91191 47378.49913 91034.02325 5-O-beta-D-Xylopyranosyl-L-arabinose 23472.19557 28682.70377 35955.05671 42878.69978 33673.14511 30278.07427 34451.91036 23952.38838 22974.86279 85972.37663 80619.01608 83580.41873 86062.74708 89933.96729 49945.07305 63261.01119 26174.06649 70090.03921 25070.83752 18965.92059 21753.04045 23196.56303 29320.15444 25751.23367 28134.88437 26939.62714 31230.36215 53022.3434 65233.99871 75938.11843 47481.10824 57831.44325 79648.53857 59917.14452 53419.70643 87902.21296 28529.0416 23712.82708 19691.98567 30803.79665 22123.04635 27007.50178 21836.93302 26512.63647 28616.42972 23860.31079 22006.82687 18302.2616 24265.00339 25046.78797 64609.9352 21351.48 64109.07799 37687.08456 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one 7183.047455 8240.052867 9312.073242 14402.76951 12018.26516 6772.15223 7682.860675 4697.473635 6130.078926 5527.020242 7699.152295 12868.48858 5679.33314 8613.122923 6266.412177 6280.516333 2336.819325 8149.502112 11108.43749 8962.69752 10644.58695 9058.85003 7613.752994 6953.61068 7514.998103 8509.593006 6963.660096 10214.55287 7158.583012 8126.398901 6205.122984 8945.692652 10940.3927 12596.54769 5334.153519 7246.038295 8050.474884 8018.617205 6145.007246 7688.82845 7483.125998 10655.01557 6952.475233 10564.70376 9086.981248 4418.488568 4649.898252 3902.449981 6809.744562 8130.837493 10877.59521 6019.215466 9011.445306 5352.795291 2-Hydroxyacetaminophen sulfate 55.41290929 3516.004487 4.07813e-08 4.07813e-08 357.9711624 240.6645693 628.622221 405.3482999 1546.764356 36.4992019 240.2784389 126.3497187 192.8707184 226.1276218 297.4186016 4.07813e-08 34.7081745 250.178441 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 886.8468721 1215.913487 476.5114606 667.5110084 1334.676926 744.837319 1144.675538 367.3631322 398.9835781 4.07813e-08 4.07813e-08 29.19471622 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4792.887702 713.8423537 2597.30085 8909.48769 98905.16448 956.1669507 23722.60608 2266.752261 Blepharin 4.07813e-08 76.54670695 4.07813e-08 15.26143815 4.07813e-08 4.07813e-08 4.07813e-08 23.93989718 4.07813e-08 26196.9844 25655.77673 20473.65451 25793.6562 19012.13041 21823.8837 11272.51899 11711.05614 19485.50668 28.64421048 4.07813e-08 82.35056598 4.07813e-08 20.11210157 65.11667124 62.96364835 96.53559074 58.54676286 20894.14752 18711.82848 15095.4612 17128.94301 21199.60255 17369.97259 23502.78847 13362.13988 14973.06592 89.26016561 4.07813e-08 42.4816779 4.07813e-08 4.07813e-08 67.72378084 73.50802505 56.63471802 4.07813e-08 4.07813e-08 4.07813e-08 27.94824471 4.07813e-08 4.07813e-08 24971.22403 4.07813e-08 19809.16196 4.07813e-08 L-gamma-Glutamyl-beta-phenyl-beta-L-alanine 9238.80729 11178.64013 7047.712227 6163.325389 5081.145656 8215.854395 9857.979134 14059.13679 8976.191043 9491.359375 7410.629544 5401.656452 9382.626831 4371.193912 6157.854862 2910.595744 5171.687688 10366.29694 5258.527793 6559.474724 4802.147377 4284.344219 5680.172663 5770.612611 4407.794133 3766.228056 6589.854629 6135.986833 7019.683007 4158.148044 5980.999811 7798.693588 5546.974392 8415.351841 2952.23223 4283.744285 3942.442969 5180.394603 4539.221615 4620.443229 4747.089025 5787.932265 4492.945282 4646.917323 4937.570247 5830.128951 3839.139223 4943.577694 5010.678684 7252.081635 8452.521774 4849.00652 6457.483528 5772.533634 Epinepetalactone 3972.186892 2764.596116 3968.719827 4859.725328 5020.214173 4352.276627 4287.587777 4286.936812 3471.466426 1373.56092 1368.672843 1837.844128 1227.111527 1413.801669 1197.607256 787.4134093 349.5685899 1719.251888 6462.810596 5262.934898 5113.502032 4543.162385 5940.552326 5727.282963 5293.43209 5126.56336 5252.157565 903.547303 1179.098035 1352.893513 1145.548721 1152.214964 1536.584221 1539.737306 583.576149 1345.841231 4417.490901 4303.851244 4486.128822 4912.283161 5850.902335 5988.644574 5873.834617 5129.228568 7982.168327 6209.434186 4675.829306 4035.662434 4065.233792 3498.475858 1728.472831 4385.780165 1296.481105 5049.130101 1-(4-hydroxyphenyl)pentan-3-one 9275.49058 6775.232896 12652.68799 13411.80676 13701.7302 21484.48347 16355.18328 14447.97618 10749.82085 3574.591365 559.6806297 6606.892035 3181.709202 7291.710772 7506.027831 1434.125644 4.07813e-08 9292.158674 13465.29015 13344.04935 15853.24933 15824.7869 15168.11364 17484.76569 12601.10735 10846.94005 19317.97962 4.07813e-08 5186.435072 6144.726177 4739.831893 1036.948923 473.4333818 3348.318381 4.07813e-08 23236.88947 11915.11938 13729.18765 15717.47526 12479.27144 16003.32634 14809.44512 16777.0427 11061.05841 10178.36978 15113.26966 10929.01007 18775.89583 13454.99589 9668.513967 9884.695545 12471.55678 1315.045571 12886.18626 (9R,12R,15R)-d10-13-PhytoF[13R,16R] 482911.3048 410222.168 389884.763 316944.4321 368477.5361 406298.8497 409944.1302 367951.0983 352364.0157 267126.86 237131.8899 137095.1657 278520.4619 134841.0533 242575.0154 96152.32904 112411.56 157227.1133 589473.4365 538192.6229 528106.4511 507341.2943 532626.5127 588119.3077 490280.3531 660042.8641 526728.4447 113145.0066 187802.574 127247.7912 125668.749 199430.0476 162702.3286 177604.3635 80947.69436 106094.3955 403196.9809 532282.4416 470845.6169 505808.7535 514860.7014 527137.7245 549575.9835 624275.586 755632.0985 370055.7136 315497.3034 370528.7033 361030.4153 340712.9922 183419.0271 389885.5381 153234.3107 417649.0447 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid 7219.623976 18870.08227 6732.139289 11502.79969 17480.4841 8286.588568 20305.90925 18538.53154 14351.27263 111646.6749 105790.2909 109624.0963 116743.3419 90736.43258 80126.20489 71216.25535 31396.40304 91254.44417 10509.16778 8006.967317 9919.636825 7341.153847 12684.13247 7971.380323 14619.86841 9414.524851 11661.08907 105399.8585 102920.7432 70654.09525 95066.61227 72010.51727 71632.70049 111092.2962 54141.73205 100876.8166 11061.48525 9849.448588 12422.91369 11007.73819 9673.039924 15557.85501 8283.487314 12551.06497 8419.76115 9241.994856 9376.450191 9746.115955 13947.09056 32577.83674 139208.5792 15765.7814 118476.7751 21479.64245 Glutaminylvaline 19734.80759 22682.04654 11181.16787 18480.73373 7842.883485 12498.27011 23728.49499 22169.44084 21736.64837 3536.643456 4099.977517 4043.70291 3534.951282 1923.016022 6044.610663 4270.419318 2868.830831 3393.55323 4172.502631 7284.614311 6509.489003 3888.857748 5649.952065 4252.292062 6232.32675 6560.197893 5717.046437 3233.785265 2702.333315 1114.831492 3309.460999 1710.527121 2100.015077 4479.215944 4044.881034 2626.559238 8127.745495 8743.113025 9437.249799 7111.598161 5524.637021 5302.942786 3642.299851 5380.786424 5439.094255 4068.527826 11155.98122 7878.292536 12277.43174 20310.76913 1978.215318 6722.638694 3417.28216 6355.07023 Daidzein 6''-O-acetate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 141.9783475 4.07813e-08 4.07813e-08 4.07813e-08 11055.98052 6642.781137 18219.43852 9968.161083 8067.471369 17050.1394 8343.39549 13285.75185 14683.78925 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44308.09657 28785.11835 3169.588337 35637.80007 38716.51235 12222.29875 43770.05562 15274.10567 17167.39851 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154.9383899 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49409.32501 4.07813e-08 31095.88633 4.07813e-08 3,4,5-trihydroxy-6-{[(1E)-1-(4-methoxyphenyl)pent-1-en-3-yl]oxy}oxane-2-carboxylic acid 4.07813e-08 1419.774373 4.07813e-08 171.4134435 4.07813e-08 160.5196728 170.1084925 4.07813e-08 4.07813e-08 1029.138747 14722.95507 539.5509244 621.0739906 490.8495564 2010.348783 15582.23247 31972.98452 209.9740922 507.9650783 505.4559923 450.6224913 348.326177 266.6418547 447.3500781 830.4627819 1635.775228 904.9029696 16005.37822 937.50573 72728.27423 847.2255953 29483.42613 22237.4884 245.3845893 28166.46432 4483.608899 4.07813e-08 343.005349 884.1014475 873.2584719 727.4520852 506.6837614 360.2312636 1823.700573 2143.595172 931.0003257 464.9739633 634.3424721 718.6135055 403.825269 2180.274285 630.5868757 10239.64421 383.1926903 9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid 664882.7575 391834.5384 322683.239 375823.0952 610780.311 187340.9006 174381.1594 334924.4617 169615.4578 293881.7232 261781.8323 263694.0836 273325.5512 407092.0047 56817.18393 194196.2131 112072.7392 109361.7436 616907.05 260963.7198 271150.8235 382476.5319 831860.7976 547651.6338 261888.2232 449330.6019 192687.1783 63362.20388 199585.8552 226890.477 68651.14192 222170.5115 72981.07654 92573.19043 107353.5579 120142.7383 348835.0958 433277.8293 284706.4938 257155.2816 442318.9218 615226.658 575536.9431 421638.374 1184142.306 122477.4026 198708.9664 151322.6866 206949.5935 168935.5696 51507.31283 384237.8351 168101.9868 435466.1785 (10R,13R,16R)-d14-9-PhytoF[9S,12S] 22107.62789 13528.94256 13511.08423 29281.15954 24862.13845 15178.92395 14450.77857 10241.90882 11089.96215 4640.405548 5749.495008 6029.890972 4653.042692 7731.514424 3334.002161 3831.662538 1018.849512 1390.259233 34092.15482 35178.23147 23255.52064 30221.29718 44221.46991 34157.23832 25469.00076 27003.22068 32151.0301 2170.778373 5044.132682 6031.9484 4521.977093 7173.068348 6594.143595 4100.742317 2403.64117 4397.538727 19116.45061 29045.55614 20718.67735 26872.02125 34840.96867 35737.79342 30865.3276 23570.96202 124706.6808 26011.21641 21032.71208 25461.12098 16028.2585 12828.26648 7570.722252 21575.47645 3628.014226 25122.00147 2-(Ethylamino)-4,5-dihydroxybenzamide 2349.151341 4668.357497 1590.559975 1633.034752 1125.099834 2040.411082 3251.971511 3217.101283 2651.059668 12804.28601 8853.952772 9090.806543 13824.29609 5685.748393 6847.881416 3757.886309 3189.244538 12763.62968 1934.634173 4146.344693 2070.759966 2669.750334 2499.300594 3810.112334 3331.248186 5728.240495 3116.652714 8167.229156 9001.386087 6734.837524 6789.464343 11494.34212 7612.665145 11231.63434 3832.113061 5928.422143 8134.954578 2732.029239 1969.5502 2055.325033 2527.086616 2300.32207 3520.915756 4037.508166 3552.142278 2459.538533 1848.768749 2414.410506 2360.803432 5006.930082 11198.46099 2110.763316 9086.529965 2454.08424 N2-Succinyl-L-ornithine 17401.59093 20647.35332 21861.61057 28550.77154 27880.34145 21241.8982 12666.51477 18016.21869 17578.09463 8811.804324 8642.212247 10174.20166 9152.516105 10019.08933 5253.209249 5849.288492 6197.054399 7797.676517 36390.29363 31142.16384 32560.17726 35645.71964 36728.80854 15356.08688 28759.79494 41906.9442 20390.15994 7472.625488 9799.398205 10419.91271 7423.890974 13302.12769 9888.657888 10623.17763 5317.905431 8876.037072 25897.15751 34487.01448 30397.00462 36853.09741 37657.6536 36953.64615 16909.19149 38967.39666 55498.1555 25046.92266 21524.90163 25052.1431 26077.50528 21030.35259 11208.59938 24455.83698 9267.472418 12142.16031 (20S)-1alpha,20,25-trihydroxy-24-norvitamin D3/(20S)-1alpha,20,25-trihydroxy-24-norcholecalciferol 4.07813e-08 1093.755841 2234.843402 5802.099556 2944.846858 6159.037067 5344.051645 1090.506581 2026.134409 1302.777404 1927.130493 10737.80949 4.07813e-08 16031.63444 15166.4823 11341.95666 105432.5264 8012.125929 3371.670686 4413.142862 3226.100494 9879.053497 5150.787178 10154.80788 6224.31373 1036.177764 1307.539111 1695.514078 402.5973694 231.2002898 8017.585936 1036.427718 2166.849607 372.1109569 16173.38711 4.07813e-08 2618.154991 807.7139154 779.0019982 6588.208201 12797.76667 2887.723407 7200.094385 1318.428807 2587.808366 2413.580996 3043.136177 3996.926393 6774.399561 679.4289414 1909.713278 1253.057759 245.3400896 913.8593929 [(5-oxo-1,7-diphenylheptan-2-yl)oxy]sulfonic acid 19894.98348 12063.68554 13299.87507 9602.795545 10305.93762 19076.19921 13305.15522 21094.70681 28513.90163 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42554.24579 38322.30991 17626.65677 13572.77976 31213.6778 48775.31659 20306.78576 33686.9736 38417.51193 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7875.096829 30060.6692 19366.92511 24061.56276 22133.59738 19776.85228 51019.81994 34166.24375 44208.95735 30968.76212 15722.02746 18499.86324 8321.736764 5455.039094 4.07813e-08 15269.04551 4.07813e-08 24781.4366 Phenylalanyl-Tryptophan 723.7064406 1045.720736 121.1561684 1213.771249 416.1462245 204.9079743 862.3832562 1185.55054 448.445687 5299.899115 4138.864673 3885.779079 4193.383998 1486.212821 13367.86811 6442.539692 8305.075277 3209.653147 488.4376606 1394.561158 2250.89025 512.1063198 1035.141447 724.6143247 720.7029457 663.0936017 441.7627193 4121.71358 7616.539179 1381.777782 5537.878195 1888.873843 3251.582262 3380.47991 8659.206294 1867.87163 705.5895158 382.0545721 802.9753674 1337.393361 551.1968735 1541.469923 442.7306439 484.2988055 562.3625765 351.5143421 197.1616091 705.5944682 238.9179159 1090.368676 1186.050338 303.2935059 1130.325401 488.499311 N-palmitoyl tyrosine 9363.971385 16325.59469 6312.893212 2743.529596 403.3554212 8879.211071 5629.127531 25910.2204 31467.7497 63529.39996 262537.5387 591975.099 52043.8427 1172737.587 884845.2561 1263182.407 927592.0668 223179.9611 2913.616597 6073.28335 6119.391224 8920.427911 603.4330912 874.6099504 1332.394813 212.238412 502.4494481 948628.3916 483701.3988 93410.11906 319496.9165 288585.2076 129920.815 452379.5256 1232866.413 183523.7604 12604.9303 2102.198699 5932.790349 3713.280358 2470.154754 856.9484265 626.938989 823.5335778 471.0570702 20062.17036 60565.94757 27017.7912 35855.02643 17052.73244 289330.2798 27520.26094 63707.14655 12989.3783 sn-glycero-3-Phosphoethanolamine 3194.564526 3294.525603 1047.265501 1829.791074 6429.618054 1318.23938 884.2349925 1366.059048 1094.180396 4203.4574 3967.046613 4707.288521 4092.353613 1407.675743 1605.607435 4124.823865 222.7875779 3059.472019 26859.08325 21281.14735 6594.199261 8651.548106 18484.79574 28241.918 23151.29759 13015.85246 26625.33069 1779.719344 3923.322161 3550.36799 8472.28386 3234.662186 4555.510679 1993.310089 12005.58064 3507.900873 13543.63367 8867.169617 5038.657955 6866.504301 11011.4533 27801.01185 25065.94408 12087.20792 7839.626034 8216.708869 5639.070725 3129.659089 2056.216299 1498.360505 2772.518902 1491.050152 7906.876165 11412.88774 Galactonic acid 120075.8553 304706.4085 152846.6757 213493.4127 425389.0369 147043.1526 257049.2694 255419.6289 191968.6284 1443507.369 2433612.144 2379005.756 1188181.285 1953996.746 1748952.914 2205620.833 730125.8368 1062705.977 50065.50636 51110.36232 63556.74421 55815.82649 69838.10895 40072.38445 70069.96117 41621.97673 111016.0303 2640132.63 2181592.84 2026882.516 635647.0798 2534687.747 2491024.623 3379192.17 1891118.961 2774761.855 97239.04536 80060.13357 83927.25001 66096.42087 67798.48833 89492.3922 44560.89272 49721.99714 53953.34659 59341.42744 60334.73266 76483.96063 183101.9701 354483.5686 2125540.986 113296.6811 3247445.448 233187.2075 (22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid 10385.17796 22011.04948 12372.38997 2477.345446 5556.479834 44122.16747 13591.42479 12369.63331 23155.27367 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 623.9305081 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 700.8998379 4.07813e-08 391.8874201 4.07813e-08 193.704113 145.6233662 4.07813e-08 1121.172655 4.07813e-08 207.5233361 4.07813e-08 199.5883063 189.1513364 4.07813e-08 4.07813e-08 173.3325971 4.07813e-08 4.07813e-08 1909.605459 1322.8309 73725.86659 48254.62751 22436.4033 16263.57314 4.07813e-08 41891.00379 4.07813e-08 37710.00971 (5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)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 4901.005038 5589.482627 205.522741 159.3285046 4.07813e-08 7390.499494 13895.83174 957.353034 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7221.366299 4111.225365 4088.792466 1156.606287 9091.12318 343375.2796 4.07813e-08 5674.560098 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1528.377347 4.07813e-08 4322.315625 4.07813e-08 3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoic acid 185.7129425 106.1444022 144.2763797 115.1513399 202.8388343 94.95315491 123.2113326 531.7767258 290.6812406 11853.61009 7721.080544 890.655686 13361.85979 98.95857378 14011.08026 152.6391898 7762.585769 13521.84253 124.6898156 94.83721708 140.0452893 18.50411386 208.0926587 172.0709161 58.18391231 19.475695 56.54974661 25124.00545 15116.56652 68.83279711 9903.668512 13426.28638 8135.051075 35666.63311 1323.4968 513.6679208 498.3520417 173.9428032 116.686937 103.7917333 127.1667985 4.07813e-08 320.2665968 37.11524339 109.6022854 138.1844377 42.59499372 109.6323475 24.74018991 1374.434038 29896.26172 207.3254192 12543.01695 145.0913304 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid 18975.12806 15620.5828 20986.6871 27044.86093 34465.85528 20754.03107 14614.30405 24819.61742 24237.60457 4057.611065 5628.229533 1268.441633 2413.021461 1182.554501 1685.897064 573.4309348 710.4028271 3993.765118 43414.64291 110866.1657 54054.35546 86596.23918 100543.5944 60780.03568 38569.62026 55586.30376 64196.53467 776.8372531 2380.652606 2135.942762 991.1976728 1888.261195 1115.309407 1552.006372 71.1085859 1362.055921 29727.04143 92656.17443 49983.78382 90596.90099 100508.7334 75167.1615 63140.04594 48940.00809 77063.61176 68457.60738 47416.30044 63431.47601 31682.92765 34387.6118 4423.180564 32373.58334 1044.095641 26016.30793 Pandamarilactam 3x 3286.974922 7055.850505 2436.968154 3073.777289 1311.830711 3522.697968 4943.495913 13599.68608 13675.59498 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 719.4788835 591.5493485 42604.38064 3579.927305 37707.72002 3416.796865 6569.247569 1539.844429 1364.052174 4.07813e-08 4.07813e-08 4.07813e-08 110.1184327 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8121.145056 2064.242965 3308.200592 4064.07078 2516.757612 3796.975732 10726.604 1696.967616 933.2500702 7903.783744 3084.074334 12268.25425 9468.715278 30374.75368 4.07813e-08 15169.0578 4.07813e-08 6580.732355 (7Z,10Z,13Z,16Z)-docosatetraenoylcarnitine 4.07813e-08 358.8744402 4.07813e-08 3.721729116 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 379.9832341 1423.304651 4.07813e-08 26272.40709 1923.651328 19154.44635 81266.414 17504.78067 126445.2786 94789.12022 4.07813e-08 4.07813e-08 4.07813e-08 12.1314655 4.07813e-08 12.61963893 4.07813e-08 4.07813e-08 4.07813e-08 26492.41356 5729.841789 4.07813e-08 32039.63812 950.6269965 1859.472644 10083.93109 25057.40422 1735.600226 4.07813e-08 4.07813e-08 4.07813e-08 7.332306261 19.3881268 4.07813e-08 21.73043036 4.07813e-08 4.07813e-08 4.07813e-08 818.0389447 4.07813e-08 3294.27263 1626.888792 8387.282852 608.644702 6846.244794 4.07813e-08 ent-9-L1-PhytoP 3839.02363 3135.979685 2933.427988 2047.878559 2585.909552 4237.241368 3732.29972 6191.414636 8096.988528 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9639.90788 7001.863728 5493.922928 3001.842472 13633.45346 11451.45804 3328.892621 8222.557942 10634.22314 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1317.844286 7374.215608 4155.1345010000005 8664.101475 7171.847266 7197.115696 16849.35054 6694.285058 12823.61045 7043.347755 2840.592323 4145.648934 2472.918564 1162.849542 4.07813e-08 4135.121448 4.07813e-08 7587.136783 (2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid 4.07813e-08 897.7601676 4.07813e-08 123.8133136 4.07813e-08 101.0110607 375.2637595 904.9015585 155.0812118 42176.86979 52243.88371 12822.22887 59692.26869 14114.30429 9680.148906 4264.046716 13006.64217 32344.53831 80.2631825 135.7482757 97.57587169 72.60750775 4.07813e-08 89.58461907 143.3622913 84.37199255 233.8725555 14967.71318 27359.25819 24794.15115 29564.7852 38332.96963 20775.18999 54059.87921 32645.85141 76240.13427 149.6803447 55.60520875 0.497356401 1.06085053 4.07813e-08 4.07813e-08 129.805425 231.0262626 248.2809537 77.0696749 148.042007 263.9388925 4.07813e-08 727.6976677 31952.73286 152.3602867 23923.4535 962.3417715 Niazirinin 200.7802202 718.6015223 4.07813e-08 1190.852369 278.4279601 438.4201735 2079.239042 1473.170273 370.5956208 25755.50811 51693.75931 100579.1846 10702.39879 92123.08088 46111.45212 55732.46747 30228.08164 939.9146623 313.4493249 898.6857335 143.2851465 234.2739717 680.6408283 517.1484276 796.3059783 358.6680738 970.641271 44780.60767 51975.10411 75855.79275 26245.39731 30597.04162 64843.15328 59136.05265 42674.77688 53833.68213 259.2022971 137.1997458 491.5223092 101.1066562 102.7338032 576.002632 395.8541691 707.7138958 1408.088335 318.9923532 238.1089162 319.6401422 727.9173517 859.3667726 44003.56974 731.9068456 51793.66961 3858.798241 3,4,5-trihydroxy-6-{[4-oxo-1-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}oxane-2-carboxylic acid 4.07813e-08 206.4719411 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 64987.45637 64565.87842 59891.92695 61527.33638 53164.74647 54933.81563 40305.37195 37003.78993 57653.71403 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59568.86419 51901.29489 61547.27827 45328.06592 70733.36234 61303.82533 54761.21351 32021.09324 59372.72582 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 58992.74046 4.07813e-08 60705.13145 4.07813e-08 {4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenyl}oxidanesulfonic acid 4.07813e-08 712.6253873 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 173.4570113 14854.36047 1033.250729 20543.65648 17576.5702 42522.26505 21203.32165 13536.34692 402.9887108 49517.81221 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 562.2888664 10896.76034 2336.400499 6075.02494 1691.18239 3244.630452 10034.50308 193.567667 17790.39874 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 297.3332917 4.07813e-08 11911.2062 4.07813e-08 2178.47312 4.07813e-08 {[3-(2-hydroxyphenyl)prop-2-en-1-yl]oxy}sulfonic acid 21670.36338 61948.61908 28140.5275 47640.1387 14809.68168 23427.94396 50973.28466 48493.35527 22463.71269 13601.9719 9429.492716 18580.80577 14461.86069 14055.24076 4374.505343 5934.722317 3983.128069 12616.15345 2086.89821 2567.259318 3181.296415 2790.8118 917.7708664 407.7055434 4955.975869 279.1736032 1135.673977 5216.716128 12024.58829 13469.30842 8823.510106 12386.7948 8212.152836 10526.30845 4076.013913 10723.58853 50524.04296 4797.964238 4073.232442 1817.693391 2494.979017 2121.659704 382.8071651 1131.184692 5680.167296 3201.631677 3409.788732 8789.164734 17764.48867 19740.6791 11497.72142 17954.54244 7762.393293 15224.22042 Gemfibrozil 33537.0344 19917.80873 31602.08673 22426.99437 8933.106078 131048.9124 117323.3023 24726.42623 31858.20772 34420.28294 16674.22182 1810.378249 18325.86585 7258.487672 6977.260263 107845.2044 2059.330469 7415.68458 64271.72231 97605.0241 110898.683 360491.718 165097.4423 217076.8227 41634.36608 535021.4315 180821.8889 4504.889405 4396.163198 21811.04336 24528.53188 55457.39751 29376.30998 12741.99874 2607.669919 12145.39033 515617.683 229352.0331 167773.1552 141461.5289 341321.411 57818.14886 207573.375 309159.1499 187433.5813 33769.05238 52136.34579 109925.8747 86044.67293 60694.30474 65271.07839 34685.50555 29597.94699 43186.23284 Glutamylproline 4402.997795 17609.55013 2633.738639 4608.661245 3587.296064 2953.782739 6282.73444 9106.334047 5156.222988 119166.8912 90505.9626 77262.11878 128670.1333 69078.89965 66321.13863 100650.2007 57565.07043 111047.5317 2098.967562 2639.775719 2490.897122 2034.911943 2056.578725 2232.883081 2337.737729 4368.643877 2048.434406 79375.45472 86020.29863 67263.02479 74664.95767 98981.61976 73362.28186 105729.9006 43268.93313 81548.89348 11480.92546 1749.811854 2625.870694 1687.104508 2119.305801 2210.80137 2058.004827 4272.532514 2790.629233 1216.88774 2344.849535 2354.398966 7964.284088 16270.77169 103311.8873 4299.07931 82796.66649 8017.21366 N-acetyltryptophan 3984.248226 5280.904699 7546.299711 10011.51088 11810.93945 6727.389968 6354.787662 2532.271634 2537.310586 551.1982044 863.2969485 2148.58471 380.1933605 2065.144885 885.6047743 1717.746985 254.684751 643.1259803 5372.226015 4754.718994 6393.080558 5720.073336 7210.802262 4788.165691 5835.547089 5861.221832 6661.002074 801.7440303 1102.489122 1410.49839 652.7006902 1389.954515 1647.349326 1163.021629 1054.08313 1628.498535 5118.106335 4717.111496 5125.811723 5067.584596 5173.843018 6499.143831 5047.201125 5519.137149 6212.469196 4739.903418 3714.983171 4205.630753 4331.591237 5669.460001 1017.924532 4561.469651 665.8114585 5176.091229 Ixocarpalactone B 4175.180084 9077.228598 5291.094465 5500.957756 1153.468954 3746.619928 7520.222376 2934.82812 3141.409355 349194.9433 313464.2456 177091.0947 356999.3491 149338.6693 254571.8447 87139.34414 59052.01014 135401.0915 12110.04572 10755.84565 8159.600064 6840.936906 1344.28819 8147.693795 10091.92663 14862.2692 10405.30442 37676.03051 173166.4884 242452.0182 146964.7719 242544.3754 188214.5236 160055.8173 54207.57645 206672.5986 5199.983965 6354.000975 6451.790732 8379.33687 10137.9236 3700.173032 7029.6026 14793.10884 14480.83196 4251.439365 3010.540604 6222.247369 4554.489334 2623.103604 197403.2458 2209.669184 188459.5363 680.039828 Prolyl-Hydroxyproline 472.4011081 4.07813e-08 424.0447354 561.9098247 538.1610967 725.8989607 800.101966 629.4513486 1162.241635 29478.99639 16594.05975 20989.36015 31814.66813 14190.86337 36617.04628 39259.11347 17231.01069 103404.7947 906.0050198 707.6808735 775.4854921 540.6776387 1175.315566 1159.566197 870.3849155 1128.823956 606.2693581 69148.4048 51203.01944 29790.0425 99695.97402 14017.91159 24281.80111 48054.41307 27962.81346 33676.20968 700.5426262 583.5893541 394.5524064 1039.647294 712.2539101 601.6405425 1342.630173 2381.348276 1705.905905 1372.385011 1029.608373 871.9303569 176.4874745 907.8080285 35923.96883 439.8985599 61154.86939 812.6040228 Trans-3-hydroxy-L-proline 2161.238964 3683.684321 1452.17401 1196.913081 887.0236754 831.7198757 1868.031843 1511.863086 1259.791409 15435.47088 7492.148411 7254.643851 12888.59012 1401.285693 5589.583202 3686.263578 1214.315273 2071.322194 678.0263324 1249.019638 908.970174 630.690634 495.2684468 121.55141 1227.011629 629.6408905 768.3180128 5941.499707 5539.248828 1128.461812 5647.914153 1924.355829 12807.13128 8860.564894 3750.031579 2854.711014 2548.951868 1316.15595 1517.006051 608.9684607 897.6330598 1122.747847 213.1438739 999.2369781 216.0057985 4.07813e-08 219.5269162 1235.455519 1968.060361 3649.339541 5442.450418 1475.009251 8323.442342 1498.039551 10-Formyldihydrofolate 4232.264581 3274.193458 7444.798127 14071.6162 18035.56032 13401.17383 7225.794582 8242.612513 6545.398057 2207.577398 1955.597143 1331.11757 2423.58092 1861.831956 1049.138303 1146.382987 280.939914 3197.323715 2785.774435 3821.09778 1454.570588 496.8892301 6805.603577 1737.68448 5545.818569 110.5314385 5043.174497 1387.288477 2036.608437 620.4048544 1357.275377 400.1156438 2167.447025 2079.63767 470.4115978 2685.468908 1191.432477 1605.273326 3201.90166 5639.25096 2812.15427 6673.724159 3104.921352 848.9671038 48.44596902 6239.383138 1995.867897 6571.067743 9949.973015 13116.4709 1312.847758 9872.740411 79.81910038 8181.411888 2-octenoylglycine 2107.642456 3250.758262 7133.010959 2587.870804 3408.471151 7290.413318 5389.008263 12741.25077 10027.36675 561.0720633 287.1531452 1017.986556 676.8075892 216.7473773 919.0084413 693.7913219 564.3785651 813.7023061 1935.075578 2188.576614 2685.725914 350.5580876 2064.336666 7801.42428 2272.966985 552.6750005 707.0095783 1739.700522 557.72241 622.0129515 1017.031785 918.539605 1165.121885 2221.748536 474.1588268 1085.320095 728.5576953 2972.82649 6806.721218 6105.065427 1759.841606 1375.810507 12739.07097 621.9428842 822.3150558 1584.166546 2628.615953 8211.445882 4119.745722 4899.850364 923.6461259 9840.132546 357.2571056 10899.03936 Parvifuran 6105.218004 4921.284372 6866.726543 2997.051181 12866.25561 2577.28546 5108.799393 2505.661816 6080.130624 180.1619125 69.25154534 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11994.10552 8870.553492 11270.85798 5881.718219 9917.839105 8670.340569 8070.35429 9884.117828 6874.259213 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 161.3262758 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8032.588315 6049.307858 13505.75611 4372.544803 6300.191599 11946.82889 5886.9116 8670.157556 18919.92542 2831.24821 6509.144891 7740.040624 7888.996827 4695.513034 4.07813e-08 5416.493655 78.5467495 6369.291549 (1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid 5535.526365 3384.340252 4743.973863 46689.25542 8530.052445 8317.689832 8532.800456 1024.480658 5508.779992 4.07813e-08 4.07813e-08 360.3496343 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 517.1723234 10772.65154 6030.862221 4250.851421 36032.73765 15838.44626 9718.839646 7880.46007 236.5610841 3081.770616 4.07813e-08 192.4467584 4.07813e-08 518.7303895 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9429.573329 3620.69981 5173.719129 16961.695 36622.92605 16166.85111 10302.55926 93.08668497 2253.226974 8578.480385 8268.501239 17346.62196 11504.03647 5246.603172 143.3769903 16331.44053 81.22542275 629.8345391 3a,7b,21-Trihydroxy-5b-cholanoic acid 174420.9433 519288.2331 488645.65 347639.6132 400154.9723 397690.5472 766063.3584 451995.4951 385514.3997 40505.03137 12268.69408 111982.3667 48105.41372 113357.8031 124089.5738 20729.08153 138578.299 351860.8444 362799.3717 441502.3054 741546.1811 531654.8443 718937.427 422549.3852 637038.1687 635468.0438 1027699.131 14174.99219 307445.1384 7511.75303 53218.69518 18231.71061 8695.135268 47026.09304 86522.26286 47331.16274 367409.4367 575203.427 748764.8922 720009.6657 501128.5967 601255.2317 412662.2697 487087.3546 1251783.754 1701990.545 798173.094 620467.5933 552362.5961 467432.1474 134375.3675 531357.6474 90582.76626 616039.8895 Imazamethabenz 5466.163909 2900.512207 5463.333267 4768.423212 4526.287889 5647.84672 5925.08403 5401.433466 4684.672609 180.0030575 333.2531039 231.4859354 105.3719223 54.93917659 97.5627315 4.07813e-08 60.50434061 75.7513086 17643.05859 16698.89222 11388.80771 15026.28292 17280.31959 15598.5088 14316.32841 19190.16879 18721.14425 286.9233031 234.2919993 385.5609543 219.231347 837.29733 239.2726253 438.2468711 4.07813e-08 91.96175866 9634.743758 12489.79908 10021.52313 12088.86835 16361.85251 15736.5118 15735.77782 18571.9859 21888.8886 17762.74032 11776.79236 11169.2044 10250.56684 7691.587342 565.5976968 9772.749075 221.2002855 13269.43899 (-)-trans-Carveol glucoside 3529.754008 17630.20804 2566.859747 4616.855893 1972.875866 3875.100804 12703.08698 10905.52315 5794.896601 42459.02199 37771.52022 25315.36999 41537.43772 20543.86956 26241.65768 15663.0664 18856.37109 32558.87063 3854.392988 2727.869074 3112.320745 3447.153696 2617.05064 3552.290837 3125.096484 3294.441992 2501.637087 36544.47402 38233.48517 21222.34083 33184.27211 45361.98947 33924.23233 49076.7078 18544.76477 21679.57749 5691.274553 2598.196666 2472.798794 3256.978669 3705.020322 3410.576991 3217.214205 3141.53791 4398.881544 2463.208804 2988.648569 3866.218875 7580.949318 14608.66179 44230.49538 5896.60336 36154.95826 8805.495186 4-Hydroxy-4-(3-pyridyl)-butanoic acid 24313.28251 18434.31087 19489.55033 20428.31627 21884.23269 22652.96622 20710.72925 20389.82585 16803.37832 545.0318849 895.4132847 1069.962119 940.5365972 793.2630987 784.0456402 1283.389238 912.8036213 1058.107431 31072.37725 34364.41846 31996.25626 30224.68745 34708.49946 31176.1889 29162.70252 33341.44593 35669.94024 1029.721185 730.5492048 1157.454118 613.0340106 1903.231996 982.2446898 1051.581167 722.1070084 641.4697432 22734.4945 26086.59412 24911.20077 28395.18399 30447.66669 33020.03586 29168.43727 31602.61021 43745.97526 25909.99303 22778.52609 23548.22007 20675.53184 19630.48832 1705.375724 22373.1233 1415.234164 25299.95978 2,3-Dinor-6-keto-prostaglandin F1 a 779.8831329 958.2891371 439.7206793 945.7139026 1243.742432 1378.27115 2021.900542 1485.830989 2876.639771 4.07813e-08 499.6429849 4.07813e-08 71.9335399 4.07813e-08 4.07813e-08 3638.053651 2737.668889 382.2079746 1507.747304 1532.411337 2169.063309 889.3989972 1569.961491 1396.664624 1426.994974 2223.20495 2023.507822 403.3588048 4.07813e-08 146.1274527 4.07813e-08 606.7434075 430.4627695 4.07813e-08 527.9618484 113.9289599 801.6047925 459.315158 1475.766674 1334.828704 1274.907299 2124.204958 874.1790472 1852.246341 2586.521332 621.9004747 1511.161119 1827.783825 1276.482334 1627.645255 675.1525615 986.46399 127853.4459 3511.338646 3,4,5-trihydroxy-6-[(4,5,6-trihydroxy-2-{[(3-methoxy-3-oxopropanoyl)oxy]methyl}oxan-3-yl)oxy]oxane-2-carboxylic acid 25381.27788 19732.13564 56575.35454 40356.42218 27815.31383 23391.23714 36471.40648 30400.52037 11465.58751 72903.33126 42126.00156 10714.85892 28074.89579 53702.23933 59392.82124 5629.216667 15971.85993 3437.167862 1659.941845 699.4787308 1366.259702 3773.104994 1758.2817 1705.182853 4268.716059 914.9870347 1248.790065 26027.63506 32590.88011 15760.97303 56657.5143 11397.92924 21973.77032 91756.58609 37829.13269 37836.62436 4158.153554 2047.043713 4958.338663 1676.770577 2613.867385 1708.212845 991.1207926 1079.506897 1919.699546 9639.76893 3375.89127 6899.631779 8580.260626 7173.081722 10601.02215 9958.731366 57854.83929 24508.83323 Mannitol 89090.9884 83611.62291 75524.79806 85719.01709 76677.52188 168385.5451 131993.7479 110394.2543 95541.81308 313786.0634 259730.9985 583526.9515 276897.5122 1094244.049 433989.1575 297958.552 666117.3777 250276.1771 49839.31197 48897.78328 49564.06949 144970.2208 108430.8412 88109.09502 75978.51094 81470.36633 69836.92919 1566283.152 680081.9477 468620.7206 544119.0163 380832.4753 361474.5881 332559.3626 1067671.774 434676.2816 48435.293 153960.7244 125099.181 86419.48168 77744.66149 69346.56988 68045.1726 65645.18333 69556.15044 196852.2059 134190.7497 97305.54376 92245.95453 88656.84558 512955.4552 63866.03255 323791.6584 178416.4074 (7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione 62154.64897 32892.67432 75152.43966 77360.68348 102988.2596 97993.75554 80228.96079 101146.2323 62953.78428 19160.69157 2261.326933 32422.6192 19451.03538 61882.7617 30767.47918 9390.543908 5719.6979 64897.71742 75211.01748 66314.79284 67503.67438 63293.34079 77670.68033 79240.48792 68106.99525 72613.63256 68892.42334 1482.241077 28250.66276 15046.6182 25030.70806 4862.269844 4018.266406 24983.63375 3367.469784 89363.72519 57762.5347 59499.25741 60514.67642 59323.07739 67810.4972 74868.26049 76570.52095 74888.30591 77052.54872 65716.94584 39530.36155 52552.2559 63851.85433 50908.83246 44636.38779 55378.73103 5987.723895 67170.68036 Octafluorocyclobutane 55649.1644 54844.03499 56322.26073 57660.01265 56346.54506 52262.59136 51056.81497 50718.73996 52777.85814 39487.63573 37986.1214 39627.21143 40607.44649 45629.2029 35860.91898 46777.48772 31816.95667 47122.30273 37754.72145 39710.45863 38144.39279 40563.87586 36970.31911 39239.30103 41032.74474 43551.71149 43386.5494 35286.47063 46229.33144 44595.02272 51281.05658 36532.35995 38463.53718 37512.85288 39144.97069 51825.23462 47304.36611 40518.97858 40320.20764 35018.24152 35832.75383 38288.94955 40007.05231 43955.30229 44545.07136 45594.84923 44239.29763 40536.05738 42215.22635 41739.30283 32512.85709 41328.45251 44545.74513 52307.72165 4-(5'-((1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraen-1-yl)-[3,3'-bi(1,2-dioxolan)]-5-yl)-4-hydroperoxybutanoic acid 4.07813e-08 4.07813e-08 4.07813e-08 2.296894777 0.603857645 7.238130926 4.030913518 0.00151214 52.34004855 88.82861453 18816.03326 388.4203168 55.01131364 319.3787888 370.0770033 17424.73457 46177.42135 1575.908782 4.07813e-08 4.07813e-08 4.07813e-08 3.597990862 4.07813e-08 4.07813e-08 4.07813e-08 1.888663 4.07813e-08 30861.49971 67.45186152 51561.49405 258.0393049 37271.66029 37778.01557 141.0459903 48447.01884 708.3396866 4.07813e-08 4.029085053 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.288932164 4.07813e-08 76.22013436 2.867333391 0.052448315 4.07813e-08 662.1221058 6.69821618 6949.052192 10.26876888 (22R)-3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic Acid 3177866.431 7535049.143 1313941.53 551189.3644 1153765.217 2348993.734 1522127.247 4067199.444 4751691.237 20793968.83 5586108.552 92370412.49 20105309.03 151740894.6 141520435.5 51623929.99 231804449.9 139381640.8 171499.7281 160251.7998 476136.2236 218989.0871 133569.0984 88085.08386 215493.365 152617.5159 133281.8009 39993671.92 37774730.73 7296781.195 43001494.45 15936149.21 11213986.23 34786358.11 77184429.61 16993189.31 220619.8953 142682.8605 219292.3383 176737.1423 113788.0983 138593.4857 100120.9283 153392.7292 96187.14886 370638.6209 13817181.34 4308481.274 16457237.69 5207471.612 30271363.18 4715307.325 9816895.036 7219176.743 Aspartyl-Isoleucine 141027.2509 194042.9589 80199.45828 117620.3712 102442.7773 82399.51489 130795.3825 202204.9412 273981.3104 43287.60124 41530.80631 36982.27613 48662.32966 23999.48727 40164.0873 27078.14824 22834.45452 31264.2008 29246.40046 42335.15247 47157.3832 22479.89258 44242.99898 36764.7263 34208.98563 20903.04952 32036.77122 72322.5147 34287.80375 23448.61922 38069.03176 23166.07527 26582.69907 40496.94921 48692.7243 48850.28899 52793.8554 38903.78631 51936.51198 56448.0397 36133.11892 39311.83321 44196.64157 25226.22461 16242.53111 35897.54591 80142.10192 49781.31863 92329.7012 201165.0001 24801.53014 66874.84856 41658.48409 53885.62604 N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine 1045.006205 1148.537205 1391.911632 907.7574032 2036.883771 5290.120366 3027.345494 1153.035997 3162.093252 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2638.019789 3964.810433 4100.741531 1965.844696 8645.175915 5223.498761 3259.320848 1613.093776 6606.410023 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1433.175459 2130.247542 2623.602922 4024.379498 2531.784377 6672.564242 5694.585326 2380.597925 2921.128937 9107.088982 4923.706378 3655.099734 2018.337836 2093.537525 4.07813e-08 2448.308024 4.07813e-08 3470.896152 6-(2,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88.93892747 4.07813e-08 10.6741071 4.07813e-08 4.07813e-08 4.07813e-08 24919.82725 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4272.602058 10044.72041 4.07813e-08 4.07813e-08 66.7871358 4.07813e-08 156.3533764 77.08105767 4.07813e-08 80.91923942 4.07813e-08 9.913086847 18021.72293 4.07813e-08 17149.04785 4.07813e-08 16228.37601 14349.15802 51.55031894 18748.74848 4.07813e-08 67.0309846 4.07813e-08 4.07813e-08 242.8038193 4.07813e-08 13.80339825 17.74417112 4.07813e-08 160.0879033 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 84.15047815 61.05562801 9305.48815 4.07813e-08 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate 4.07813e-08 17042.06994 4.07813e-08 265.8217224 655.421093 958.2462545 5690.355241 6578.704487 12757.5226 362.3257001 138.9342984 362.5319748 850.3252261 163.0044562 227.5904988 4.07813e-08 2349.490664 1115.08746 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 549.1310722 670.3533253 1470.05566 378.817446 1836.708647 4.07813e-08 704.937117 626.8904729 1469.580613 6604.21445 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 168.8338741 9964.403075 21096.15857 1605.816789 7607.752158 1592.168661 152.4321047 (6S)-dehydrovomifoliol 10331.34098 10832.99475 11933.55463 10816.14199 13201.87397 11762.64586 14834.8093 4677.408707 11317.00226 350.7131336 93.56576067 432.8593081 918.613568 218.5729963 217.1391785 4.07813e-08 4.07813e-08 3743.492006 19334.64388 19911.91801 23287.13001 24042.96335 28866.441 22026.92296 22791.29172 9038.095074 9766.703825 55.55855442 649.2623621 92.13608316 262.8001573 76.10507624 136.9037183 332.3529594 4.07813e-08 261.3509942 12380.78683 18133.71303 18463.08487 16405.98544 26141.54612 27931.77272 19552.088 8486.84038 10556.36614 20561.76853 15630.53516 33229.07437 12141.33073 10520.56883 707.3708069 19111.90608 316.6927419 7172.05764 Varanic acid 64482.4291 37781.39909 65810.91204 52133.54838 33459.80423 55269.26685 62161.55481 78410.11223 63707.68589 22634.23111 24782.40131 143845.0303 23327.43431 90319.73266 74291.69127 37878.99309 148311.6223 180305.8262 83588.0186 82957.83682 78455.89064 100310.9313 60365.07305 56661.2474 77640.75141 35118.3832 19314.88316 134954.1119 36154.26354 40891.97421 6639.854259 15150.06527 26070.97525 34059.31547 71664.66293 72425.19545 62928.64409 42652.92245 56580.96995 95902.08624 103311.4148 62791.44093 54622.3404 28981.86009 23694.50288 108071.1054 80234.92856 168215.6987 48472.45378 60181.81617 46327.23467 77311.98659 6457.510372 77135.52469 3a,4b,12a-Trihydroxy-5b-cholanoic acid 13809344.47 12154487.14 14076586.32 4076504.62 3052642.938 13881342.64 4154572.734 20340297.65 15274457.34 2852550.54 2248828.017 19613874.16 2907769.035 16804991.67 17552249.4 6036700.675 86996217.93 10849337.93 4504731.966 5374544.461 12397526.79 10485256.08 1620451.07 224147.6567 1840052.453 504187.8642 165175.7993 20289641.9 31812591.47 4057141.306 12901218.06 10961699.57 3669508.078 16338074.12 34963717.94 6341974.88 14960254.13 2668228.737 12102086.65 5223056.867 3071334.199 2966823.401 239755.4818 379471.7379 138675.9139 12964735.44 35431567.95 14679957.69 21690731.75 11179844.61 10962554.63 15839553.8 2589786.52 5939407.644 (9R,12R,15R)-d10-13-PhytoF[13S,16R] 6988.48576 12196.70165 4952.125158 8466.609852 13367.4268 14012.52777 21201.19115 4385.737328 3799.053609 1179.627465 1531.71806 302.5372371 1670.862536 715.3435622 1654.92649 655.2389669 107.3061571 306.1958192 4143.388854 5928.04834 3748.653397 4537.751262 9889.468767 5855.003514 5074.894702 4610.560268 6261.605993 178.2642741 551.8910923 210.4526525 4.07813e-08 290.0697416 404.1373114 335.0944389 201.0815098 237.5551086 1654.012271 5549.205509 3554.981036 4697.085882 5771.008098 6329.375846 5893.07395 3897.59075 10465.14188 5302.11289 3320.263562 3559.781509 2600.324481 2521.753418 251.5420773 3047.940713 432.7061261 6604.691655 L-Galacto-2-heptulose 5288.553726 11224.67589 6817.893835 16992.56814 15376.25573 10094.59551 10224.10935 5617.597971 6720.399889 7338.745001 5771.747962 4717.66433 7285.147127 3205.567552 3884.539349 3035.651927 1693.294783 5622.149631 10304.3411 45619.45446 10716.17977 24119.57465 38046.28606 30128.91795 29976.70028 10604.52493 19005.42491 8752.896761 5957.423353 3929.930601 4879.129356 4451.604836 4862.616922 7939.823476 3339.394011 4125.342305 10028.98085 19291.61596 6653.373641 15529.43967 22415.95221 39426.43747 30969.00819 12877.96405 9717.984502 18569.59546 12506.7227 8537.169535 9538.985367 11635.24832 6799.179763 9848.079922 6623.369515 7899.388761 1a,1b-dihomo-PGJ2 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1476.976418 815.756396 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 141.7665195 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 230.0069767 172.316337 2296.628296 1055.279408 1635.122917 161.0903108 117442.1188 549780.8085 4.07813e-08 4.07813e-08 4.07813e-08 277.6496434 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 258.3753626 779.1322851 4.07813e-08 182.6105509 2285.47758 362.2508171 2379.284884 90849.37259 278488.6423 4.07813e-08 4.07813e-08 1653.11253 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 180.1798804 17-dimethylarsinoyl-9Z-heptadecenoic acid 5006.054069 17010.93593 3605.010405 6636.668865 3280.392743 7640.582415 9057.32785 12684.62744 23937.00996 6939.179034 6952.360062 5814.461001 8161.312337 14379.2396 5925.233975 1585.731268 3034.35829 4289.698666 1039.452994 1110.848915 3583.898181 493.9778111 367.6717966 834.4851323 851.9931914 748.6584318 1347.296862 7882.430232 5565.773089 2389.759241 3814.900669 5673.309806 4418.330932 6454.278116 2240.952016 3871.642018 2093.119737 1702.027243 4217.391469 1870.308092 511.90988 663.3885829 927.4008277 1070.962381 261.8980005 904.0714308 11115.46228 5962.076019 15739.1667 36495.33114 5140.847709 7537.965103 22064.78876 5558.43785 11-oxo-dodecanoic acid 1843.274479 2603.048088 5300.393132 8908.745993 7573.745167 4009.227773 3292.710987 2662.417127 3139.953935 4.07813e-08 0.012542141 45.25825419 51.17733776 4.07813e-08 0.700919156 38.49193653 4.07813e-08 46.55381565 19379.19963 16554.79128 13740.14063 2842.102882 23377.2645 9617.511539 17897.38941 13067.84366 37735.06447 98.64710063 48.7346546 0.042332491 4.07813e-08 48.08466463 0.032229882 82.39987374 0.078655857 0.713699438 6202.89754 11172.92591 8486.567416 10961.13786 2863.771021 26005.97073 8555.36246 13541.78819 59486.37218 17139.6474 9808.537463 5301.790814 11080.54341 3453.85304 94.37183957 7896.286318 4.07813e-08 11678.3628 Phenylalanyl-Lysine 1297.770306 679.6496986 892.3708121 819.5759852 892.8098493 869.8325024 787.5508328 893.2668263 1382.562306 1582.196826 28859.17429 262.6155663 1050.461201 495.7939161 3520.789111 15381.24818 8145.764949 1236.903147 1767.561592 2564.108969 2554.509653 2451.248131 3099.905585 1708.007807 2006.179717 2076.054094 1726.840608 2042.580317 387.9721928 2759.332225 84.67956019 880.6882797 700.7571162 1104.618674 2433.043205 189.2163782 1623.377522 1607.850467 1494.042291 2181.982033 2273.664366 1775.563113 1821.945863 2222.662687 2622.039018 1527.73583 2000.403649 1594.281361 885.0762957 1388.459978 487.326407 1159.880102 2062.485562 1337.370918 (4-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]carbonyl}phenyl)oxidanesulfonic acid 3156.451784 14454.21724 4193.60458 5193.522547 10209.64105 10586.92418 9237.337598 10470.89638 12611.38941 4.556844192 5.294494989 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52.39200151 66.03223561 1219.01976 2143.718979 1220.062913 151.3562165 308.6592346 655.7883354 845.9069496 4.07813e-08 292.7521718 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1044.623243 734.3439903 271.911944 722.0721868 246.753569 476.9325346 274.0739285 4.07813e-08 4.07813e-08 661.4993614 29796.38469 7191.132383 12913.05503 17127.03921 4.07813e-08 16608.51219 4.07813e-08 22309.25119 Ramipril Diketopiperazine 1175.560726 8668.157583 82.8252472 2405.142301 1440.334072 4.07813e-08 11281.99262 2726.033987 3137.695831 4.07813e-08 47.77862658 4.07813e-08 63.10880444 4.07813e-08 3.278677942 4.07813e-08 4.07813e-08 4.07813e-08 339.8966525 186.2916654 257.1277205 35579.05501 221.2096139 73.74371086 10440.86192 180.694453 245.419847 4.07813e-08 3.354219434 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5390.266803 53.14701266 4.07813e-08 151.7240747 221.7149251 382.1703408 139.8118195 227.9334743 715.1196843 680.0466628 2934.233624 429.7683523 3608.007532 4009.505778 6.905244709 5349.663097 5.173108814 1806.245996 Sorgolactone 48520.24117 39434.46122 69915.02304 83868.8765 95186.50064 100478.6594 59633.15099 56606.36131 56692.37396 13.43034196 679.445115 44.48397408 24.54181968 637.3487252 119.8517248 257.0847322 1069.55776 578.1951588 90268.06246 76945.03682 69135.05459 77721.35274 41987.342 84234.31212 52294.83081 78909.98763 56428.40859 45.55977675 480.9911029 1091.689027 1002.754577 2082.920866 130.4698932 142.7951381 542.4072697 138.1367573 53660.43201 55628.02126 45061.56622 50056.47241 71984.71271 48953.59627 69018.02701 69488.09595 76545.3936 44131.36657 78303.16405 60454.24928 38494.12202 34579.271 8400.346462 50585.61817 1209.096653 59545.74184 3-hydroxy-2-methyl-2-[(sulfooxy)methyl]propanoic acid 49321.96176 56474.78747 46473.63873 64398.47701 49629.40174 39506.07675 43612.85535 52579.80591 55089.55553 65507.30473 54354.50111 59818.59464 72516.1731 50965.56342 32780.71985 55130.24859 36174.92854 53951.19691 47423.9162 58259.16284 44624.42278 61101.27502 41229.98366 35930.76792 44587.82873 34453.29778 30481.47571 57061.40442 73478.30355 53775.70086 49791.33171 49843.17281 51450.56408 62473.83489 43285.06784 46094.82414 48031.98583 57761.07643 44923.1407 43382.18748 49711.09576 46372.53904 34608.49282 31575.21874 67491.10526 29960.81446 28753.29227 39054.9734 46477.76305 41375.91746 63197.66972 46014.06506 28791.25811 40911.72385 Clindamycin 0.049373818 991.0847012 0.583724757 44.24850086 4.07813e-08 4.07813e-08 504.5546291 216.1122237 223.53635 33117.43373 15673.23392 11241.12439 36157.43735 2226.619803 25817.97556 4593.564258 9385.720957 10598.71177 6.33310579 4.07813e-08 10.79229066 14.49349326 86.27362954 85.94951091 4.07813e-08 30.31383778 166.4087948 33677.00136 21603.08743 2943.220573 16768.35244 6832.462112 9588.594993 38700.69121 10077.66338 5966.292943 162.8277908 4.07813e-08 27.1233228 0.19480569 0.718178058 79.03662011 89.10845993 94.24569298 4.07813e-08 12.37418182 4.07813e-08 4.07813e-08 256.625234 2130.143185 16950.3069 8.077592209 21143.63727 171.7994346 PIM2(16:0/18:1(9Z)) 2855.129708 13494.10346 399.8421032 4.07813e-08 4.07813e-08 4.07813e-08 1550.384766 4536.491215 5973.773396 20738.88397 23991.19869 21911.38942 22119.39281 29669.16919 35645.88985 79961.19234 30817.20586 48315.81072 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17509.25139 18207.43718 63419.40442 31905.67382 43130.37183 16678.26128 73925.22584 22380.04962 95649.20238 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19043.58535 4.07813e-08 1829.884688 4.07813e-08 3b,16a-Dihydroxyandrostenone sulfate 47212.76614 41541.23673 48044.94673 45446.82628 45383.94627 46412.57557 52766.05886 62445.86884 53415.13856 18015.01426 12509.16261 10876.07085 18709.56611 12772.46997 15494.37943 3558.290331 11709.40787 23151.14987 139416.4191 143228.289 130766.9342 124291.7494 151233.7459 126973.8398 127243.0995 129392.2881 131604.7365 21609.04903 29791.67445 14078.77395 23658.0052 33377.30059 18363.42028 30788.69551 6617.46446 12818.73587 83376.06571 117817.3847 107601.1298 116376.4313 144789.1029 151424.2285 108132.1625 118739.2391 202181.2621 93297.00714 79665.99641 99579.68232 83337.00861 71346.48213 45198.28643 92428.17724 21812.67892 91353.14113 3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-cholan-24-oic Acid 171898.0038 262080.9973 326191.9269 277586.9555 317292.6337 251183.5147 278212.9229 252260.4745 370588.5576 51403.91038 5925.718528 110471.3245 59237.52473 193426.9741 166536.4589 24455.34029 50965.89217 511545.3106 254633.0713 294987.24 315561.9458 268126.1576 358276.7064 287754.3634 292434.3369 244480.3213 841674.575 22102.97787 54185.99152 11112.71803 18767.37108 11628.78003 7256.883132 25823.40263 38533.99381 39363.89462 198892.8016 279396.7532 334194.0885 388433.4686 240639.7869 317611.5622 260374.0585 211860.0166 910968.8554 762321.3951 346800.0921 249882.0629 276262.6589 183460.0188 82536.38999 239694.3819 5441.370561 268425.7236 Hoduloside II 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 127966.7756 94739.43767 105109.4833 88444.81604 107211.5622 81335.48734 41942.57779 97266.1882 150125.8051 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65571.81761 86102.21822 90458.86934 82171.695 128469.4058 75921.24892 60062.15801 77517.1876 61985.75364 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 332.4971377 4.07813e-08 4.07813e-08 74325.88727 4.07813e-08 164205.3129 4.07813e-08 Vorinostat 5892.434939 3203.941713 5998.048436 1697.852767 2874.052234 5244.542045 8932.496979 4445.353059 3742.674074 4.07813e-08 4.07813e-08 38.36280212 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24872.96922 40199.1985 11260.20658 26230.17024 32316.04242 25626.50273 27529.86418 33865.54483 33849.57291 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16567.27709 27280.12485 10916.16634 18259.9756 25463.36713 32130.94429 24108.67047 36363.18331 27790.25959 23850.11422 19203.41843 31714.24744 18028.45594 10771.45944 4.07813e-08 21801.29491 4.07813e-08 26321.79414 Retinyl ester 4.07813e-08 210.9844902 1492.732226 2398.592704 764.6740445 3384.041376 1579.329796 4.07813e-08 8320.299947 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17529.0987 34535.73378 3487.845074 4044.674283 2732.495294 13315.76214 7494.551392 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1000.267495 4807.873403 1478.164025 274.0399351 6392.242972 1112.572405 6309.470815 4.07813e-08 4.07813e-08 7563.402251 27278.612 10669.84036 172.8069536 4.07813e-08 4.07813e-08 7038.887479 4.07813e-08 4.07813e-08 5-oxo-7-octenoic acid 2597.891457 2711.392134 3010.67741 2992.037504 3367.92223 2413.114605 2708.799668 2911.169189 2673.082645 1532.685648 1337.952022 1286.82019 1532.918125 1285.786212 1600.210464 1064.141753 1035.895162 1597.791343 4983.760843 5102.180292 4960.323127 4281.647716 4977.999891 4692.800552 4564.907055 5449.09816 6044.187247 1495.58241 2016.983697 1446.103051 1889.904916 1853.108674 1401.394369 1880.603547 1100.785213 1644.60823 4392.287296 4769.189245 4384.673696 3874.783664 4393.97971 4848.820687 4357.575461 5468.976218 6752.023464 4487.986849 3736.651243 4122.182613 3979.564484 4127.598677 1907.154654 4401.188425 1886.788143 4325.035859 Caffeic acid 4-sulfate 4.07813e-08 127.3714679 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 90.37139625 4.07813e-08 1990.903709 2415.002047 1630.962623 2700.412252 1134.085688 607.0828248 427.5000297 794.8098235 3654.789179 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1123.075962 2347.494081 2817.099647 1900.614704 4928.725605 1590.916122 2979.686564 476.423083 4713.920118 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 81.99293672 75.71830006 4910.982871 4.07813e-08 1999.739538 4.07813e-08 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.057245488 4.07813e-08 4.07813e-08 0.037068767 0.015855102 7678.228636 10383.66483 14318.7659 6579.147545 14871.69697 10527.48084 11588.23411 13823.97338 3944.221737 4.07813e-08 4.07813e-08 110.3795125 0.201242753 17.96557305 31.49868025 4.07813e-08 150.9549843 4.07813e-08 27438.30483 5997.273974 18015.23486 6771.330965 29334.70881 18407.80061 8571.528711 28867.80634 20531.07217 43.15310642 4.07813e-08 4.07813e-08 6.8815e-05 8.227282013 3.534504593 61.70182076 69.80270484 0.205164187 3.153158985 4.07813e-08 4.07813e-08 4.07813e-08 105.3415913 15965.23633 37.87422259 14678.21043 4.07813e-08 2-iodo-hexadecanoic acid 3827.829118 5804.006776 3646.101596 5198.855338 5417.942217 4061.389713 4240.760285 5133.227677 4931.060258 10100.70658 8679.15238 6546.625627 10159.70126 5695.556749 7757.871618 4113.359329 4644.530134 10366.10872 7219.579665 6078.043662 6523.288876 6349.689302 8069.849826 6059.201798 5423.816531 5463.168119 6710.822811 5976.484969 7166.186984 5671.436259 4585.195618 8532.511076 6156.862042 8269.125843 3310.519195 6232.153696 4869.754951 4208.610011 4424.419518 5511.380468 6701.767923 7647.751038 3844.246612 4902.638646 7937.98679 3867.033053 3755.119184 4203.074665 6662.740887 8482.848468 9070.324762 5369.777618 8777.685659 5175.799086 (-)-12-hydroxy-9,10-dihydrojasmonic acid 56720.65 65914.24052 47717.2622 55439.64953 32851.59104 27896.7156 40223.6419 46965.80414 54382.89024 16187.20277 13461.76689 15740.87337 16591.93834 13679.77823 16953.17142 11754.43506 12850.68446 18826.1138 58036.15682 19281.92493 34405.63282 28073.61877 18467.96727 14056.50559 27296.85219 14869.42029 16100.21827 24176.21555 20941.19185 14892.10453 22950.65038 31255.78028 24517.46278 18457.7378 16351.21369 17515.76418 92339.67516 33017.7734 25264.06183 19000.65539 21641.9094 22764.06597 13751.25981 14216.30325 26465.31131 11136.11167 19069.56362 32808.46069 44469.8432 50731.08355 41150.56482 40055.56883 22267.2694 28824.56356 8E-Hydroxy-4,8-dimethyl-4,9-decadienal 3140.521707 3379.204036 4220.902104 4518.34086 6419.289239 4895.092031 5634.35266 6219.235128 3811.59304 94.79600719 89.02038842 48.9745402 90.04992254 83.34343033 90.40296038 104.4709683 4.07813e-08 289.3617852 10526.65949 11223.06996 9749.312822 7183.267421 9930.200893 11444.99415 6751.689997 6843.81005 6786.432602 44.75911809 165.5462194 4.07813e-08 60.94350751 4.07813e-08 143.1476518 45.7916588 4.07813e-08 141.2826671 4757.186093 7056.280501 5006.813299 7025.189779 8250.53349 8714.197239 11938.79287 7169.56112 8537.634942 7647.646294 6268.008579 6213.152442 4777.537001 3013.464181 491.1350678 6090.442361 328.5450319 8057.310416 Cucujolide IX 6546.975982 9032.200265 6510.543377 9383.331429 9119.364973 6070.022252 8918.488572 7777.268485 5299.049745 4558.609939 4451.159181 5911.704962 4974.296817 5839.182106 4583.873538 3550.138697 2770.37728 6767.443638 6145.15913 5233.005686 5047.671109 6319.046934 32385.15674 5549.188958 7054.290894 8455.909962 4695.722594 4448.698647 4691.182926 4449.808654 4598.200849 8283.561784 6317.903794 4014.879078 4818.664752 8277.1629 9094.200909 4450.190201 5477.303482 4600.898706 6196.953216 35178.5844 4874.825257 7821.020961 7682.197979 3006.057358 3251.732217 5908.934571 4622.162808 8722.898064 9393.636138 5064.689312 3980.329261 4319.581409 3-hydroxytridecanoic acid 10553.7258 7789.67017 12366.08113 12048.52252 14259.55816 14289.14548 13322.18704 5054.531987 6985.753638 751.5311306 1011.984261 745.6119259 1059.201351 498.120647 383.4020674 298.3348727 235.5711072 95.01748547 15534.50687 15851.68231 14943.10364 11702.69419 34809.29858 19689.89735 15904.00756 9578.243007 8739.40412 382.6958061 745.8999603 381.8472591 203.3197129 285.3849928 797.2310306 669.4222875 363.226653 445.3246507 6053.848458 14933.61397 12009.59517 13763.81384 13282.85101 24036.9478 20142.95697 9378.415828 16869.81347 12851.65468 8227.540244 8726.198541 5713.741962 6168.460423 451.6787036 10240.89393 596.4029346 10701.06836 Carboprost Tromethamine 60581.66057 6411.387711 40711.72423 15640.13823 20462.47729 49143.05327 3372.214328 22298.3442 22675.96107 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46370.82876 20205.55842 30017.54484 30933.3029 42904.74969 25492.42279 7811.309533 19460.95867 23207.50039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40961.99483 20885.37729 45041.86189 21952.31556 41679.10644 25036.18296 27035.10386 13306.3639 31369.49089 7700.004702 9574.932194 10761.42341 12723.16439 6507.743192 4.07813e-08 4242.339643 4.07813e-08 6456.904242 Cotinine 29672.01362 36769.8483 13512.7288 22083.25891 11145.85168 14758.96219 33870.79802 43718.11592 58373.88244 7290.97947 11889.48016 8224.093129 6117.448504 3594.086559 11728.48227 6815.580253 7904.312546 6703.407186 2529.387219 3468.276835 8696.6298 1928.596456 1285.033876 2149.618893 4881.503004 3225.169847 2453.28092 16358.28712 7265.82933 3886.882384 8693.771217 4042.588023 7124.491892 13528.81804 16640.47898 6815.490563 10561.46508 5924.433495 6786.154249 5543.971595 3286.910287 1983.364199 2642.968036 3179.949111 1749.40549 4173.520588 16498.41609 9330.321148 16998.7921 24941.09987 3371.194514 11547.06956 3891.834661 10370.25346 Leucyl-Aspartate 2136.311559 3312.743156 1364.513026 1835.283956 1163.5328 1724.135641 3630.123509 2731.269902 1752.96226 12853.94384 34810.45522 8850.010842 13640.76226 10924.9683 12128.1479 18004.3734 14599.50476 14643.51905 2239.054438 2185.311717 1982.015275 1616.089126 2599.931303 2381.208882 2059.412731 2490.261651 2408.205055 11548.14939 14097.04394 13717.81934 12253.17828 14435.87957 11052.05647 14140.3908 10301.79566 11239.50652 2109.657391 2064.11843 1511.382427 1847.709003 2107.218392 2521.818056 2029.555428 2439.220899 2350.596562 1420.629242 2185.776401 2136.470973 2321.822186 3271.284329 14041.30918 2247.113967 12186.10886 3459.554921 [5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid 574.6832505 469.2509141 427.3962823 489.5943781 812.7351906 393.9294405 467.637072 556.6675811 530.461246 92437.42658 18355.33719 132058.9822 79418.86663 156976.7483 100831.7158 60593.76902 4065.555647 196873.2419 599.2373361 459.2169129 445.263252 439.8866624 412.5659946 462.3757332 701.9856057 496.0132078 632.2458594 1099.718081 104651.1106 23234.4877 42160.64872 16044.60008 10345.8515 27580.70656 1318.832125 130219.3316 512.6731982 327.2654604 392.5722439 386.9405698 470.7979286 383.1870521 484.8633813 662.2615505 731.0148097 373.6614125 564.0631757 409.8254402 638.1254861 378.6832553 101146.5154 531.950344 25947.74103 719.3751326 4-Methoxybenzenepropanol 1-(2-sulfoglucoside) 236.5572037 8791.505268 963.4765402 2253.406582 725.6584179 165.3411787 3837.446941 5315.693403 3036.547278 35670.51318 35227.58397 66446.02501 40389.96647 81838.08936 40301.40396 29118.4329 65475.58257 113573.5656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41169.60065 47634.68749 108284.5068 53579.27976 117530.7932 34793.32487 36744.96476 32367.0853 126345.5276 4.732345273 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32.24571156 4.07813e-08 4.07813e-08 4.07813e-08 2301.493189 4.07813e-08 7737.590578 8052.981799 60548.76282 1199.142809 19645.87196 4965.511859 [4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-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 63.48928482 4.07813e-08 160.7921437 442.3107615 340.6262586 4.07813e-08 1451.397147 4.07813e-08 1761.090323 112.7205627 1134.69413 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52.24962311 4.07813e-08 4.07813e-08 65.15475256 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6887.027575 4.07813e-08 32265.11076 4.07813e-08 testolic acid 25316.9641 21057.72345 30237.39939 33108.81933 42007.50095 39412.57542 34323.07653 22953.12047 25035.45407 1994.329176 2257.86425 496.7904888 2231.790933 338.4502503 998.5852237 117.7234241 410.5437607 2225.138531 35989.53881 51210.48988 30741.1642 40867.07674 68426.88888 58697.97236 47952.03061 38923.87279 50430.55494 1051.482729 1852.280526 514.6286028 470.4558126 2456.705565 1339.821205 2742.253824 0.967605588 654.2075058 23686.37091 45840.84672 27590.61868 44528.58832 43365.9625 58178.33667 56318.10034 36302.60539 54957.70242 46308.86242 33242.43029 39229.83824 27899.9137 26506.64255 4618.418202 35366.82051 1762.064643 35347.28615 1-a,24R,25-Trihydroxyvitamin D2 4.07813e-08 805.1693089 238.9081555 4.07813e-08 722.8468327 280.5500456 1231.8046 196.6711899 1891.696455 4.07813e-08 159.1149304 4.07813e-08 211.3669483 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 692.6653791 1398.937001 864.0112818 588.8531566 1562.179673 1314.886957 1554.148954 8540.541356 17263.74896 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1051.019518 4.07813e-08 865.6365076 993.38583 998.1124933 608.3016717 5861.120507 21282.44293 5334.34291 6211.527947 1248.652537 398.7055655 423.8570997 4.07813e-08 846.3607023 4.07813e-08 206.5205623 5-(sulfooxy)pentanoic acid 118838.5871 88133.01069 97041.88911 179887.2112 169081.7383 82123.31227 90762.48667 93382.68078 84013.33457 39118.24789 35413.98544 48572.8818 43096.25798 32513.62104 13578.25743 47014.36664 18400.07371 26350.71052 140646.6437 152453.3732 119548.6814 150032.8021 110321.3373 89910.14657 106528.9253 91280.14932 93538.07597 116978.8911 69264.96093 55562.85241 55228.41308 49652.34206 39197.41165 51103.10575 48582.25658 59422.73532 133781.7463 144765.1843 101400.8613 174424.0188 184440.8634 119069.5313 93458.30694 77968.04408 235563.6596 55201.58465 60209.31287 79276.96355 97950.58415 64240.34435 51815.47339 124852.3228 22373.32945 89649.78539 Glutarylglycine 101412.422 216046.6952 119667.9244 84058.01594 180771.4319 147377.8263 116980.2651 257596.7368 293868.2284 57767.93307 58540.56178 89422.03572 53755.45708 95359.71026 62420.3333 42306.74044 55571.19172 110949.8403 169811.4728 260657.8483 171092.7796 101142.2953 135670.6857 194259.2147 136610.4182 581711.7797 458134.4631 169981.5934 173908.2974 107516.7559 303373.8513 194603.9157 74541.23588 70026.51223 194036.0882 201879.9398 61605.00363 125650.5031 114255.2446 175695.1733 137510.029 150924.3564 156922.1704 603986.1298 183150.533 162374.5974 203160.7543 151024.5806 179849.9895 148672.0336 130633.234 172544.7578 178285.1848 151731.5181 Glyceryl 5-hydroxydecanoate 2091.316411 1534.879329 1786.723759 1360.932897 1621.197691 1550.018645 1355.626328 1164.087973 1239.614572 998.4354433 554.7721709 511.2550091 828.0826635 507.0379266 401.9334242 107.6820186 85.54153866 230.2332024 3678.567381 3043.633774 3354.545542 2947.432042 4031.337416 3068.845326 3266.728227 3789.789066 3917.276377 680.0809876 665.6436147 267.0692223 408.6887015 822.3816377 637.0859787 941.7832489 230.3402241 343.1416225 2301.793284 3230.539351 2118.247554 3116.156696 3150.192009 4119.736479 3137.649071 3663.727126 5268.582372 2101.911135 2130.809103 2194.158322 2117.862153 1885.29004 955.5744356 1866.540422 731.4820957 2314.343535 Linamarin 6651.726977 7992.011269 7831.928728 10246.96091 11306.85575 8873.883164 6487.205446 7488.244553 5868.836954 4126.507554 6307.141386 6445.928596 5645.587018 6162.200355 2991.282146 2581.849368 4013.254204 4559.622973 12285.67265 11329.13336 9662.986006 10845.75746 11189.3941 12223.088 11841.13784 12710.21826 11736.64905 2147.080767 3255.617741 13677.86046 3785.391514 6005.334019 3947.924725 6032.227289 3277.956394 19941.8747 8025.255213 9777.885683 8647.662576 11137.86099 10341.7693 12741.42538 11449.66062 12368.1281 16874.27732 9287.841314 8810.282229 7627.736514 9257.2731 8166.071494 4259.889314 7881.171796 6491.624346 8360.361231 3,4,5-trihydroxy-6-{[(2E)-3-(3-hydroxyphenyl)-2-methylprop-2-enoyl]oxy}oxane-2-carboxylic acid 199.192338 158.6384897 194.4854789 56.40803311 141.888016 4.07813e-08 4.07813e-08 71.81256238 161.091198 1777.776326 20238.22986 5329.335817 1440.880074 7904.506071 5898.587416 16777.51481 6837.594593 1902.182811 350.3934117 279.3428791 223.0543953 147.7122199 182.2850891 456.1295649 70.30704922 173.3220487 55.27964262 15051.06158 2079.436715 32651.40917 1712.731618 8515.196283 16875.0942 4590.324145 9346.203857 8870.523984 17.63145332 148.3961503 4.07813e-08 150.1854183 242.4210821 85.77888789 147.2060666 4.07813e-08 208.7962848 787.0006199 614.28225 186.9813333 218.030756 11.97017935 6186.06934 222.6159805 9100.972137 332.7055985 3,10-dihydroxydecanoic acid 14682.2499 9587.206474 10965.06367 12567.25809 10179.21654 8913.737523 13307.34038 7307.880907 7086.554912 2775.737668 3510.618645 2303.624292 3126.727759 3035.721552 2393.422655 6529.920202 3267.922191 3895.603846 12228.92749 7835.870148 8205.438857 12142.51612 8130.409316 8042.619383 7667.902608 16109.67265 5806.367761 4424.114347 3150.628745 4457.870783 2850.898409 3861.997173 5727.131988 3269.541984 5422.122548 3265.733852 15831.95079 8365.664588 7244.690777 13149.50042 9693.24111 11124.82548 7764.308533 14645.06772 7697.361152 5070.63175 5023.337351 7327.233351 5697.478871 9280.169488 2827.37255 7882.464264 1947.87021 7532.780316 Thromboxane B3 4.07813e-08 233.8422541 142.2721591 161.9580389 4.07813e-08 997.7402246 137.2823496 581.3721617 4.07813e-08 730.9668231 16585.09548 4.07813e-08 76.184129 4.07813e-08 829.7025846 47592.36799 4.07813e-08 155.0488782 643.8807363 1902.175548 518.2325549 1105.037603 1226.418569 1769.507342 820.0093418 607.8161178 911.9133466 1291.911352 81.31771107 8978.479133 4.07813e-08 19725.10178 14758.90243 4.07813e-08 8221.155644 735.7215573 154.5685404 573.0555697 260.1843183 82.43824715 2071.914795 1073.035638 1427.678201 627.1666208 1194.49778 317.2702546 323.4211431 4.07813e-08 449.8961384 419.5792552 861.5626318 532.3860428 46286.7408 589.4574923 Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->4)-b-D-galactosyl-(1->4)-b-D-glucuronide] 4.07813e-08 1436.356752 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1695.994172 3486.660497 2174889.8 1633210.552 1554682.414 1487085.099 1746028.808 1368222.218 796417.4849 1894778.814 2720732.574 4.07813e-08 4.07813e-08 4.07813e-08 437.6606082 4.07813e-08 4.07813e-08 422.2374693 4.07813e-08 4.07813e-08 1014661.896 1428543.124 1475813.243 1404549.544 1756545.617 1177359.205 1026919.628 1004535.983 1253320.793 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 554.5250096 513.4804408 4.07813e-08 439.7990601 1152958.62 10450.81744 2370019.722 10943.0719 5-hydroxyhexanoylglycine 1809.925744 5567.384587 3878.99977 8599.614978 10984.31543 855.3063561 2885.097257 1171.125883 956.6885768 5514.256736 8932.484451 21594.62188 5833.139519 13479.488 16023.34778 9733.560295 1846.083069 4789.487765 17981.47233 8794.013389 19599.05135 23278.00229 4680.198903 6484.563276 28306.16786 8576.416778 4127.308129 14793.03207 13654.05018 16056.37369 12392.04327 20742.21778 28452.98926 19147.37336 9268.120077 13642.99861 9452.863245 10713.57763 10907.54753 3915.811329 22262.72783 13091.74115 6548.434471 9416.876061 12906.77499 1361.471458 1460.390878 1954.58817 25171.67048 13177.47419 19331.8204 28817.8813 21627.57633 2258.614619 L-trans-alpha-Amino-2-carboxycyclopropaneacetic acid 1350.849479 2953.174585 1524.717148 1747.544173 1053.111262 2012.000047 1887.667639 2798.076817 2385.74947 17076.76026 12785.06637 13481.30007 18118.87146 11852.63478 13490.1286 6466.792811 17433.13619 23385.91754 4647.442607 7011.030966 3732.272392 3604.391217 6505.674475 5839.438987 5072.527221 7551.104371 4838.568314 25804.41794 18436.89103 15994.84694 15248.00889 27407.98578 16112.74707 19505.91542 10441.13863 15326.32464 5193.136378 5032.588933 2527.097402 4749.18204 4260.099476 5560.474448 4676.30585 6346.299252 6791.754908 5739.245116 4427.738728 4258.313224 5049.974958 5138.949123 26284.96926 4751.721819 25798.68666 4349.911981 Leucyl-Asparagine 21024.72213 28809.48447 15927.39345 23171.45374 9278.181941 16670.90045 25518.78792 32572.53365 20065.56995 10826.95631 8733.714957 5328.841366 9573.035527 3962.681506 9767.270932 6043.120365 8683.313054 5429.126422 5656.572845 6009.909919 14439.50792 4773.055629 5522.492654 4780.615913 5921.029249 9198.442319 6358.256986 5237.086326 8351.044907 4097.936627 9281.544251 6663.52074 6855.895462 10358.46233 10422.94783 5381.902382 10703.3689 10052.13735 13496.30865 10947.21407 4353.342291 4253.250857 4539.317378 8041.164967 6166.541153 5879.526803 14492.49597 6918.936098 13125.85485 27585.11796 5427.999819 6277.721504 9181.3562 5587.119435 Yohimbine 3034.354845 2841.649261 4349.977544 1589.757391 2089.554749 5577.970452 5953.178015 2579.119938 1974.818971 565.1474856 189.1574893 228.578679 440.0457378 164.317999 333.056935 4.07813e-08 4.07813e-08 700.5969661 10116.70556 10815.76626 8923.759697 3277.788448 18533.29033 18847.84658 9742.773205 10120.63749 13111.45173 316.5248236 438.8634818 649.8462028 327.3928511 735.6720793 334.4138475 627.0681153 401.6939828 322.8261362 4462.378187 7737.423267 4434.017321 13412.05242 5611.119415 10509.12068 18765.32598 10300.87655 7579.882344 13947.83422 6360.234593 7717.596711 2511.027609 3063.370267 743.1344892 4305.840059 326.7932563 7024.556439 Jasmonic acid 9860.907782 11640.39808 4566.414439 10044.98101 5755.523001 3985.400515 9651.127809 9386.795561 4394.076988 620.9848407 502.325209 536.7328317 463.1946158 1127.506634 187.0411482 561.9726365 79.31258963 945.2207935 2763.592312 2849.578919 2905.537333 2325.915546 3507.127917 2474.263093 3529.864524 3224.632415 2958.233181 461.7576903 250.8418358 521.7652138 823.9544774 506.8235312 502.8685649 316.3592248 196.7686322 522.9687429 4716.70285 3627.716765 3403.229024 2653.704136 3127.709877 2742.168987 2563.443764 3414.159102 4385.544359 3038.443333 3511.871733 4735.839685 5372.779745 11085.84447 443.0712624 3902.355189 111.5345964 2914.246376 Calystegine C1 391.2991948 340.7440544 164.7469497 197.4918777 159.6459289 273.0889224 833.7387478 362.0269985 185.429346 2759.157069 19827.80777 3780.991162 1111.885498 1270.013944 15869.79165 27961.25351 41040.20077 1105.207713 570.5012655 344.5926133 516.3348095 231.0108809 153.0166969 59.9055172 304.8451309 744.9217718 538.9713634 59841.43572 9814.037534 20585.75288 15214.04479 35288.63954 20393.13509 10163.6181 24653.29054 14521.67165 584.6491121 216.7606844 96.29710572 157.3329972 194.0712179 372.9912187 150.1563144 1067.46007 541.4614738 149.6500586 115.2434527 321.5852212 541.9211866 945.5016733 7232.91909 452.3020118 22793.70687 1140.478728 ({4-[2-(2,4-dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]-2-methylbut-2-en-1-yl}oxy)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 31284.17342 25100.40053 3588.503663 44191.16316 15757.17625 5842.369151 14125.47154 27327.49033 9681.697751 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5506.55455 4889.709845 42650.20197 3319.091657 4970.618577 4803.146085 25777.51373 22993.41763 34953.61249 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95.7063079 9266.483814 4.07813e-08 31268.65321 4.07813e-08 cis-9,10-Epoxystearic acid 22055.74194 42158.5653 211981.0653 43189.69622 33764.71182 23389.08679 7975.933454 29845.23204 34775.439 562501.8586 559991.0734 194677.2533 538919.6081 287572.1753 116454.9376 781021.8161 429035.2021 178692.9486 56582.12491 65484.10673 40717.57418 26399.80149 11814.9381 24561.90357 10366.09581 150780.2287 8115.789742 86010.60171 198038.7244 526676.2712 83497.66702 269736.8195 437077.9481 57889.39957 606451.6766 131058.4224 9090.295684 26223.15266 35864.50615 17175.06243 16706.74041 6939.883641 19496.40199 118282.0461 33451.96834 15163.89906 65593.08618 129130.5612 13389.80795 58377.05789 75528.43241 82901.70002 333826.1373 22069.51064 3-methyl-dodecanedioic acid 40047.13798 36703.38411 44784.73856 48374.58442 57822.19194 42675.22175 40099.98712 32553.25841 34040.26362 9220.756923 8231.799808 7174.23839 9681.77902 6813.971863 4682.598134 2952.316062 1729.463111 6557.671682 70073.78042 68400.9678 71038.66622 63861.6853 75863.52139 63445.29793 60583.2972 58589.44026 66894.00591 5123.78666 6079.061318 6770.840946 4945.683036 7545.284278 6427.521937 8668.193065 4185.846789 10120.04662 40013.83494 55753.61027 46883.08978 57059.83382 68970.48206 70827.99718 61180.24033 60925.28708 85436.05028 60745.59107 45587.83585 50250.14679 36343.32384 38853.16824 7884.147945 46957.08042 5902.381095 43970.93397 Aldosine 6413.629709 4551.025794 5247.589608 3565.021192 4215.900754 4614.204203 6178.515971 4187.671172 4849.639954 1707.650425 1443.651955 865.4061365 1744.364914 537.4712939 867.894432 446.8573993 53.52610105 722.5526963 23341.29744 22870.93463 18833.28363 17477.34591 24390.60112 23637.09269 19155.61081 24450.73004 24691.50558 1736.454486 1983.511091 1126.214132 2291.680017 2249.851171 1680.589466 2139.153051 653.4091586 684.5444113 12079.24585 17183.68916 16680.56018 19006.07759 20375.72092 23137.0662 22033.57279 24554.74175 31771.83284 16795.37356 13859.68758 16122.54381 12499.46882 11077.5279 1925.9894 14680.58749 1806.307555 17388.79673 Ketobemidone 7185.93173 4721.262813 3184.551208 1757.544415 1517.424944 4873.898558 5034.838625 12338.73798 9541.399051 3684.564035 1582.95853 816.6085748 4098.829321 483.2129621 1244.005791 4.07813e-08 2805.276094 2967.97281 4846.509118 5541.769973 3702.402219 6030.203898 4901.539929 4735.686981 3939.416054 4463.2007 4194.989105 1299.359865 814.4468996 623.8091771 743.2259089 224.6463456 510.850071 1408.381296 489.2538904 472.2387803 3688.960518 4020.342516 3504.302952 4265.731459 5409.4845 4094.858206 4087.458103 4031.118549 6559.671401 3227.557307 2630.686341 3740.8441 2052.507704 2433.900914 1228.363139 3169.947522 593.5936845 2793.342009 Valyl-Threonine 37765.67943 50287.34796 20988.28299 26796.61401 14416.84196 17963.21495 44364.31219 38463.5225 62067.78359 3981.461294 3938.002903 3875.110262 3277.587496 1812.445633 5077.229021 4015.638667 3719.895603 2227.233863 4123.64969 5157.358201 11343.30307 3724.700513 4984.121154 5252.752517 6300.235933 5685.194567 7318.780024 3510.959156 2420.128875 1031.793572 2729.241696 1580.368606 1798.024094 2881.135609 6221.55982 2381.789803 9788.756292 13330.09091 12760.36061 11034.6794 7050.848129 5305.151631 6240.926832 5907.655762 5451.371013 4617.343843 13237.9981 8848.057996 20349.71866 25078.75438 1551.126536 9116.083893 3917.719122 9073.820774 N-gamma-L-Glutamyl-D-alanine 4551.840127 4038.785131 3013.484348 2215.21064 2648.211052 2855.376679 3361.586639 3396.073084 3251.569927 5050.857094 16161.50355 2403.739357 4374.715972 2505.469112 3159.889578 9077.304299 1628.409209 3447.913062 3194.648495 3414.204834 3273.803936 2733.200808 3586.750021 3264.031819 3237.322828 3847.873372 3751.707957 2981.859384 2707.406384 2901.128285 1765.534971 2242.884269 2802.645978 4383.087937 1715.609873 1953.219779 3071.627786 3015.378775 2498.812837 3027.159895 2920.66452 3359.058777 3187.228384 3315.819312 5103.863565 2566.225138 2230.752304 2534.449854 2522.606193 2885.37312 3075.35103 2657.414699 3444.578069 2672.072446 Auxin b 17953.40974 15776.84351 21258.43652 16771.98854 22320.73949 33973.72222 22487.32969 28260.88849 42495.52209 2572.047793 1594.945158 883.5335228 931.0832602 863.5334948 700.955701 1247.965407 1000.366753 903.1242863 65854.90907 65580.07818 36930.16762 22883.84333 60376.29087 79878.55941 37430.46243 55062.81211 58443.81226 171.3821688 1137.431239 1446.976994 1951.592597 1051.179291 1021.809211 873.6008406 993.4394889 2033.886296 13446.69987 38810.77586 26274.54108 32845.87813 35794.35792 29172.41396 78380.34112 48955.86343 63078.66915 72403.44121 34165.60054 32967.22419 14959.9274 9062.508485 985.6739523 27353.94251 2818.455232 42406.46678 Pyridine N-oxide glucuronide 3391.63884 3153.11196 1616.913996 1974.923587 61.41845756 1237.573097 1905.829689 3973.669985 7138.049423 5975.485184 4975.246406 8552.541338 6129.207649 5437.777712 9902.311079 9303.018027 10574.72173 25052.1002 981.2567433 197.6284343 249.3060754 231.898735 4.07813e-08 317.2128139 630.1521738 946.4842417 262.5452978 22006.97889 10406.0772 9981.110642 17256.57011 9012.045702 13522.94618 11811.60176 10755.3253 8520.829598 5646.955596 359.4932564 282.0867268 305.1755941 304.4541642 60.65682375 479.3648723 876.837736 249.9060651 170.6255824 2712.908927 1870.175777 2073.736373 2836.973982 5440.873668 2106.062506 12530.75926 684.5994439 1,5-Dibutyl methyl hydroxycitrate 665.8313879 246.1228994 265.8860373 94.74994243 1200.668967 849.9305853 981.8021442 246.0635627 575.2115877 3316.909216 16183.41626 450.2744406 3418.731622 665.8238024 12567.42288 104896.5725 31096.10786 825.8413501 1220.00846 1512.650806 1250.897497 820.673129 2346.057455 1287.101578 1031.7114 1400.702213 1602.124302 4374.381066 320.4013901 5103.346665 85.99652635 24102.33748 5426.717602 1268.244717 1523.89458 1187.85249 389.9117083 1120.982114 544.4980275 800.6530127 503.4075663 1819.366388 1334.636401 1374.499802 961.6273109 695.8598214 1294.91766 1063.647272 780.3741924 1393.049348 638.5242313 888.6319884 10969.38325 427.4153272 {[1-(4-methoxyphenyl)-4-methylpent-1-en-3-yl]oxy}sulfonic acid 3778.004865 8015.062719 1125.384427 5281.873433 6295.410763 2421.888551 2890.489474 6347.546258 7074.355775 9773.249748 6621.147286 5408.996451 9153.891591 7672.494658 6185.57122 6028.848529 10419.58292 26240.20719 8034.021405 13545.08888 2491.780863 7197.283412 675.9199563 1602.248081 10411.42661 5025.550257 203.4063268 6514.691183 6581.874024 9578.030684 6250.665456 10367.61516 5191.826433 12994.79922 3118.803375 19808.37049 15444.54321 5708.97506 2771.072156 1631.025063 5717.535412 4974.211498 1073.150804 3622.226 2663.728499 2373.475095 8161.108352 12303.16708 10381.03936 21208.46727 40539.20315 19020.36614 5132.849039 7251.333571 Hydroxynalidixic acid 1449.533195 1949.939386 2267.653992 2660.931065 2184.228507 614.4286814 1455.904492 1959.793746 870.3553111 290.056159 313.0638437 439.0699214 149.5320226 429.9886961 458.977061 464.3157931 105.5293404 350.0405347 2080.340403 2308.31569 2245.259473 2996.414663 6307.877375 4009.45594 3090.580976 10229.97743 12434.76366 67.25264108 246.0264621 342.1403133 82.63471866 264.4611209 663.680466 299.8568773 206.0117038 366.061094 1527.421442 1899.746127 2547.727463 2995.862896 3055.560573 4129.432221 3947.561698 9996.097174 5021.899133 2326.078518 2112.714076 1049.322434 1813.68456 1338.306878 327.330496 1287.478384 274.7400835 1973.366653 2-Isopropyl-3,5-dimethoxy-6-methylpyrazine 3478.426788 3623.284716 2434.565317 2466.083597 2074.165688 2089.425962 2449.746142 3375.262957 2421.825662 7124.641673 39604.57814 3474.233563 7202.850604 4848.53043 5574.729177 37074.07714 5323.86185 7156.115468 2179.143027 1651.090128 2389.623911 1541.379921 1569.480684 1702.248913 1878.073691 3222.39864 2282.876222 4778.822475 5583.533844 8776.206394 3672.333953 4226.962172 3704.882983 10640.09238 4223.505853 3662.794528 3274.722137 2237.922479 2181.010421 1584.940818 1701.343684 2146.558376 1506.492154 2920.008787 2571.146687 1070.833752 2369.053708 1621.777736 2276.971153 2183.622015 4779.254595 1764.302175 7257.799661 1448.125874 14-hydroxy-12-tetradecenoic acid 29858.90973 18263.38463 35304.04701 28678.76767 27090.78419 6735.137702 9323.474625 26783.81769 57851.99521 4.07813e-08 4.07813e-08 69.57384185 4.07813e-08 4.07813e-08 112.9601584 4.07813e-08 4.07813e-08 4.07813e-08 11404.91276 22649.41843 47324.35931 26303.70789 6446.835482 3126.667403 147495.9556 220427.8424 65763.03762 221.5890011 4.07813e-08 4.07813e-08 90.67076879 4.07813e-08 4.07813e-08 64.65001959 4.07813e-08 4.07813e-08 34723.35515 54146.85548 56268.29938 46483.83293 20762.06891 9908.853639 4325.075954 216816.7553 205146.1112 4805.002515 4529.082412 7617.183342 17997.87031 20268.16626 4.07813e-08 12493.03879 4.07813e-08 14309.77011 2,3-Dinor-TXB2 1181.976624 538.2874419 1048.757763 2026.842761 1607.289645 2598.880243 1317.168624 1326.313403 1220.747045 75.56608507 4.07813e-08 4.07813e-08 187.1512316 62.49683073 84.93499427 4.07813e-08 96.76739549 200.292949 3937.412534 3025.295581 2233.506051 1575.127316 3434.632922 4075.822128 2431.22204 3041.340242 4008.337566 98.00801613 4.07813e-08 4.07813e-08 110.553349 96.6480166 4.07813e-08 94.72032539 164.1684962 4.07813e-08 1035.415772 1039.224258 1217.929843 1794.568988 3149.304944 4264.978474 3149.039161 3359.709171 5070.185599 1883.076539 4164.555434 1925.37275 5097.078648 1321.466401 3501.27115 917.5966603 303749.3224 18421.16465 (S)-Homostachydrine 1003.602633 628.4848415 363.8779653 104.3706579 164.5318816 230.324684 1204.830247 784.0574543 683.4385054 5581.874477 16217.60621 8146.475549 4144.528826 2668.005322 16816.04993 39096.95035 26371.5252 3640.946834 209.727067 328.2889381 372.815674 4.07813e-08 383.2348211 458.5124315 634.4194947 2143.123768 582.1453928 54604.82543 18509.20481 16265.49559 18947.48478 15498.38665 28865.35509 24671.30508 30907.47821 17844.91572 2051.295419 227.849548 76.53178474 714.6683274 298.0602267 313.9849655 221.6876711 2518.335548 720.3875202 450.3576317 259.2331919 568.8860527 1010.100252 1261.258725 11207.29481 818.3935328 17950.43618 1194.75668 3-p-Coumaroyl-1,5-quinolactone 57253.67041 37357.03842 56131.98986 60179.72469 62239.81505 67559.51023 58740.07777 57143.26406 49127.57442 14600.4546 8417.248683 3868.558778 13841.53259 2789.236399 28167.40087 1862.195213 28644.21536 63509.19362 88438.44209 44497.57739 83639.41036 74366.66636 48683.74353 88386.33362 69376.29796 83801.68715 65825.11617 16650.52517 15269.07743 3208.118223 12444.20654 15551.66565 9024.982869 19204.6373 3047.75805 3068.859498 46095.11566 54873.37479 67036.87652 66924.78303 70894.8828 68625.79256 78738.07883 79017.25468 106294.9681 47907.46091 47005.87369 47203.05567 58296.35771 49162.87876 21208.52431 72870.54628 14933.57649 51466.82795 3-phenyl-3,4-dihydro-2H-1-benzopyran-4,7-diol 3150.123614 1921.228036 4801.503197 5810.557332 8486.838618 6094.901782 4313.501775 3107.354937 3794.900211 55.90984763 78.13852643 142.8718481 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 581.8141307 4.07813e-08 7642.214606 6106.138398 5268.300057 3811.232364 8344.628419 7223.397881 5957.719243 8592.20644 8860.134714 0.020557112 98.03813391 76.61229783 4.07813e-08 4.07813e-08 4.07813e-08 50.45502627 240.7266593 1810.2952 1708.0244 5083.556537 4246.807767 5715.176928 5033.102636 5648.061215 7570.989724 8183.239628 9689.991573 8277.68392 5178.5028 5057.319816 3278.927284 2616.430324 190.5464719 4788.297759 162.6062223 5439.614051 4-Hydroxycyclohexylcarboxylic acid 21797.94712 23997.91025 22165.74992 24533.74668 27308.88482 26098.26978 31595.2381 12675.72573 18070.93902 3904.019892 3818.455464 2813.936564 4152.697195 2206.57188 2919.484599 759.0207823 1926.34499 4982.702013 35534.61377 39379.28419 39978.41424 39883.81285 52827.95386 37004.6924 45778.59621 24300.21958 27042.60826 1757.716575 3140.723972 3555.705689 2419.677009 3119.432156 3173.177904 2638.198077 1176.188532 3866.157482 20977.99732 34725.17531 32154.78149 32067.23601 43272.1059 53414.99222 35075.24241 24160.42318 33011.43812 38046.93795 26669.37816 42666.8434 20840.79229 21821.20057 4013.283021 30716.21309 2648.956426 20002.9867 Ptilosteroid A 2161.633395 21625.33694 5943.764692 11114.69916 3719.534601 15163.45601 25203.0697 365.5157049 28501.50709 2237.061633 2173.508165 3336.419195 2155.032968 2757.227428 2805.353743 1346.487457 4049.379931 6225.007464 5130.988337 5174.604781 4259.644452 3798.574114 6726.082357 5483.351319 3858.066723 6294.216834 4689.399914 1237.542376 2490.584526 11539.2849 1357.102041 6074.173914 2476.022375 3986.935241 1136.300231 10940.48044 6582.084897 5274.060742 2887.558682 5747.113339 3728.036042 4673.807824 5527.730476 5244.481279 7206.235105 3881.258024 7942.611405 9348.822459 5848.98171 10797.12503 10258.78166 13837.06311 2837.995285 2944.33592 17-hydroxy-heptadecanoic acid 123614.2113 123678.9858 203390.8321 300415.2035 334560.0144 125543.9024 62272.14261 263153.123 119627.6632 76850.56408 134318.8012 193814.9257 64980.65912 250545.7313 92829.67777 942890.2121 566582.5889 174834.3086 143571.057 63158.46145 189977.7332 108006.4282 251377.3647 122438.6119 75991.70506 138131.6741 80074.74653 207752.8766 98143.32239 256221.9488 63196.61886 80679.57098 74921.3299 85843.19825 521664.0583 197452.1834 78352.17197 120773.4576 146002.6598 206293.1976 148474.0906 135967.37 127292.5188 119278.3951 108744.2159 30549.32321 74701.78537 114997.8435 102554.4442 84308.26161 20194.2044 128915.2279 81188.33905 115882.0744 Armexifolin 27910.91822 10100.66686 2566.375486 11879.95376 2834.28816 5205.180645 3760.00142 28134.77564 4555.895948 4.07813e-08 4.07813e-08 6120.922633 113.9836055 7028.909809 5382.733903 540.9543345 4.07813e-08 28142.37056 31481.74047 11383.60813 3020.379318 24746.28059 5562.536509 3730.594788 2709.156507 5217.137564 11471.56793 4.07813e-08 4.07813e-08 10520.01297 4.07813e-08 17818.30175 5088.388109 1504.559229 4.07813e-08 21198.91549 21096.32852 8392.788463 1922.774147 17439.96432 27807.39088 4022.563502 3161.19521 3875.152707 2830.183693 3244.414484 6195.625376 43143.93692 3635.1357 12604.14992 2303.295108 13090.41859 4.07813e-08 18389.05702 12-Ketodeoxycholic acid 838247.0039 552771.5408 1556443.122 564159.3156 855426.363 3183697.527 1199005.526 1041763.575 1533808.336 2363.382302 28.69126175 2133.435809 398.9491213 3490.887326 4491.894418 14.39090356 4515.575178 3503.528964 2553687.671 4897015.822 3427715.158 4484220.082 7727909.654 9257871.818 4463497.775 1318471.148 1320863.745 6704.078482 2581.557256 807.7729598 15834.2806 3416.017214 679.0818085 27065.3447 1558.069188 1643.967759 1010059.23 2868980.898 2360043.09 3908540.118 4168341.567 5471703.31 8081369.275 1278408.587 1881236.992 6866841.709 3344710.593 4124285.573 1569548.5 1106872.187 638850.9306 2179983.376 38675.35144 2047935.141 Prolyl-Tyrosine 28099.24604 36390.71719 19669.04767 21445.99559 14734.30404 12984.99222 29105.93125 37919.6411 53534.4374 17974.79838 8958.379401 18775.52773 18320.91533 6312.458239 20694.68588 9173.874433 6071.291221 27234.89595 2419.998738 2968.755943 6908.026011 2615.482264 3912.207957 4937.824029 5922.505971 5490.333062 7713.409912 35082.41768 15635.09754 3660.162871 30686.73718 4918.774916 11129.7001 39589.95786 15481.87833 7863.284684 11245.27826 7961.470654 11186.52311 10603.01291 5177.687064 5503.785938 5420.075691 8432.595549 5372.000526 5979.851623 11287.66648 10503.02429 21253.69259 31054.45377 17619.18385 7262.982502 22789.74917 9190.180732 Cotinine N-oxide 4118.66991 2005.930527 2560.926403 1881.088832 1351.992617 4155.288993 4363.846305 3513.069199 3128.674326 4.07813e-08 0.085034056 4.07813e-08 4.07813e-08 4.07813e-08 42.69004374 4.07813e-08 4.07813e-08 313.1066594 4814.776586 6571.878344 2308.387011 3830.509739 7032.806594 7457.937815 5557.639319 3554.671948 5207.813902 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.455135 4.07813e-08 81.40803763 4.07813e-08 4.07813e-08 2696.014667 4379.153723 2201.525703 4340.075686 4755.056206 4450.783238 6847.958835 3466.091995 5264.538232 5921.076498 4507.161649 3771.205047 2339.421404 1629.430843 4.07813e-08 2854.88148 0.179526922 5612.216661 Jasmolone glucoside 1404.845392 10773.65697 1488.74706 4959.072728 1801.885456 1418.319165 8844.303164 8869.679513 5517.027536 41304.70311 38249.79267 14564.92297 37415.9734 10138.67974 10962.82062 10594.77196 8640.048216 10932.58363 1772.188987 1839.551132 2341.505776 908.4586068 1929.175278 1703.3189 2020.236144 2191.072136 3008.775278 11533.21559 13266.49298 20111.08417 6117.290938 6775.699413 9176.441856 80240.85163 7031.106858 6560.32052 1258.937993 1518.419553 1683.596494 802.4541034 2404.832294 2422.337878 1102.741535 2540.556738 2156.336107 500.4263394 2917.612124 2795.934287 4937.915473 8255.940555 5257.277132 5097.609237 15172.78758 4869.885158 Ipomeatetrahydrofuran 60571.804 60033.98159 72129.93022 77250.42482 68825.57482 75731.95891 63961.40352 42217.66297 55253.25247 27551.2945 29472.76915 16601.2854 32894.64831 17602.3389 12585.60482 8105.172206 7487.711863 9454.580273 94928.24334 74664.39992 72553.96578 79363.94268 85498.46733 102683.6462 78594.37346 61647.15696 46831.28366 6947.675926 23528.58427 12971.42041 6218.3221 17734.1932 18113.99949 13958.04269 6547.297682 9626.701953 65993.46385 88105.40331 82022.12278 63798.51833 77124.40112 95609.52449 98224.3099 58458.12096 90225.94801 47272.78394 45750.81501 63741.80458 50323.82593 46621.46224 13586.76169 73506.49708 16288.63633 56974.0829 2-methyl-tridecanedioic acid 124173.1042 69974.17785 82210.87437 86231.37055 91029.95056 112763.269 107545.6301 123431.5062 106359.9794 1503.390859 1791.917076 1268.583553 1146.944131 1602.365007 1046.616985 1061.558571 933.0926255 1451.464286 143606.5892 166565.4598 114951.5618 116161.0149 105740.2602 180561.6292 112206.7325 73135.6464 120703.381 1570.848248 1021.847642 1798.411024 2120.585285 1366.763801 1510.451536 1275.501766 1391.682911 2332.225801 79124.84346 142533.3893 103132.0741 125319.6706 132902.3942 106012.9851 180359.2745 71132.65959 105559.3866 108218.4177 116138.5371 139424.4436 98414.10958 62169.8199 1604.799956 132783.6721 1576.658558 152067.6122 3-Keto-b-D-galactose 4425.524409 2699.900712 5495.966352 8112.439655 16179.86163 9488.879667 6209.085784 7719.605526 8448.904913 53780.10162 60133.12813 71133.07471 53461.97549 46695.22345 49968.80207 52770.45308 18486.02105 84686.27784 6304.564951 4938.770927 3439.891584 6819.17364 10937.94197 6864.43113 9308.699829 6226.682453 11628.44187 82535.9616 57940.0836 86651.33847 32050.03305 61184.88754 62079.01809 87181.96242 29561.33536 100473.7154 3449.304393 6857.385333 3333.338693 8279.519784 6675.679168 6222.384481 8355.950711 6795.47282 1506.647892 9777.492658 7985.853147 5432.111705 8956.788663 15155.5825 76284.30993 9557.659664 94412.73558 7375.7999 Guanadrel Sulfate 34731.38654 38790.13558 21711.90376 41814.97845 20699.31224 21059.22737 37610.08114 41228.45057 21523.55309 9256.806927 8323.607877 5538.933073 8847.505161 4025.438694 8521.890069 6267.84771 9389.839351 5419.003784 5466.407861 6008.074358 17349.78782 7305.763497 8594.26151 6494.824734 9862.137682 6791.473264 8198.162245 5232.580438 7868.657732 4367.349475 7926.943535 6084.81894 6297.857952 7205.932417 7578.478449 5370.85907 20399.76906 14509.34933 19887.97381 15521.09419 8617.112237 6828.936897 6108.553437 5613.582902 7674.272033 5904.05032 12815.6444 8083.186658 18908.69434 39764.93326 4285.077462 7063.44732 7251.896016 4933.571227 Hydroxyprolyl-Proline 69625.50684 53817.28173 34142.59472 45365.75714 26629.30327 24403.16373 57606.41039 57816.17617 59776.97543 30012.3727 23768.7397 15666.01997 30442.98321 12819.99112 19547.15501 9115.807855 13960.5514 29346.44417 12454.31902 14673.55654 12034.89678 10024.28442 13305.08399 12822.08898 15551.04098 12652.82324 21169.65056 18414.67197 21306.54032 13289.2462 18865.16656 22585.48295 17015.02869 25684.85461 9019.069533 14226.91873 13293.65372 19330.42588 19680.12251 22033.71238 14076.41214 13358.96543 14108.74245 13790.98599 13298.19496 14071.92759 9692.353298 17674.77795 24470.33338 31154.95689 24016.04426 20633.20524 19965.96349 22176.27623 Talaromycin A 194530.3498 122397.7313 173953.6119 129075.7729 183120.0112 191186.2075 173045.6778 213407.8762 166562.1089 2496.458962 2012.253482 2219.439047 2094.034222 2072.100148 1487.68633 2057.784425 922.6622223 2689.291729 334722.4941 325439.96 301152.1245 291787.4254 337964.9675 325066.7477 297291.705 355706.6808 357380.1524 2962.585584 2484.538451 1353.571361 2615.749661 2163.893567 2334.299914 2407.601751 1813.958398 2474.104284 191503.6459 261421.2889 229340.2613 274086.2179 309309.6958 321734.8604 324474.8912 351774.7092 439216.5976 265929.0254 203014.3021 232757.5519 190008.1248 168124.1678 2105.07682 215659.7704 2574.419915 255456.7321 2-methyl-hexadecanedioic acid 265340.3913 210167.8647 250847.248 238826.1704 285134.9702 241332.9458 202211.2851 178273.443 176959.5072 111597.6428 129386.8352 73493.39838 117883.7261 73827.78938 142931.0834 56481.64853 33893.65355 52026.96242 375774.0513 277584.1606 283657.3807 307287.9844 438191.6961 386344.0002 275129.8317 275785.993 275861.845 27747.86783 65114.81309 74141.95022 37561.23184 72391.12317 69066.32348 60527.96504 34853.59867 61555.61971 202382.1697 267440.3179 226382.6549 263204.4597 322072.9204 393678.4826 367678.471 275160.8995 575076.9757 151042.5737 148557.8903 166178.1136 167260.7466 154606.4636 51607.26911 204395.0916 53068.58607 290664.1388 3-Hydroxyphenyl-valeric acid 11205.47301 4156.780602 15145.44079 19467.72709 18684.67001 20699.39769 13108.35756 17392.20122 15970.69122 4.07813e-08 52.50348602 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.788089851 4.07813e-08 4.07813e-08 10998.82157 9035.319436 13515.3074 7827.016186 13598.39095 10297.48101 6438.51528 5213.408876 8479.35017 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 84.09017972 38.32665061 4.07813e-08 4232.501007 10910.29711 12065.64859 11087.97912 9262.040527 11063.42796 10130.96348 4218.119656 5540.686106 14541.88946 13712.65672 18065.88998 9204.560165 9762.509349 4.07813e-08 16528.87334 4.07813e-08 19217.97181 N-palmitoyl phenylalanine 1026.59054 3644.051295 2904.266336 787.0971071 1325.548002 8770.634044 5729.179482 13001.11502 16779.59746 4930.49881 15003.46231 22203.05568 3246.896706 44359.6691 28849.45078 57952.58727 44562.33339 12272.23586 1480.878139 15670.7403 6241.460775 8271.559775 3452.251339 13376.46756 3927.429785 444.569391 4.07813e-08 38551.05474 11940.92358 2880.007378 10343.38005 5586.300038 5698.920247 26563.0996 30131.11326 15540.21364 2136.832513 2748.352112 2822.00571 9423.065865 11120.97338 1637.153561 19378.30329 1374.688013 1005.293268 46062.81476 24155.33485 28979.59745 13789.38768 14051.27593 119856.4581 16775.7054 14164.29019 10295.4339 12-hydroxyheptadecanoic acid 507485.2454 464696.1363 671327.5346 869692.4951 353233.34 233378.158 131720.7363 209260.562 382124.3321 263.223729 320.4316165 154.4084788 165.7311742 119.3065498 498.4727613 724.7141607 447.2410308 62.81316435 497354.3548 54040.05494 438830.7432 180209.0395 566699.9956 687140.1833 172106.255 80655.0347 57891.48967 40.1128566 51.73358676 122.722005 87.85230115 50.98620685 173.4376818 198.6249659 517.6722851 46.05563092 118037.9994 196219.6974 353551.0954 278296.0965 163586.3752 360633.7909 717403.6081 54237.41499 375487.2285 4048.016448 10038.66448 71221.19517 244058.9711 265490.8297 61.60527292 297723.0567 100.9578167 635610.4064 Ambrettolic acid 1351.407175 1874.79609 1917.788537 2699.673664 2840.20374 2213.359911 1451.408474 1237.078067 1899.246103 22462.9218 32088.74611 2865.218865 13871.81227 3888.434844 2003.566307 6041.714153 4585.334607 3129.914087 2010.70387 6458.050928 5060.151799 1993.411216 3500.742751 2992.437611 2473.866093 1525.852669 1762.82392 4192.179531 6080.09527 3409.836584 8438.865381 1805.074394 6538.014031 6791.670355 12003.79402 4449.377499 1023.803512 2928.573667 2209.049089 1829.700046 1512.871424 1721.225402 1976.669537 1224.93512 2015.194998 4887.101144 6677.816903 1599.137373 2012.953357 2885.598427 1329.987387 1284.158069 13941.38295 2619.195253 Coniferyl alcohol 2687.56571 2770.961183 3955.286362 5647.145509 3006.27644 2079.254552 2216.439118 4256.51447 4070.256875 2616.112224 451.5803495 3803.006128 2556.23536 7114.839067 1675.197447 861.3647876 567.8492062 5015.001288 2672.06774 2016.617667 2058.060819 2960.130644 2271.162852 1516.239635 2558.393519 1656.222787 2210.443024 431.4545861 2592.771741 2119.527842 1716.564772 685.377611 410.9264988 2473.242045 555.0667853 10257.19043 3457.710133 1857.776323 2148.166045 2647.270663 2787.586832 2847.883797 1606.976018 1646.490145 2484.158762 1204.760671 1544.132714 2288.211294 2856.086154 3564.552386 2949.56399 2945.090212 834.44217 2678.665595 3,4-Dihydroxymandelic acid 81475.17399 75191.12041 79718.33899 79515.83872 85645.97816 75778.02848 72854.55784 75661.52836 73051.4589 59594.61292 55900.64337 56143.00338 54613.06461 70043.78452 50852.37624 69320.78441 50527.91406 65668.88619 53717.35563 57029.82617 54009.48637 59551.30818 60067.23053 54428.25574 59941.38849 65139.33128 61297.22279 53877.93431 65570.38616 60616.42206 70077.19908 53002.07462 58013.25946 53087.09035 61594.59902 71269.69167 64718.31753 61386.9576 61448.87915 52399.04261 53157.48414 59504.56062 59659.68417 66597.76985 64673.79175 67274.47046 62000.29364 62431.99407 63121.13203 60085.81327 47429.51295 60474.55445 60679.45044 75662.73465 Shikimic acid 7964.809637 9484.330947 9830.038598 10923.36151 11984.3048 10876.2762 9978.221013 9025.339278 7051.834677 52760.69254 40816.6797 18128.409 50586.1899 16517.55527 34013.76885 10593.53422 13212.84074 26116.18298 10380.8134 9435.509799 10602.98739 9780.656106 14265.36271 10786.79481 10396.02362 12245.63968 13252.8559 40950.31553 40822.96436 17020.32884 31592.15719 19508.93469 27524.16497 30363.99615 18161.86122 17360.53433 9045.723346 13935.54069 9580.693032 12192.74656 10015.3134 12961.42488 10614.52188 14344.01895 13438.79453 10504.70691 9500.293699 8139.26332 10793.34262 12368.87458 41213.35857 11320.64495 43087.35952 12690.5309 N-Acetylisoleucine 2308.689632 9370.513186 3089.022005 3023.38154 2809.950558 3221.921681 5110.327764 4502.670702 3167.175283 76.63342769 169.8085295 180.3827441 125.1176464 114.517439 143.7956844 4.07813e-08 67.85060469 258.0259456 8001.991794 9300.821941 12731.8838 3880.615261 7907.75752 8647.207407 11927.13447 17430.23796 12480.74099 469.3948277 232.3174066 359.3419439 329.8305304 564.2582306 388.2801597 401.9270948 119.2031142 485.0810426 6464.629886 5869.641056 5918.814114 8238.498582 4480.730923 7570.308989 8447.060689 17039.22473 6907.609953 11908.7956 5940.555211 6576.131273 13570.31386 36516.06941 755.8284591 3880.32928 247.8488538 5450.149014 Crustecdysone 24987.95994 15881.79098 27474.05172 16096.83265 14403.22931 23125.95684 28816.54198 32932.57587 21246.25935 4999.125409 5585.470329 52541.41135 5249.423633 50779.02128 50764.23978 9572.320549 15749.24727 80174.91473 23843.97727 26933.93838 38521.10969 35416.08799 18420.91708 19579.79759 33649.017 7195.514816 10223.17602 12721.69084 17016.30236 4016.762698 4215.419977 5232.197099 9205.045697 11031.12368 848.1576746 7998.521881 27074.77565 16600.47281 23131.23259 45836.60663 32038.01912 26536.39933 16224.09433 7097.454719 10638.36345 39018.51273 43653.08164 41740.21543 28445.671 20878.33067 24428.56589 24321.20434 2317.963067 22675.32826 24-Nor-5beta-chol-22-ene-3alpha,12alpha-diol 49848.29306 148381.4071 296538.0069 228082.9927 305159.7307 537274.8268 356363.2845 322812.3956 298190.6479 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1068.745746 447457.9708 318193.5243 456815.2339 285371.7032 354810.1534 285680.1702 273587.3567 148332.1415 76933.88285 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2955.239856 355748.5457 103547.8949 336582.1365 300535.916 319357.1067 248545.4285 248269.4043 118351.4874 52165.13938 1181128.868 625661.3939 467787.6601 284104.3347 134683.5943 117378.3484 492491.1011 11039.376 336077.109 N-butanoyl-lhomoserine lactone 15557.98033 17317.89717 24595.62798 16550.62388 13992.30931 48375.99932 24806.03749 74728.75245 98914.88618 4.07813e-08 4.07813e-08 4.07813e-08 36.02538759 4.07813e-08 34.4963841 4.07813e-08 4.07813e-08 4.07813e-08 7787.676167 7791.788098 10191.23176 2481.59242 15033.7771 29781.68917 7451.76381 3231.481143 26732.6988 28.86540089 4.07813e-08 33.89230669 4.07813e-08 4.07813e-08 126.2470051 137.1241586 4.07813e-08 4.07813e-08 1317.837792 22487.05126 32301.61963 25963.24811 9564.69981 7521.692536 51630.08907 9469.912385 1498.25882 35072.58268 17627.19037 50861.2976 29333.71243 36148.03981 78.82238876 52255.38711 32.81718754 49272.11945 Butyl 3-O-beta-D-glucopyranosyl-butanoate 19334.39787 23583.81995 22622.14804 24691.79506 28845.5983 20195.19879 27330.0473 11255.34147 18130.61226 7284.682489 6247.094407 5823.980149 7204.702834 4850.384882 5860.102276 1949.000543 2094.69995 5713.99582 37136.3486 37769.55349 44186.97113 37801.39072 54974.55805 35530.60113 42095.41129 22365.98684 25148.9107 5470.332175 5978.622384 6089.413942 4732.378184 6813.945138 5661.202425 8237.133604 2904.806741 6073.662347 22130.25392 31036.9154 30966.83004 34246.51992 44708.89 55765.8555 29720.09934 21944.29572 31658.67735 36618.08216 30204.32174 40142.72887 25140.73967 28944.32712 8096.995683 34096.76469 5734.038349 18094.84105 2-O-Methyl-D-xylose 33767.2594 47293.04837 39154.44966 51176.17589 50401.49927 58788.44077 53156.65564 48154.88819 45494.89435 137719.8822 138237.5446 149618.1114 150881.6108 149737.2375 107221.2905 115504.9444 50600.37429 161352.4118 37140.44213 26904.31028 40912.06568 37893.06328 47630.1342 43585.01539 43914.07954 42329.7621 44823.98867 165818.0184 162433.152 161586.4787 139340.2028 155018.9976 168927.6351 158061.5772 84535.05997 150713.9957 38967.76827 46920.3336 41078.27718 53945.92695 38858.10809 38165.59728 47525.5874 40442.92916 38000.33468 46571.74697 36622.82217 35867.8569 45169.27119 52649.89378 186510.3964 40703.71204 163216.5369 52468.42963 (9S,10S)-9,10-dihydroxyoctadecanoate 34776.44262 35168.13968 61821.31928 60135.78522 58604.58681 55786.96836 32064.34423 43313.05407 47361.40077 28459.73436 24578.10503 20492.74654 30906.26987 21212.48031 20031.84158 31884.33253 19582.87194 20388.56213 84642.24207 87158.73999 65195.37731 48959.72653 77526.31298 100825.4456 52007.20712 92284.0458 65604.13154 16899.37702 19911.8471 25219.51076 24181.61688 21939.51456 23349.87241 16397.60829 30371.36736 25124.93363 23364.85709 52162.63757 37049.55217 48721.5428 68409.94582 42250.68577 100927.6179 85364.59354 79923.72919 69328.74824 64469.81364 54374.29 38728.7373 26613.49707 14553.35687 58693.13018 22790.23154 59286.76241 2-O-p-Coumaroylhydroxycitric acid 9.204147914 11.85796361 8.840215261 5.362108541 2.269869895 7.485053353 27.95447893 5.205995529 23.91470105 16280.83134 12376.52594 15491.7648 18745.40228 8545.056082 14100.6591 5910.043859 3897.821745 13703.75105 24.85165181 26.40018963 28.51244099 11.77431606 15.64976919 34.57812971 42.70624365 28.92599597 22.93986242 16561.22305 18043.40178 20069.20243 10828.99455 21071.16727 17988.07722 47828.07862 4258.223157 23430.94619 26.61957186 49.49973969 14.91301273 16.00409662 19.01430851 40.00450112 21.15604918 17.67077823 62.83734056 17.07047443 14.5918241 13.53942762 41.5916859 395.0472187 26518.27533 10.79150961 34774.53786 15.46452919 Meticillin 2663.152693 2385.242513 1823.619384 1266.36145 1347.715124 1529.498673 1309.180721 2844.913999 3629.941915 4007.70773 2647.320437 3683.034032 3587.914498 2078.886088 3164.534719 1872.784327 12575.49432 1395.254376 4801.521858 3862.609144 3171.649002 2689.914644 2879.185321 2018.752898 2537.876529 5573.384903 3328.036751 4142.436687 4568.207859 2496.194428 3012.697183 1948.44822 4319.55567 4599.211849 6685.893557 1869.393779 2462.424062 3115.019655 3097.464619 2258.705006 2678.946708 2791.479417 1266.917056 6513.921221 7795.319052 2187.477615 2395.986454 1786.285608 2231.927553 1238.67863 2299.888194 3160.642949 795.8444393 2249.654405 9-oxo-2E-decenoic acid 11637.99162 10534.9404 11966.5827 11420.70472 14530.86379 12665.57312 12527.91846 10276.54638 9468.345265 6820.906523 6019.629175 5329.244785 6476.255217 5937.320492 8707.256708 4612.703183 3155.869359 5808.768452 19635.57744 22140.44405 19598.75267 18585.24583 23238.56933 24530.0954 19549.55399 21791.24734 21695.4068 5088.663372 6074.928502 5681.293101 6021.984739 6406.460945 5544.314191 6797.221821 4181.175123 6823.186934 12691.9154 16680.16159 15290.12813 18575.77672 18818.09536 22578.90889 23153.02505 20807.23403 25182.11659 19267.30035 14711.30267 15467.48836 13697.94933 15701.75453 6894.115234 15232.41247 5931.173246 15746.20839 11-Dodecenoic acid 30919.09549 23822.89698 31155.71984 33024.41982 42816.25676 41117.33948 30268.4513 48933.37006 43245.54257 109.3197948 4.07813e-08 43.77155029 180.1008006 273.5550384 210.2038688 244.8466347 4.07813e-08 254.3030105 37540.09178 46738.33325 55584.46862 48109.96636 53649.48817 49726.07528 43678.05135 52221.90961 46890.87708 113.1474073 153.074053 104.7082364 434.8971096 125.2749599 83.82969461 4.07813e-08 4.07813e-08 123.828852 25083.56919 39239.47967 40216.84864 50947.3299 50180.60216 42477.20434 47771.15883 50280.38861 52802.32524 31693.64158 26385.16839 35213.95595 26539.10323 25560.91551 419.6844931 27441.93985 4.07813e-08 34636.89954 Dihydrocortisol 40603.0812 33695.16728 36476.38141 28804.00827 35738.59205 46720.30477 42256.41519 39601.67748 43399.93945 14557.08412 8803.547037 10497.0762 12650.57955 6383.238715 8070.938555 2282.400709 5952.923819 10454.66919 90869.40548 85122.95071 77459.32101 68841.67741 96170.52362 118299.4459 82836.2051 93101.54513 96221.06212 6151.450205 11910.26051 9503.637712 5456.559143 9676.697438 6362.659567 9411.269574 3538.681288 4292.549534 46681.6513 72239.91905 61454.62152 80168.70333 79823.75088 92436.17714 97869.0236 83335.92425 123007.2698 73649.65344 55838.69898 59599.18363 51605.16767 43463.54126 20639.28603 50865.02619 11235.18781 53876.13519 Cymorcin monoglucoside 43.32675325 319.7026 22.72924807 4.07813e-08 4.07813e-08 4.07813e-08 1838.57175 4.07813e-08 4.07813e-08 17051.00971 30608.1313 143.003007 3952.098802 2200.061567 26225.68106 21580.6013 24717.07965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80.05085307 30326.09976 4.07813e-08 18736.52162 3277.690803 37414.76852 22457.98087 18004.07882 12291.26647 7525.056152 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29.68362112 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28108.01625 4.07813e-08 62285.22218 3717.635641 Taurohyocholate 151344.2174 188727.7285 71616.83331 48369.70956 57467.42768 165944.4119 65343.87424 174020.3911 415943.739 1486871.103 1055375.356 8568052.693 1176224.215 15752320.19 5360627.57 11229334.12 8725789.974 5324449.928 16344.51588 23022.08276 17339.71568 78123.77623 9754.540435 20373.54488 12310.67701 57100.99319 16034.45662 1823767.902 611268.5896 286671.656 1128779.89 326325.0995 285371.9477 790974.8462 2369773.431 1027241.75 43889.50628 15497.67816 19754.55225 19605.55568 26701.29143 14298.19977 18681.59969 41092.45189 16549.6622 40827.8988 1443125.848 298501.4581 616196.2681 114250.4112 5425776.973 322717.5522 1212180.374 330984.7076 3a,7b,12a-Trihydroxyoxocholanyl-Glycine 8944.808706 25793.67372 11336.40096 21154.62861 11967.56637 20283.61634 10082.84509 11317.90291 11771.58817 151001.5992 406610.6811 508453.6173 113682.8815 2002766.243 1785099.997 2278205.719 5177722.851 647736.1317 3382.073714 13345.21239 11395.80963 14598.85373 3356.988576 6349.231648 5023.75434 25311.53247 14499.98542 1138479.155 193231.5817 129456.6802 279829.0627 353905.7017 221091.0915 263100.7037 1050363.989 147541.1241 4595.18699 2924.17415 2614.96211 4099.115666 5104.201965 1021.196088 5528.12555 22256.05879 21646.5909 6853.879749 41428.35761 17895.56124 43185.96957 12265.01451 333309.617 17408.73205 113671.1791 27319.79084 4-Methyl-3Z,5-hexadienoic acid 15650.2558 15344.73625 16504.58744 19779.03098 16694.67026 21427.45165 32401.59986 8284.941896 11841.36884 860.3973618 1168.1041 137.1286004 921.2485888 2838.420676 677.1463952 2165.950614 541.3554097 517.1753898 9787.985706 25299.8151 14634.64921 16929.81553 12301.39039 17390.47669 16748.21049 8664.798653 12968.04107 54.64275052 4.07813e-08 198.6119659 4.07813e-08 1302.572306 62.1088411 1403.202905 4.07813e-08 86.76151962 5641.894145 20666.25732 12795.36161 13421.44023 16459.58681 13416.34839 17815.62276 9987.258833 4390.467612 14563.02934 16999.0223 34173.56569 8948.68373 5221.059789 240.9995562 17387.48329 69.37716099 5547.058385 threo-9,10-Dihydroxystearic acid 47964.4446 45984.8702 69028.49662 59248.5426 77230.51346 68956.38221 41074.60087 51663.18486 60857.66975 20045.20673 19124.48975 18569.10094 22110.24481 20237.14162 18643.50839 23747.28991 16120.38191 23174.89535 76611.62904 102547.9432 76545.7 58137.17107 79178.2881 99150.32153 61773.76076 189458.1911 85230.01791 16851.56047 21990.65723 20652.66554 24687.22947 17900.48126 18339.17985 18608.43571 23502.71109 24434.54853 28240.20595 67058.82178 43768.15395 56543.16681 81838.13864 51502.28846 89549.39913 162415.5471 88925.60159 77352.09129 74220.59841 64104.82687 48247.09816 35355.23097 16771.45063 70541.17778 19481.22792 68307.73441 3alpha,12alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid 422.084055 1235.010736 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 548.622706 611.9045183 1117.71907 5723.655173 9040.692147 5154.893926 4532.023001 1716.823314 16857.67448 10175.99506 4219.178695 5758.670703 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1741.067058 7891.922232 1187.184732 9734.697442 2734.903468 7697.509515 12957.87076 5412.579446 3316.19792 93.06523793 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 830.4850709 2714.264335 4.07813e-08 1357.891293 4.07813e-08 dapsone hydroxylamine 9491.91912 9510.978666 9499.464972 9126.247246 11276.71319 9704.823059 10059.11154 7703.882923 6997.213936 4166.904678 4349.781551 4576.926165 4238.717632 4169.008623 5318.983416 3214.965013 2667.417624 4242.086786 10654.93837 10347.22682 10260.31916 9306.939079 14574.88691 9836.727256 10786.84832 10409.2786 12267.8159 3350.396852 4276.869956 3582.453567 3532.008947 4543.236442 5140.404158 4250.516023 3020.094626 2899.147691 7937.609574 8156.02303 8840.280119 9659.532519 10118.95735 13194.85382 9374.271074 10506.1383 14739.18748 7817.951317 7417.109061 8140.281225 7964.369778 8018.848137 3994.043809 7739.145213 4253.714986 9563.562241 2-Methoxyacetaminophen sulfate 5338.255907 49608.12234 4925.139756 2582.027126 7651.214091 15468.77054 24665.06461 20430.21655 35622.85376 1634.704739 1223.681564 1409.9939 1540.374319 1016.195045 1852.806684 542.6411487 763.5079727 1250.515395 893.9563983 1676.806924 965.7417949 111.5712996 664.4774819 823.0441723 622.302173 177.6540455 835.4727112 1754.443039 1638.91961 1255.795397 3761.427093 1901.739173 1263.716715 2725.486373 830.8139309 1342.871285 307.587119 822.6672419 551.7689326 1223.220794 350.8848762 382.1760021 1088.976797 265.3602567 54.69787992 737.7084566 25103.95334 4136.592082 15508.9652 21059.48726 81050.28914 12021.6408 101245.4534 46207.19035 5-Hydroxyferulate 272420.6762 250538.4732 266841.8904 266729.6748 269241.5142 239106.8063 234778.5766 234834.3274 236701.7302 180155.668 170737.2987 178142.1327 176034.4165 197481.922 145061.4624 226216.2141 133242.5146 205154.1229 163942.3577 177059.3171 160431.8957 176312.7106 167053.2015 168831.0173 178697.2079 205321.9576 196265.5645 147519.3229 195582.3615 179769.5141 228156.9991 159531.1361 177858.7307 162762.91 186451.1843 230448.2595 213992.063 174217.4411 182368.6278 157381.0681 161966.8069 167448.6024 195254.0015 209029.6622 210171.8304 196796.8781 194247.144 183412.1999 188574.6744 184489.6324 139566.2503 189512.0277 195756.5503 247049.2513 Calystegine B5 4863.704596 5593.313693 5041.417292 4743.02597 5080.33393 4400.242133 4274.052963 5385.770398 4800.791664 2948.979832 3036.680916 4178.964804 2738.546044 2002.954898 2764.231051 2600.191174 1679.844262 3926.425916 9959.226711 7424.492956 8898.499018 6743.499427 4772.022274 5474.498024 6401.088858 25553.30089 7891.151479 6919.625856 3966.73238 3603.003101 3435.563064 5791.253427 5603.867604 4764.682396 3123.730631 2851.949904 7305.254897 7026.058734 5992.466755 6153.300463 6394.717459 7089.624999 4718.173197 17027.96062 12682.59046 4766.818883 4416.943413 4308.524685 5418.700906 8769.74651 7159.613697 6059.028612 3356.600943 4159.577332 N-Acetylgalactosamine 20165.35545 20280.99156 17390.88528 14274.91762 27593.47799 25749.17077 20213.51003 32745.80265 42638.56406 4108.874621 3267.478386 3209.325821 4090.174687 3688.309526 3072.708126 2281.947653 2073.950053 4101.448571 23996.37785 30246.44583 20473.34123 12648.90938 21848.34704 33213.90344 21512.9294 36741.06804 36407.16693 2647.061384 4608.101727 3604.176733 12978.92984 4970.489622 3192.308209 4652.962709 2400.563705 11076.21889 11616.65159 21249.37961 21518.93511 23972.06641 16784.85608 20332.42505 41140.17203 33626.03383 14073.00825 36002.32256 26589.94579 36055.90245 29611.70764 22526.11242 8791.39703 39627.93792 4017.6477 36913.69333 N6-Acetyl-L-lysine 42554.20049 52791.21436 20015.47025 30403.90445 16826.64376 19987.23439 48474.0052 64280.94497 80926.1042 26922.54866 33193.74597 37357.94894 25676.6614 15694.05857 39133.46795 31056.19362 23048.52805 16925.5523 5901.69183 6218.42466 10346.16959 3922.454022 2514.809779 4734.009304 9004.728383 9020.389729 5836.265251 45163.75127 19281.25852 10206.52056 29736.57965 9872.377101 20037.46052 29570.37922 55538.27814 22756.57883 18008.31512 11415.95932 12177.19703 9363.459372 6330.940089 3545.515315 5601.554605 9228.905715 4655.00374 7686.427735 25759.33907 14154.0141 23944.25584 36231.90591 11472.18959 18270.39483 24573.31282 15941.996 2-(3-Hydroxyphenyl)ethanol 1'-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 48.2583266 4.07813e-08 4.07813e-08 11.08290695 4.07813e-08 4.07813e-08 9168.525766 7270.310955 1477.007132 6497.354196 1963.604147 6861.906168 5514.688795 5495.804763 487.5748589 99.41722578 295.5347408 241.7249759 4.07813e-08 220.0069915 97.71340944 59.84883493 170.2873967 179.0646597 11301.03417 737.5562528 6098.644939 3616.314825 10404.13767 6401.998508 9741.796685 3857.446198 5110.738884 73.93057113 30.64464326 4.07813e-08 89.21443541 150.296996 152.3377861 4.07813e-08 190.060706 150.282013 4.07813e-08 73.19737649 52.78499119 52.58283592 54.51249431 12853.67873 48.53202688 24427.11419 1517.866704 7,4'-Dihydroxy-8,3'-dimethoxyflavanone 12019.29124 8539.133084 14774.76135 15186.30666 10754.34931 31190.87099 22863.95533 8040.375609 13141.90278 1952.389352 1506.77218 1036.344207 2330.260668 98.47689217 827.5336889 65.92283661 305.5875991 1258.752524 11128.5581 20047.05363 17447.51943 10549.0652 31266.01757 44680.69024 29117.27015 29768.89434 25555.33792 578.9147854 1109.994348 222.844115 364.0340942 1616.343619 537.1098796 2010.726746 94.47086653 885.4842347 9333.29129 15509.93151 11286.94533 31969.41382 13944.06011 25392.79315 43944.96194 28593.38486 10547.64126 27405.37832 19158.10357 23362.24174 6691.684015 14607.56397 3161.865799 12848.72339 1550.21049 21767.10943 MG(0:0/14:0/0:0) 60621.08108 46452.0191 77910.93698 102259.8755 95909.8301 53940.74366 31126.42699 56534.83915 54757.3735 10684.13639 15865.22735 19591.82217 9976.763857 22959.87623 4634.697168 21948.74102 11303.31276 12765.10649 103394.1867 39546.8881 81567.52871 62893.46728 110136.8846 119412.8086 61471.23195 47862.86991 34189.44975 7414.148712 9489.69616 21234.2842 3733.780443 9931.238507 8098.501639 5418.101486 10999.65508 15515.79247 36746.35218 63862.70454 61397.69215 73430.37616 59639.6372 100361.2257 103216.1708 53314.00369 130389.5222 9793.807302 17499.24398 24668.14973 39510.67138 35234.57078 3751.378244 53906.26125 5935.581422 79390.04103 Secoeremopetasitolide A 4.07813e-08 37.99775367 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 488.5696597 18551.05114 4.07813e-08 457.9973418 4.07813e-08 866.6353629 69612.06785 32857.31794 394.37373 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35287.35461 176.8365206 24539.26453 492.287168 33965.88046 27622.82699 2025.317581 13568.21879 1526.528984 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6257.586318 4.07813e-08 33511.47375 4.07813e-08 Isolinderenolide 1166.416516 145.0625568 617.0743001 1011.617678 325.671365 864.476379 2057.975903 836.3641887 915.2474566 116.5742628 251.3699235 4.07813e-08 195.0075379 4.07813e-08 138.7226533 4.07813e-08 104.3302057 438.6370593 2520.295392 4047.175827 1855.706318 3586.070962 4216.990379 4716.481937 3013.207374 68436.81781 88417.64504 4.07813e-08 134.3873898 4.07813e-08 151.2382976 128.9135122 4.07813e-08 417.9738581 4.07813e-08 4.07813e-08 1398.699507 2368.213819 1549.323413 3528.506821 5161.362809 3141.63447 4997.63014 56499.46346 77962.17549 2562.751666 1592.816079 2936.555336 1222.328422 409.6719609 118.3625196 1799.876008 4.07813e-08 822.9566514 D-erythro-L-galacto-Nonulose 36057.62935 34260.55009 43955.2153 69166.92605 62554.33355 52886.21874 53779.27111 103729.1962 31538.92926 52942.37516 97725.5084 83636.11224 53604.45494 78491.78466 70580.48075 86072.36914 260256.1728 138128.5293 49010.83486 40261.14635 98852.56396 47186.96464 171557.4949 58342.65169 45453.30518 42593.88413 48058.75792 132216.7118 75897.86138 138000.4097 41152.57025 162530.9837 50593.62801 15609.27225 158986.7778 60639.05174 43282.22751 40307.56784 53989.56135 44807.3079 77927.07806 73290.98436 76189.12321 43630.48997 39879.33093 42592.49878 35676.82141 39165.54084 58725.78073 54839.09144 50070.06619 48328.86875 111332.0596 56534.39124 6-Hydroxy-R-phenprocoumon 23360.05055 27799.67488 16974.00375 16081.70743 18563.41753 11865.18888 39983.60921 36678.06055 35190.1291 39807.61569 35391.43928 34162.35937 40776.88124 24186.06317 21356.03616 18434.78329 29381.84769 42676.51674 9797.8915 64683.29722 9414.324886 12311.48499 54475.13879 115656.3322 47818.53688 30313.16659 52907.98137 35552.89466 30435.44883 31153.90791 33943.61178 30894.1377 24058.6325 33279.58888 18342.89727 33374.92416 17862.29458 35263.43374 7454.33258 16858.85293 21163.68026 27735.64602 107552.8779 29307.66621 36151.13355 53734.09797 38561.89118 16566.96831 14970.37231 18509.71384 32254.3168 15961.48256 42105.77247 78831.44181 Glutaminylisoleucine 21247.22479 28704.12003 10663.0597 19583.96356 8747.178058 10234.43065 22095.71415 24956.0061 19792.5555 3051.081772 3023.749082 2353.93453 2672.091192 1163.776127 4098.89655 3110.705628 2735.427759 2055.592941 2324.887158 2292.067924 7036.881089 2237.339404 3773.303715 2421.807152 4017.60458 2230.321285 3316.250664 3034.682064 2223.074577 973.1429547 2735.471517 1792.628435 2675.447859 3037.045384 2588.586848 1662.082331 6781.582856 5495.297696 8693.786427 6543.737363 3731.900142 2899.56675 2491.969082 1636.881967 3338.352774 1860.466483 7297.078013 5167.082532 14554.90679 23651.28547 1137.876353 4594.351519 2656.607929 3712.715747 2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] 4.07813e-08 129.4619163 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 150.7461673 4.07813e-08 4.07813e-08 56156.1764 44294.80812 31727.63835 58090.99394 24968.55699 34578.19316 14663.91694 10141.03069 13744.7317 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43724.82194 48566.60234 23186.06196 37200.4174 50343.79196 36239.70041 64185.67361 17633.9277 25220.38379 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 197.8123328 609.2303554 56104.34299 4.07813e-08 42356.17003 1712.324624 Ethyl beta-D-glucopyranoside 13733.40464 90149.06391 5628.003738 15373.63515 2680.664186 10017.80992 25268.40864 22847.85294 25570.60711 296867.3846 261479.3102 272547.0649 315078.9861 265708.6595 181584.8509 121138.4126 115866.8911 306247.1297 69.19683498 356.2252661 800.4599098 4.07813e-08 4.864575174 9.544313344 876.2079639 4806.437539 614.2499754 219990.6848 232114.9484 224259.0184 153896.1072 274296.182 217430.1748 193911.9571 88378.83675 183786.7136 5370.626265 384.5514295 1861.942143 627.7697573 4.07813e-08 358.4448343 77.95004005 6840.123373 4.07813e-08 460.7392599 32427.31039 11582.78444 36619.94516 100433.8065 284506.3187 17415.30408 294750.1993 33075.39772 (1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid 55179.2914 33673.79112 46523.03235 40166.74764 49084.9339 51307.57652 41994.79293 57699.63498 45622.83027 63.56432805 18.53572929 4.827624467 86.80377627 2.408965886 72.46114018 4.07813e-08 0.475796671 248.5335601 87223.37344 86278.72594 82947.57007 73533.75874 95490.73376 80340.41003 77071.53004 94603.66404 101279.6243 175.5232487 75.71510451 122.7536761 168.1392104 195.3700443 57.98409305 217.8957828 214.2806531 27.36790393 52382.00506 69089.84708 58884.17114 72853.05074 76279.31662 87116.65767 82203.90332 96019.12032 124647.6266 59402.83337 46874.9715 54551.0986 46053.61588 42356.6163 74.85261426 48313.93455 196.029621 56932.83179 L-Allysine Ethylene Acetal 4146.901418 8391.108535 5043.506145 7300.43886 8730.907169 3830.788018 4732.267179 3461.015643 3648.617083 9059.731104 10476.51127 15131.68709 9206.031009 9878.710553 13097.36341 7083.368281 2571.055309 6352.217418 16522.31819 10661.83562 20360.81473 19262.72404 8950.366641 13440.73141 19369.75819 9237.642591 10033.28123 10478.33508 12270.04637 12828.27582 9416.239066 15186.85474 21008.91313 15046.92838 7055.99592 10587.94201 8786.713601 9881.818647 8945.561022 7540.941817 18219.99949 15134.16285 12118.20174 10615.07852 11698.9884 9525.661728 6304.023073 7428.629652 22115.66043 12291.84081 14816.87252 21234.11481 14111.98989 5807.678544 Oxamniquine 6859.212698 6851.721054 8428.03775 11510.18595 11130.78851 7234.766035 7074.496452 7969.206048 6301.506229 3113.462206 2664.42101 4365.657252 2789.737854 4092.438005 2088.186177 2533.680178 2081.215056 3385.358747 10604.5372 9131.587268 8477.319164 9491.108968 11330.46634 11026.48354 10516.92125 12191.23043 11373.03157 2209.792299 2536.08661 4344.112153 2313.824914 3125.149382 4198.689069 3079.053841 2076.840634 3334.701562 7003.205023 9657.397624 8028.489664 9356.846175 9526.246479 11174.96289 9912.896552 12251.25314 14671.30306 6227.275645 5692.289452 6855.637257 7387.188898 5807.997918 3536.507385 7973.575258 2599.648809 8343.213057 1-Nitro-5,6-dihydroxy-dihydronaphthalene 2984981.014 2695228.518 1744434.125 2846240.761 1871320.349 1192052.483 1723750.061 2215566.089 1229685.254 495301.5486 443983.628 384627.6911 495577.8085 454175.3956 528584.9531 287004.4478 394514.7435 546742.5045 2377124.54 1934741.248 3545285.484 5388313.384 3096126.416 231425.9711 3861807.512 3505017.532 643697.9246 539396.4928 603558.904 532657.8177 570406.6397 906814.8081 651821.1339 687208.218 359395.8246 454203.1847 5169110.224 2517182.679 4009672.286 884594.5093 5027703.717 5740818.558 234306.4398 2668969.286 6022531.073 149765.3012 450208.5058 1226730.949 3910810.218 2606286.428 855269.4014 1110309.12 394634.2707 1131521.611 6-(2-Hydroxyethoxy)-6-oxohexanoic acid 12743.47782 13239.91079 14151.77394 11943.29587 13485.85322 13060.52744 11353.46413 12232.70145 12533.77411 10053.01976 9181.060614 10408.54378 9449.271935 12976.52667 10331.26476 14526.45118 8560.723419 10325.59198 10313.52066 10695.6988 10094.11099 9915.323922 11141.75155 8500.072348 11280.11693 11861.2861 9497.261973 9163.050823 12129.11339 10270.69115 10918.46193 9570.921377 10790.8463 8500.496385 56610.25643 12572.61532 10708.21906 11214.47043 11271.91248 10416.7713 8533.027592 10702.20509 11550.22241 12044.55003 13226.06865 12057.7413 12383.94035 11441.57636 11452.49028 10648.11706 9875.987109 10466.61386 12221.39069 13279.63489 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid 498.9185827 622.5019288 810.5515969 2355.090956 3046.251875 1227.361519 1378.455313 2008.66233 2112.584412 821.518621 1166.925316 363.2000354 1245.871478 673.8480927 2787.055086 271.0163805 206.8713682 308.5547833 4160.644051 3185.060104 4473.862578 8101.458695 6474.511999 6474.374316 4559.269898 2361.468967 2008.624915 192.9168424 221.2684528 358.9494737 92.67972851 81.03957784 532.6264011 259.1747961 217.4429942 380.4206004 3541.092817 3131.390313 3065.769942 3300.400708 8639.969177 6678.892742 5853.08611 1639.097478 2291.984154 8028.951244 1648.477158 5414.004345 2290.405806 4231.620185 498.2297756 6734.310566 531.8027371 3512.177407 20-Hydroxy-PGF2a 117838.4487 83226.16191 99088.2476 87654.37681 81529.78914 127926.0072 127162.3347 81811.91453 81926.53376 31861.23214 24633.74278 15431.63863 30893.52948 11715.60085 14642.24152 6279.61316 14197.49243 29384.07352 194981.7499 189525.6455 141463.6094 173444.6736 193114.0115 216956.6304 165285.3166 148945.6403 136177.445 15482.83095 31577.70299 11922.06791 20230.35914 26453.76618 16253.35599 31352.31844 9198.611478 11965.22345 132461.2326 196787.2762 153692.4706 140085.8652 186461.0555 178977.3883 209655.7265 131704.0189 192470.0459 125451.5865 110949.3127 158393.3023 107982.8462 89840.25864 28609.68552 142621.6928 25632.73244 123491.7888 beta-muricholic acid 3610930.857 6076318.851 7666025.57 2616696.652 2331724.307 8499208.83 3103229.921 14064649.45 13274154.41 286964.9767 96855.29669 3147652.748 339084.3174 3942046.288 2812327.352 902062.0682 2629710.503 3520134.246 22479866.44 11751946.95 16767704.95 7632263.514 6215570.608 1434470.783 2575101.75 1311330.077 1223087.062 1065077.401 1675377.973 223614.1662 1243557.657 404286.3061 216702.747 1734076.805 1533416.261 744454.3584 10143486.95 7556572.316 18987840.21 14469634.99 4462923.361 6102207.081 1385352.793 1198185.817 789364.099 43045538.64 29220044.07 14419809.04 13560789.97 5932182.902 1925130.403 16373172.93 424225.7557 5984929.012 Uralenneoside 4.07813e-08 182.2840906 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45.7327786 4.07813e-08 4.07813e-08 10814.05339 6338.13372 191.1299402 11286.69812 4.07813e-08 3133.456589 4.07813e-08 2061.500867 8278.275218 6.747588962 36.28493065 72.78536182 5.613613587 36.69580618 8.48952294 50.38860024 4.07813e-08 36.06193774 9168.998068 10535.54842 143.2599512 9096.640605 8414.668662 4857.688017 16412.38674 887.6314548 352.3778433 255.4901241 81.16979186 37.96994173 4.07813e-08 4.867527561 175.3716624 36.61167441 4.07813e-08 13.37983299 9.876519473 48.74142315 44.72401053 123.5443809 1071.892485 15246.76137 246.0957337 9483.182041 941.0503881 2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid 120791.3759 123281.833 134009.7417 138397.1918 160154.8816 132936.7151 167227.8582 73270.26063 119550.7052 19632.8847 16123.52256 16393.02392 22133.23983 14727.03257 17250.57199 4881.600909 7324.074998 25216.59499 277784.5683 272394.089 253803.5072 273740.7672 347499.827 261214.8657 282471.7443 157363.6679 183767.4818 13233.57398 19547.76687 19389.9261 15570.52295 23940.68073 15261.80417 19070.63526 7193.136214 23555.48984 153368.3013 236908.1567 210587.0252 202143.0606 295921.4434 356622.7352 240016.6524 153509.2646 252029.5293 252557.754 195498.9181 243389.8573 141363.4499 134995.7569 27974.95081 219171.5468 16582.68676 123371.7643 6-Epi-7-isocucurbic acid glucoside 5028.008522 38825.83603 5764.685344 7916.392719 4449.880013 6968.807557 25415.05999 27965.95251 16880.10705 9289.95543 11650.47821 2057.921622 11063.19378 2515.324373 3483.450445 2233.427117 3769.410503 2681.075639 3123.168976 3622.974356 3221.529442 1822.486452 2912.370006 2420.806684 3071.976315 2435.467348 3465.566114 1503.433637 2754.812992 10912.40016 3233.403296 5873.598403 3001.019222 20364.80509 2969.269859 1283.028234 4419.822568 3724.482701 2657.054423 2851.419127 3776.144873 2095.679027 2317.048827 4140.581335 2852.449936 2029.299748 4050.136786 7639.962625 11697.67643 16343.83014 2710.976982 10794.62453 2951.676188 13603.1201 5beta-scymnol sulfate 2139.457471 917.1240152 1799.35674 3728.254379 1098.288776 1059.953956 1261.185085 4440.864233 2811.213882 2250.339408 1209.915411 30756.75449 1497.002271 86888.70451 48316.27039 11836.3425 173969.0414 48000.17719 1816.825979 4.07813e-08 1810.755703 3085.855104 1361.964874 248.3296544 174.7109204 4.07813e-08 624.5613427 81020.7303 13653.01595 14397.00621 13556.48942 7302.701761 2141.546671 4661.591559 45666.53281 2430.216607 11837.09099 210.792791 1094.79776 435.5782801 4375.146272 2200.524323 179.2613615 4.07813e-08 655.0224184 1736.461672 21624.47016 5663.994932 14672.42351 6420.369484 11007.11954 2434.648401 2722.738236 3584.510182 11b,21-Dihydroxy-5b-pregnane-3,20-dione 187784.9348 143937.8653 138897.8167 112467.1241 119334.6623 174753.6254 179636.5994 139778.9311 134020.0551 64963.17052 53634.43819 27118.71097 63467.9779 21470.16661 37754.59943 13633.30589 21609.09027 35580.26138 310645.4478 326008.0697 243349.942 282157.8036 318299.5808 320341.5633 261966.2094 278905.5246 285392.9862 22227.74398 53601.21975 26940.46627 31001.43614 57910.51301 32269.30718 46268.08061 11386.69932 18132.76664 193305.6433 288083.9386 233956.0601 245428.8034 305893.1556 289878.4951 308840.1867 258702.3905 390642.0844 232053.0568 187995.6138 233133.4547 173812.113 148131.6022 56384.12329 212206.6072 42760.1441 198464.3689 2-Ethylglutaric acid 1312.695834 965.1850145 1412.611862 1395.850679 1319.851509 4600.37521 1108.515352 2152.485198 2107.837102 4033.362276 3905.118499 8617.44692 3942.386814 3944.951768 6868.603773 6321.745632 3491.455081 6408.235192 3117.82305 2215.266487 2561.118688 1954.648838 2151.552068 2343.492467 2400.508328 2997.925849 2624.634619 18571.13479 11706.08148 9455.07273 11053.78846 16689.99777 11542.12466 13929.52146 8588.065775 6426.336874 2491.580333 2637.355901 2370.385078 2210.83782 2150.148924 2060.499148 2002.914989 3000.028843 2592.632428 2705.760506 1861.925666 2685.867451 2477.853367 2498.16844 19109.25747 2263.05151 9394.845197 2088.16786 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate 943.4792095 805.7177739 3450.789849 3585.73127 368.3936718 1898.822425 2493.028736 2266.109518 38.20095212 18949.95532 2287.48319 19370.97997 13570.66225 35131.76133 22258.65485 13306.84926 47278.60974 1694.028903 44.30828891 117.2693132 629.008855 1012.825138 697.2962255 35.6766818 474.2398471 175.5530052 194.1392091 14702.40173 6760.365334 11179.96267 16835.63158 2327.090565 11203.96051 40691.58042 19871.55231 43055.59779 3706.593975 519.8419801 1391.736327 551.5645902 215.8181994 1243.607083 72.32625029 93.0633758 135.2252662 71.208079 73.01325091 1110.799668 1229.203028 2371.970829 10680.22012 614.0892085 362.6204883 1345.881613 (2R*,3R*)-1,2,3-Butanetriol 1764.839023 934.1158148 2027.034191 1155.323467 2350.115414 2259.448782 2113.614692 2316.080572 1613.043967 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7385.836605 5531.270118 2614.557381 5599.715245 8859.158074 7982.416356 6904.11553 9411.220403 7886.342052 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3383.66634 2966.177084 2372.927833 5684.333579 6408.565928 7297.613522 8627.425829 8735.41953 5635.796572 5073.676147 3646.87421 3863.503008 2820.138429 1564.672676 4.07813e-08 3250.900867 4.07813e-08 4410.025316 Arabinosylhypoxanthine 74571.43686 112927.5152 115402.704 52504.86806 121328.5285 67552.85807 49890.49759 316930.3644 206325.405 4006.933 2429.561828 37928.99991 4640.966982 1888.74841 3942.515787 3708.273057 4827.710043 4008.41487 49528.98889 58769.97655 24589.15166 20355.6395 43063.70847 53776.78417 60100.02802 9401.181045 77476.67216 6579.985438 4514.232264 3253.210193 5136.161261 4650.921532 2724.581026 3554.555063 4769.287138 3249.541281 31845.61298 53313.42905 67878.50444 82210.44825 122434.1768 76850.62352 133759.7138 32155.39162 18207.31549 364033.3711 50949.88656 299348.633 176917.8733 242575.1705 5342.401375 257433.3211 8884.853899 137061.9872 9Z-Heptadecenoic acid 62362.16895 95438.80855 87767.06527 77333.54705 95325.48099 93979.93634 71790.3366 114435.2891 99433.97411 214322.8788 252749.451 343930.7531 180420.6017 349339.3537 483556.6146 1680181.352 1436213.888 414349.1176 82075.23718 64019.28711 71169.63127 57759.36919 74657.17919 92613.90468 60548.12675 401819.3405 108578.3031 502600.2132 138705.9461 260711.3875 259439.0911 156439.5403 336703.293 238664.8309 1330712.912 311326.6512 61794.64454 62129.27366 61821.5226 70751.35482 72123.5649 80378.56421 91096.98779 300831.3808 118521.3459 61539.14069 67892.94864 73445.49372 94547.52327 73427.9944 164214.7918 67843.01047 305322.8499 78057.14635 Aleprylic acid 11107.9158 11996.76625 13188.17291 14718.33415 13784.33961 17477.0463 15338.29087 13376.34561 11598.37149 11248.26235 11075.62924 11036.7206 13457.2871 14898.25463 9629.643734 15369.94226 10587.44768 14880.10963 12816.37435 10221.83633 8644.943228 10532.60152 9966.163438 11039.45095 10012.32907 14324.03334 10732.55487 8391.306013 12146.23111 11394.03243 13569.58905 12159.53759 9136.792529 9022.384578 10682.84605 12962.47427 10843.32867 13518.75847 14337.02307 12110.62667 11056.63412 13078.89043 12324.68018 12027.17625 9762.507404 15002.09849 15240.25791 13239.56137 13317.14562 8195.492244 9863.326138 10106.85137 17553.36269 16566.40995 2-[4-(sulfooxy)phenyl]acetic acid 319.0442875 4739.124523 4.07813e-08 4.07813e-08 723.6676225 2447.17279 2727.77558 857.4074464 2400.56921 9587.988377 7217.995828 1433.021847 13103.34515 874.7435268 1240.034528 123.2239084 744.4859637 1883.245922 1309.802793 1551.760742 1382.6544 35.07793446 225.3837237 813.7374088 1393.084022 1153.016911 121.8368785 576.1315121 1831.782779 3079.729958 3013.511818 1525.038312 920.7141287 7891.985895 478.6951893 5351.010854 1250.205908 4.07813e-08 331.5166599 672.4778651 218.5328241 774.3477445 1058.714287 1140.288889 4.07813e-08 410.7022366 10522.01799 3096.899373 6689.490334 22183.57173 3160.556311 4203.503198 4416.615649 2793.901794 Blumenol C glucoside 838.9858762 237.9726629 1089.870251 878.3470905 1728.241318 1170.691404 930.4288195 596.7252275 1596.584561 4.07813e-08 252.7939116 4.07813e-08 4.07813e-08 4.07813e-08 55.4130091 4.07813e-08 4.07813e-08 115.0066424 2626.55448 3086.217542 1737.053956 1878.223956 3120.302375 3513.768638 1716.405855 2187.590947 2294.123113 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 130.0915381 4.07813e-08 4.07813e-08 4.07813e-08 120.8491734 463.5411497 895.8312701 1428.793345 2153.24182 3285.797862 3589.603863 1988.795978 1973.547229 2406.804748 1568.090897 4566.447128 2060.573577 11908.51398 805.0239239 41903.07112 1486.294554 1669756.184 20846.59431 O-propanoyl-carnitine 37198.4112 59911.77709 42446.95308 69861.14032 62853.74398 42596.45347 64842.53888 105812.4612 77564.39417 3604.65485 2079.959941 6816.981475 3566.297516 4137.520979 5084.703025 3992.650146 1137.699745 2500.606346 32974.2044 11153.28974 21649.54827 7968.030115 11083.052 11458.6124 21101.49683 7496.279645 26692.18355 14606.71227 9189.914253 8352.06584 15107.04664 10484.7172 11211.40108 9455.619047 9545.801301 7995.653834 58054.01395 34324.49303 42347.98029 47367.46471 47986.46251 27571.06913 51665.6138 30893.34323 14942.61448 76917.02897 71570.64206 103647.6316 117976.1114 117660.409 7266.814453 153242.5368 9282.592596 136163.0248 {4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]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 1282.432584 2454.12638 3406.990302 797.2864877 2573.278664 10799.53816 2161.458694 37509.60301 2941.843544 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23547.64223 8345.08151 9559.383294 11635.46602 18463.90447 11468.30582 1211.340775 21549.76339 13913.89615 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12648.38862 4.07813e-08 5053.759807 4.07813e-08 7-Hydroxy-3-oxocholanoic acid 196228.766 368402.8018 822817.8645 385411.08 475676.7894 1189290.406 491268.2539 457712.7805 425213.3901 5568.692487 4.07813e-08 6664.271172 4662.835415 10628.18208 24436.84231 2162.969464 2020.59914 8974.978173 1272130.046 870171.2049 1677659.969 1175971.009 1303700.318 1314602.402 1114361.727 494196.2044 520016.29 826.2313604 7127.513422 5073.408474 313470.2413 16651.58957 2089.242072 1105636.85 24866.92991 96705.49004 297942.2918 347029.5751 913136.5654 1155415.462 644813.1629 1438562.419 1141345.413 414746.5372 1021187.41 3251582.889 1722592.852 1039959.254 512436.3287 385556.258 54039.04721 916361.7936 46436.67262 681997.6943 Isoleucylproline 88260.75249 108037.7505 56505.23826 59333.0149 43633.23131 48898.80668 95101.08854 129472.2712 169969.871 11765.36302 8653.399921 17246.6255 13349.96435 6369.868039 8707.002155 8552.968724 5408.115469 15547.1812 14285.70484 17069.8361 24177.21403 11822.75254 17185.25398 18988.45049 19614.01788 16670.6179 27682.68321 14148.9136 10732.2987 5413.526709 11020.29532 6091.311183 8085.729015 13223.83451 12072.55544 12191.91158 23114.52584 27377.26058 31572.50877 36758.8705 23459.70692 18396.38592 21877.47845 19263.14195 18800.29564 19109.12394 33873.49124 30558.40348 51304.31848 55650.46448 8787.675765 30312.15626 15553.41375 29808.30245 N-lactoyl-Valine 479.2420279 436.1108119 85.73040631 220.8641724 36.77431168 85.59831537 924.7652942 477.2928093 220.1620976 4507.344131 11302.91249 7852.231737 3214.750844 2976.127242 10537.39306 22128.30175 12929.13733 6463.128094 166.1503767 220.480899 233.7465847 4.07813e-08 130.8432985 66.97031686 307.5902304 2677.416401 139.4231756 22213.86344 11856.4026 14162.9123 10929.57238 17085.96816 15642.06455 14633.16879 12885.27463 11823.53798 2564.968712 4.07813e-08 159.8463977 152.2297316 120.8590565 239.0191171 76.72101475 3388.545125 143.8759159 160.0400767 340.9317487 489.6494442 837.269534 1609.491684 12312.81029 791.7938327 11510.23549 1333.844423 3,7-Dihydroxyflavone 74.46651009 53.85335011 4.07813e-08 40.02131125 8.905625492 89.79758282 121.7910819 62.86558069 4.07813e-08 32679.76124 27309.08245 51566.35959 36419.0082 32966.03852 49997.1225 29171.68258 40081.46025 48598.05421 53.69215479 41.50204994 7.799382803 4.07813e-08 75.18172425 31.56998708 58.92038749 9.477251012 61.42242318 125559.8984 90638.9679 13054.13233 103191.733 109488.9445 31463.11806 125654.7816 48781.06017 53021.05669 13.01069682 178.197168 64.42172896 13.33150515 33.09352665 33.21945592 49.77532034 3.532027619 95.93499195 101.1535261 75.68224845 25.28214722 112.4994183 6.850979517 142988.1534 11.20248863 101552.5184 31.4307816 7-oxo-11E-Tetradecenoic acid 15366.74471 10774.37274 14523.57282 16270.01264 24696.2239 17924.65399 14915.4944 16680.93032 22532.83583 247.4390288 243.5072676 299.3363826 310.257141 292.910656 64.84188934 242.7939985 1.565347027 924.7034944 28667.88143 33102.52286 38206.64076 32427.3319 28061.29295 30247.24003 32398.49298 31974.09429 32309.8961 60.85418626 259.3553528 260.4088892 89.4051248 95.91464499 80.45909721 362.4830593 253.1072259 766.6687679 17319.94548 25582.54755 21193.35827 27047.3106 31403.95939 32452.45475 30145.95436 31025.40669 50702.36377 19419.29913 20112.93454 20633.04343 17077.28828 14555.56498 325.3162863 21536.3537 171.7728762 25192.80288 20-Trihydroxy-leukotriene-B4 583.4731812 745.5235254 133.0854026 4.07813e-08 619.9918218 311.5886534 342.5542147 2922.303388 2510.048745 6568.440798 19344.1854 408.8078464 2139.149594 5675.454601 27535.8797 74347.27137 31882.15494 447.6011163 4558.69575 4831.498098 3559.549939 3168.808713 4346.854167 6218.488951 2601.125842 4302.086354 4378.720347 20740.95938 507.3759127 17307.46347 2852.589919 17558.62486 19455.6168 16698.81612 16488.52655 6919.67852 1589.629815 3187.582549 2529.807213 4149.530352 4093.887888 4537.320119 4158.40372 3295.824048 4819.419061 1886.582122 1416.970819 3364.662903 3401.297406 1027.174552 83632.69673 2026.48857 132843.8719 4020.066822 N6-Acetyl-5S-hydroxy-L-lysine 7096.691287 6745.665483 4707.894334 5826.561165 4709.744479 4110.301547 7445.698558 8030.577745 12100.44418 543.3609598 1298.308438 1082.79686 900.9600734 521.1098736 1328.965816 2018.959061 430.1984085 1181.232 1694.091061 1304.062525 2409.6801 1084.737353 2389.606087 1975.554666 1627.365427 1348.773765 2825.514559 2159.353031 989.9542468 879.6918388 1787.314232 134.3297309 983.0853396 632.377055 1452.452908 709.1168286 1527.315322 1891.788595 2782.02017 2732.286417 2396.95432 1943.048843 1749.725342 1928.241623 2171.742802 1475.928202 2340.59448 2536.861174 3546.899969 4234.95213 4.07813e-08 2105.176811 1772.248012 1332.947598 (-)-Dioxibrassinin 174.259764 97.47799863 4760.348101 1560.836907 107.3924633 1507.87179 12225.74879 92280.74038 289.9806085 41.71464889 47.54364671 21.65852737 83.62361566 0.468535673 4.07813e-08 55.01577291 4.07813e-08 446.5295699 9874.826445 123.9447347 152689.5951 13883.54149 20574.90559 161.254451 17957.02935 25.89297638 379.0534689 287.4231001 102.0148228 32.46478327 55.95312358 52.12335763 454.4172141 28.50266375 761.5956213 14.47076571 1393.279692 180.4129757 192208.3613 10350.95279 17516.13476 8276.536305 85.7159131 32.29079148 279.1954499 80.13090508 561.217276 101.5833192 47231.63405 161.6682904 38.18406923 48986.07204 93.20421619 115.0429742 3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate 376.9921538 14714.41671 106.7183008 1843.901256 569.6948059 105.4529079 1133.804167 3381.550035 631.3268446 13003.78549 13371.70453 2614.875392 19283.17809 5259.351408 719.8452619 1044.387323 2409.371704 3684.715592 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 916.4827639 2009.309802 14418.90255 6506.046716 2200.074645 2034.969867 9582.526657 4386.550929 44760.89513 980.0383622 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 430.7754552 849.2542915 3367.066437 11453.97166 3953.178074 878.1400109 10241.80876 721.415583 (6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 4.07813e-08 3.011599852 75.78268672 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 113637.5306 94146.10767 88089.09191 117434.2524 77394.52106 86038.99196 48690.72406 42487.68494 89530.61795 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26.73250487 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 100149.2805 71267.85658 51559.24573 74900.3777 118321.3277 82470.29284 110918.2186 45295.60278 76756.59035 4.07813e-08 4.07813e-08 53.33053417 4.07813e-08 4.07813e-08 43.88655507 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 140.119918 4.07813e-08 4.07813e-08 100.8900999 111965.316 4.07813e-08 83821.89588 4.07813e-08 Glucosamine-1P 16831.59882 10134.12803 9721.156489 9799.568259 13292.83976 7729.690226 6938.471032 10433.92652 7863.416083 740.6259991 620.774667 318.2178236 516.7964932 716.7874236 566.598898 414.9795118 896.5006417 635.8977819 17939.61507 13675.81782 12171.0994 18378.02488 17565.98252 2831.682104 14961.58185 15331.08323 7984.402148 503.8518989 660.783083 886.9433039 857.8836916 973.0866014 603.0194801 748.4429664 467.17332 535.0060363 14429.97316 10869.32119 12301.9289 6432.769281 19190.08424 18800.7771 2670.606205 13060.36527 29092.22834 1968.384605 4689.840412 7898.07297 13913.39322 7194.805226 813.9522734 8207.475461 586.7848922 7066.96598 3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid 266.5612436 1747.125779 1151.298305 3690.297215 2270.993626 1424.727425 2184.393708 1162.206123 850.8531536 4.07813e-08 11338.35382 6.085505703 392.1855627 116.3198693 8.312046093 19328.6899 22529.89944 35.11461891 3873.325257 3039.328092 2931.817619 4094.731602 4835.176214 3108.038691 3136.73805 1057.708417 2321.426917 17102.22496 86.16635174 30097.745 32.29417668 7964.465784 16852.36662 81.13307839 17760.53433 815.5092482 1865.686006 1279.709224 2227.504616 2230.657471 3377.48313 4565.0244 2270.455398 1858.14468 2135.037216 3320.828441 3748.784446 4016.44987 2703.530705 1612.63211 230.1610874 2359.486451 4263.801941 3080.556396 N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine 16351.5012 29292.60556 532.5633219 1791.684927 3450.830768 349.9640976 807.0118004 3320.728918 10951.27136 67528.64263 100626.697 95071.40326 69490.80652 170106.5768 90629.11358 56620.18989 122982.5378 155647.71 223.2842586 404.84402 592.3605811 4.07813e-08 8.040773894 4.070856541 196.1758743 596.1498228 182.8049142 64548.85681 33472.45491 23207.71493 19058.31978 33393.69138 37403.38182 14407.81094 48767.69133 49573.58681 1309.462272 187.1329653 151.5936249 437.0164197 8.619102962 17.55447503 321.5995564 642.6893971 1.577550606 216.559552 5957.18084 1095.726896 7142.089287 2079.179983 79487.37378 171.4547071 21658.09185 2612.205578 2-hydroxy-3-[3-(3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid 468.9518244 2189.917415 222.7312731 1011.291654 1148.345126 1021.990612 1236.282472 3129.491897 3294.671854 5592.343463 5116.974789 2710.234596 5582.676382 3897.746393 4657.934609 3149.739827 5787.391395 16662.37874 345.1164074 4.07813e-08 4.07813e-08 85.71524348 4.07813e-08 4.07813e-08 145.0759659 4.07813e-08 4.07813e-08 2730.769826 3839.924827 2767.846155 2794.549462 3466.236321 2210.863046 5789.072651 1399.52554 7820.811711 1044.446895 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 110.8195463 1898.470243 1498.145809 2035.416147 3927.571912 23093.25768 4669.988038 3881.593046 2060.593895 2-Propyl-1,7-dioxaspiro[5.5]undecane 15764.22167 2665.263904 9291.191397 4639.040037 4067.634375 14309.58903 6595.270595 11667.89446 9848.927117 4.07813e-08 449.6303448 182.10267 545.1880278 357.5282848 135.2338804 429.1836364 125.6359729 401.5643573 15829.07759 7558.889642 11161.10678 15059.85207 13163.89073 16128.88652 6493.167015 2257.32336 2509.893304 4.07813e-08 358.5115762 286.1067761 478.257652 273.6509053 193.5836418 109.7101564 393.648436 238.0265591 18600.65247 5216.905672 7730.352037 4230.12283 13141.40069 10068.55017 12461.30038 2041.669376 2675.402319 8246.692084 11486.11015 12654.39116 5545.714387 6927.1878 1402.612546 7708.911103 838.6148149 8914.040116 (3beta,9beta)-7-Drimene-3,11,12-triol 16843.98394 13407.35936 14132.73859 15886.22556 13916.67613 15554.77553 15388.1038 9784.588272 12883.50014 3489.685449 3166.750201 2518.224665 4088.600133 2204.134833 2542.249712 864.687916 446.2667085 3104.812435 28466.37724 26162.35306 23994.76839 27378.53806 31798.99336 31662.10203 26227.80537 18317.73151 15056.1468 382.8598662 4691.008649 1906.529922 2114.833459 3332.019544 2224.72149 3375.510188 735.2253954 1670.496781 18402.39819 25498.85518 24210.70917 20279.55431 26733.9997 32653.42046 28944.16723 17077.76114 24377.80831 17670.98012 15758.73782 22617.00254 14979.26806 14118.15817 3401.286141 24104.32772 3046.23727 14310.34188 Maltotriose 317027.2386 438310.6834 603347.2599 562717.475 234348.0844 622815.3628 574722.6173 422901.5935 366830.4523 1161687.309 753436.3379 511161.9275 744872.6134 639265.4324 593481.4139 335385.0113 178613.056 257498.7964 177748.6758 128311.6851 216387.9126 165501.5777 118818.6836 122468.4615 200316.0295 223921.3551 265993.3066 765184.0714 591386.5946 496235.6318 666911.5155 453505.9095 611220.733 2338286.433 379705.4607 698431.9171 269555.3752 298862.6764 296780.5006 234073.7423 129777.4286 94095.44159 96515.33581 225876.6502 231974.2576 93973.74633 97304.39856 221521.4649 202902.9817 258452.6774 337472.3484 161449.5413 779043.7359 283828.1878 keratan sulfate I 8765.105902 5041.07022 8985.93739 7474.281059 12634.1047 10379.48191 10244.64701 8739.948256 6261.517555 729.6965259 749.228245 517.0194489 534.1980925 560.5193615 650.5368231 389.0311907 357.3556385 664.6925249 11834.21212 20780.7548 4563.349895 11755.49298 27732.00031 25624.13555 20494.97167 9572.106693 24926.45507 473.050784 496.5476507 546.5197744 515.7698456 701.9389976 368.3123674 444.6325983 278.9815582 371.7434076 8792.765391 12753.75244 5216.020735 12277.62148 16852.90489 18468.43219 25166.3304 11951.84384 17660.03775 18369.05073 15098.66938 10525.65436 6354.897858 4468.427637 552.4333532 7388.884711 598.9450696 21319.69958 N-Propionylmethionine 1911.201114 2517.126785 950.7135875 1234.752332 1359.72728 904.1198595 1798.221631 3195.930332 3364.264863 30.15069578 526.3269604 350.3775199 4.07813e-08 292.2469718 519.3119016 2033.51028 443.1654691 4.07813e-08 1593.690413 1117.902779 610.2023669 893.9619284 851.4389963 1814.075101 1640.007817 450.1120017 698.4613563 2961.218669 750.0707356 1326.63492 1123.335464 1515.309881 1856.248081 565.9912862 1643.623986 732.9351241 5086.73933 1113.503771 739.9379611 940.3000755 1246.84789 1140.310649 4188.346045 775.8324406 337.7036508 3584.516958 1756.781744 4308.257594 2929.957563 3543.546463 1281.927725 5929.445764 441.7441722 2295.217933 2,3-Dinor-8-iso-PGF2alpha 553.9108407 253.0435138 692.0208798 448.7002848 1675.754098 1090.130205 857.5984709 656.1207331 265.4919289 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2655.189979 2759.430924 1800.670566 2782.867358 3487.128127 2655.753617 2109.986323 2237.504264 2639.791206 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 599.0958759 1358.613598 1739.61298 2419.735323 3261.340669 2729.442689 2435.603747 2110.235812 3642.235629 1571.715585 1043.139775 1892.229817 2118.947857 675.6602494 6393.299342 1985.067704 270369.0127 4018.707685 Icariside B8 553.4401987 625.8689863 653.2861785 1089.20959 1160.603102 1685.965313 1661.311654 1054.64546 602.5866233 4.07813e-08 179.1795113 4.07813e-08 4.07813e-08 4.07813e-08 93.50865837 4.07813e-08 4.07813e-08 4.07813e-08 3409.861536 3664.004308 2648.856848 2136.802376 3608.654874 3993.240691 2726.322208 3383.376404 3915.097363 4.07813e-08 4.07813e-08 98.79150262 4.07813e-08 4.07813e-08 4.07813e-08 93.32017361 4.07813e-08 4.07813e-08 2035.821179 2651.885156 2870.049231 2474.1682 4002.204245 3832.930638 3025.046696 2941.292092 4239.083296 2349.73553 3128.954729 2558.096494 5263.75461 2904.96823 48516.93409 2238.022086 290912.0394 3583.397936 PI(16:0/18:0) 148277.3198 120354.1988 153268.9206 16979.97118 11510.29881 153165.5995 17496.70368 279029.8511 187087.7591 8777.257864 3974.593938 218415.1628 11669.18748 147407.8925 184912.6766 37524.66563 775287.8366 61468.35959 34520.75222 44977.24192 158690.6102 115540.3804 2891.773397 4.07813e-08 2811.427995 4.07813e-08 4.07813e-08 211017.9392 400988.0971 22179.17262 137873.8463 111784.7681 14831.14559 187823.8431 409653.0603 43197.1333 178081.0241 5881.494066 152895.0347 43684.00218 18588.39599 13699.95872 4.07813e-08 4.07813e-08 4.07813e-08 153354.6491 516290.7923 184547.6009 303565.7282 114402.0483 113011.9838 216077.7735 6342.311521 42596.92573 Phenylalanyl-Serine 10047.191 15489.23936 5373.242841 8518.807323 3716.858079 5406.845524 10934.42469 12801.72329 16212.30939 2681.626348 3348.405315 2971.086039 2630.700459 1763.625332 3716.179062 2930.665825 3993.078762 2133.72642 1387.495483 2432.17217 5957.504969 1428.142584 1982.71027 1331.000838 2327.998377 2324.04883 2299.79699 2798.352398 2932.084583 1744.551061 3691.207262 2358.919799 2614.301856 3020.82933 3756.448655 2570.201847 3608.766609 3205.900831 3926.914433 3552.821587 1252.097609 1493.993863 1480.515559 1928.058901 1392.420772 1627.922499 3323.918785 3014.443349 7780.562425 13444.77027 1600.914096 2703.769422 2959.396353 3119.330372 Isoleucyl-Tyrosine 3862.375443 8389.39834 2829.343586 5183.527265 2621.602812 3426.594022 5869.180919 8849.782508 9138.768373 812.8009036 971.9206578 753.4456157 752.0090745 279.0608447 1455.636556 834.1646358 1426.393161 831.6034482 1007.853468 1783.716647 2878.145646 789.5659812 1056.39436 1263.192119 1525.899407 1467.034699 1082.511139 856.3069709 988.8125325 280.5656154 1230.813624 593.7786369 617.1876337 1033.023439 1830.579891 670.3532251 1677.922183 1548.522512 1736.947475 2748.049709 1024.837375 1096.434526 1094.584611 1149.0581 1340.818266 1066.086284 3297.982717 1468.520935 5281.910066 8185.713387 188.1737799 1033.3611 669.4566088 1215.770182 Paracetamol sulfate 48.45360571 2141.876118 160.9911115 315.2346494 326.6358889 224.5251299 47.23610976 108.7647937 332.2614046 4.07813e-08 4.07813e-08 81.44600814 56.47041418 214.9787197 29.88339203 122.4662988 144.9980542 97.98752889 74.26730248 231.2682772 44.03025745 47.33722803 36.17123752 18.92623641 57.58006709 11.96199958 4.07813e-08 250.8047079 595.5273201 27.60471813 21.87946855 440.8409425 52.99999741 20.91042455 46.06698607 279.2366796 40.30913303 56.64953409 61.20359992 60.21057225 77.10020423 79.16689869 49.46597471 4.07813e-08 30.6985814 170.4989063 73.30846765 34.68072907 515.0502981 1012.761081 24402.54402 116.3732977 13584.69435 416.2216161 2S-hydroxy-3-(10Z-tetradecenoyloxy)-propanoic acid 145062.1057 123061.1252 126954.3387 124028.1167 147782.231 136512.8231 139943.0742 109282.0785 108350.6189 51693.7229 46735.84101 30340.43718 49627.39024 29001.74082 52576.55858 15917.81163 22663.85389 35552.79321 223136.7898 206532.1655 199937.4659 196184.221 254864.105 213842.1642 204814.5889 199993.9258 197006.5874 23420.25346 34232.54109 29641.34126 24265.40252 38872.88644 31368.6707 33612.53666 15574.30896 25975.43437 132534.6332 178270.3829 153974.7436 177431.7188 212818.4785 239718.216 193875.8018 195441.1673 266402.8297 153804.801 134314.7617 159252.8736 117593.0861 106128.2517 37785.56062 142380.607 26710.98857 135888.3476 7Z-tetradecenoic acid 6347.090921 5131.229961 10169.15085 9547.806809 7242.41756 13107.17888 5413.835848 6508.231685 7124.247361 4.07813e-08 4.07813e-08 60.77544381 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9194.909154 16915.13746 9091.894453 11886.79109 11334.93921 23044.56527 9791.147223 16756.10425 14874.37251 4.07813e-08 4.07813e-08 4.07813e-08 99.12080036 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 164.8353086 3343.942013 14138.23779 10056.05384 11235.0727 11701.58851 10297.11326 23075.60698 15420.5836 14030.00512 10634.36012 9073.14477 9968.648527 8030.635909 7781.806073 4.07813e-08 8617.142182 82.52766031 11000.04014 8,9,16-trihydroxy palmitic acid 49730.48466 46681.6697 65240.90605 105745.498 83995.57931 43300.33873 27292.48757 74529.62012 29243.50362 24534.83385 49523.03765 13114.71735 22860.34996 14287.40447 4.07813e-08 17062.034 6958.565248 4.07813e-08 52089.89791 52982.04707 49781.72356 57483.78195 77641.6009 44937.63777 27588.05422 31394.7179 25340.27187 1598.661356 27001.11078 30848.15772 275.2327556 16361.67732 4675.493723 2842.739441 7605.870409 6786.479053 27483.63775 75426.67189 50314.03871 66044.44345 66597.12018 51044.74304 43555.51781 32523.10929 61026.82216 22172.85126 32350.67039 39472.78115 25674.31518 27288.26138 4.07813e-08 37703.17522 10435.31065 36157.46131 Dinor-PGE2 305.0927565 436.2116367 387.6451939 247.6751755 664.2579615 761.5370415 544.037339 4.07813e-08 1097.630139 4.07813e-08 92.92060454 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3017.835691 2640.629553 1558.494291 2064.893188 2959.009557 1278.870631 1867.711217 1732.519956 2015.885311 4.07813e-08 4.07813e-08 4.07813e-08 232.6221908 4.07813e-08 4.07813e-08 268.1356386 4.07813e-08 108.3533692 754.8856858 1344.841724 867.5451896 1732.384057 2644.205086 3153.762686 1893.892197 1720.637703 1715.324021 1074.720957 11031.77423 1900.67176 13884.20771 3555.252128 186045.9501 2784.828699 804920.4086 12511.64936 2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate 31781.37298 47182.53478 29931.4181 51607.62091 77434.95708 57845.80758 74416.21337 64030.08722 69079.40658 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 82701.44483 83655.01842 47339.05551 84518.86002 71818.21963 112860.6194 104097.0293 45739.54235 24648.36325 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54345.36732 65908.20646 32927.26317 86402.45083 83467.00009 55220.22267 106138.508 36866.05365 71483.81088 174914.7294 203741.9556 17925.92773 33067.49636 49454.17523 45634.45106 20126.58873 24545.99837 37738.27432 D-Glucose 306731.0958 316551.2782 277120.8662 368249.1616 376957.3563 288054.4616 396310.9532 442529.7872 283629.8458 67164.31466 54694.3502 38129.68672 68250.41691 39879.63595 44030.78199 27764.88567 24675.92191 49068.40438 93101.90939 64068.16137 110902.1263 115723.7327 93427.83456 69756.2634 138077.1366 21542.98448 107909.1671 44725.94873 42182.55574 23556.94825 39150.16045 26038.82279 56935.18319 24578.17611 23861.5104 25136.18677 242362.5572 174592.3987 234704.4156 154723.6217 144635.4962 93035.08771 61346.13321 43520.27611 41563.1055 79934.36439 59998.46043 194546.6215 231538.0396 271630.7608 25772.05138 158932.9012 33353.75981 148055.2557 Leucyl-Glycine 25345.61321 36495.22157 14311.73066 24471.5907 10051.67061 14377.21996 34347.90542 30462.6547 34373.44559 2023.776279 2309.922377 2789.540607 1808.087208 1536.21344 4218.362002 3094.703971 3263.365791 2554.011125 2436.226293 3584.752119 9089.928182 3114.599454 4752.600294 2869.558117 6255.735006 5107.890544 4195.566926 2927.737906 2686.982449 1420.05079 3507.074186 1594.515343 2265.674506 2930.819433 5490.821765 2999.52969 10264.54022 9746.861093 10533.22185 6605.605112 4345.969126 3532.408868 3273.516162 3842.138232 3297.299071 2433.731489 6961.559163 5861.406122 15603.53706 20116.57734 1535.576218 6462.844492 2012.208597 6263.09269 O-Phosphotyrosine 43646.45835 37984.39428 26839.93002 40430.81346 27892.81842 17795.492 25184.77902 33908.34949 19594.84842 8647.925999 7252.016966 6776.010043 7520.488567 7023.872504 8715.778166 4452.106235 6258.554797 9177.771545 33002.30097 27764.86815 47235.12659 62236.83056 42642.71945 2938.947925 46473.47115 45980.67885 8761.811885 9039.181977 9613.88587 8238.130339 8543.402628 13547.32964 10384.2231 11383.66897 5586.104731 6997.603421 60386.60697 33981.00661 46487.0707 12598.40641 56012.16979 60230.89532 2871.025391 39009.40497 64584.91221 1957.564161 6300.858545 18105.96318 49981.75167 35546.19322 13267.38891 16482.92345 6928.386438 17236.43838 Indoxyl 100.4326462 1155.546637 11.40895478 5.951694913 1.449121497 4.464222307 5.631879102 9.808182457 4.07813e-08 464.6065042 740.6726056 5261.367893 683.3400301 18.99308696 261.7120891 1200.813601 8325.739875 4.07813e-08 16.48730496 5.192474471 4.331579169 13.62007997 16.17774567 23.14889535 10.15071036 7.823512942 13.14575139 1661.455713 1083.061286 6272.732974 295.0436802 135.2300946 810.2256728 2202.1402 7783.24347 0.504843648 20.2064309 5.572255337 5.574969065 2.306076125 20.57029557 15.69087891 15.87845801 13.248548 30.69079958 4.07813e-08 5.431266331 57.01251215 101.2533403 14.24989712 829.7019099 9.846130238 4772.119574 6.999710541 Vanilloylglycine 2966.839032 5966.46764 1833.559392 3228.723057 2868.320732 2983.745276 4973.184784 4247.686065 2120.341619 1245.403957 703.0398097 1228.295582 1369.22115 1324.744333 1221.987485 738.8536236 4313.991153 2647.124777 1615.852984 1192.697823 1496.462975 2690.996755 1834.960041 2101.674802 1744.884265 1326.545619 1743.930195 884.108148 1210.521644 2308.812881 1585.200773 1005.383651 1328.688811 1656.080741 1527.410476 799.4196734 9127.385284 2140.724826 2368.57804 1845.534084 1362.432106 1984.486304 919.7986621 2087.790177 1472.651622 3263.355424 2446.878918 3876.216505 3448.353728 4625.276632 1695.246379 3058.8658 1110.942306 2165.592588 2,6-Pipecoloxylidide 43881.56483 60837.22348 29237.95476 50797.00144 22781.80379 26063.79335 48650.99668 58526.00729 43546.52594 19780.85062 22611.08956 22565.94755 17502.44922 16649.42035 26936.26385 24979.83635 29253.61495 22471.66166 6971.632295 7866.531925 29855.92463 12617.35793 9917.287292 8261.82726 14075.29128 15103.64036 11486.65169 13930.11919 24644.89038 17551.87882 27776.3919 25399.04248 19868.6282 25950.39997 28667.73895 17697.3104 24885.39405 18757.11358 23028.91558 21158.79518 9105.007499 8045.92228 7857.268434 10767.81525 12373.96672 8434.594099 16281.84025 10816.97978 30084.20173 78248.94136 13814.00835 9564.716179 17754.92302 9276.29449 Lycopersiconol 140.024973 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 212.7241455 4.07813e-08 272.7709646 4.07813e-08 4.07813e-08 4.07813e-08 48292.11481 50331.08745 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 138.4860911 4.07813e-08 132.4158467 122.7252769 106.8537873 4.07813e-08 36062.95831 43357.23898 208.18933379999999 570.0264478 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 (Z)-6-Tetradecene-1,3-diyne-5,8-diol 6369.287631 3364.882681 4002.936303 5471.30291 9046.793329 6505.99484 5000.046753 6942.809901 14501.1619 2888.404472 825.5128591 1014.908577 2678.587851 1691.598106 1092.20902 1602.30483 4.07813e-08 3608.663718 6543.466436 9879.727338 5243.572743 7443.244514 7954.147612 6742.569578 6717.784677 5313.733871 4501.992002 4.07813e-08 518.3163013 118.907128 564.1435503 438.4047263 120.7342834 1145.40978 4.07813e-08 924.3408354 7140.471429 4920.185652 5225.464514 4461.956112 6802.985136 9335.861956 7115.241188 5584.840813 3197.229459 11003.24856 6842.180169 6062.9821 4051.612183 3143.247224 2373.04637 4519.639559 1098.508278 6820.879734 9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol 3060.387709 13568.69374 13460.83738 23944.59784 25836.45033 5781.045596 21234.35143 36827.0687 29208.43658 4.07813e-08 4.07813e-08 2669.881142 4.07813e-08 1979.468892 5193.166437 626.382624 5593.746167 16637.91795 13130.14902 30946.42758 20647.39647 67686.05443 58890.24267 15472.17683 34830.18505 26699.80447 20187.49926 443.66306 4.07813e-08 4.07813e-08 532.7819935 4.07813e-08 4.07813e-08 4.07813e-08 213.0814326 4.07813e-08 11469.76328 25918.49944 17781.2949 36726.9825 69594.58779 48935.61032 13630.68716 18984.61966 38428.74352 62244.6061 56938.53904 26041.97805 21870.91963 26967.7102 17601.66578 40715.81994 4012.326252 13016.87425 Lithocholyltaurine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 210.5827517 4.07813e-08 1482.617469 3607.047092 3575.427412 123856.3781 3678.15655 149454.339 54758.83795 54542.07828 24289.14895 6471.581166 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 400.1208265 4.07813e-08 4.07813e-08 47829.02224 4944.445377 6181.522465 21900.43164 6593.255464 3717.113067 9401.824877 102737.3766 6157.387819 4.07813e-08 4.07813e-08 4.07813e-08 511.7987311 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1106.564464 323.013185 185.53469 147.3366505 4.07813e-08 823.0154216 4.07813e-08 4.07813e-08 4.07813e-08 Lysyl-Isoleucine 10145.09621 13119.59684 9440.39009 9597.22816 4428.800731 11588.98221 14498.16077 20011.6588 11518.42955 2724.546637 3694.758198 2435.263039 3221.518584 2492.765048 3947.763146 5015.542666 1517.07636 4754.933997 2456.19354 3815.357094 6211.486362 1774.652725 3038.576221 4172.715592 2714.179992 3815.25578 5672.575774 1443.111432 2634.052191 2501.848245 2901.884337 3195.382593 1824.578146 5472.347522 1436.355746 5139.500053 5939.635311 6941.065051 5986.957493 7240.197081 2234.670305 2423.948778 2693.11968 3315.055767 2407.515312 3461.154768 2907.193992 2376.23921 4637.102396 10792.30187 1864.05993 1523.622094 5231.037364 1986.235123 3a,12b-Dihydroxy-5b-cholanoic acid 947586.3523 2637047.532 5962035.359 4606275.958 4184860.48 9363884.1 6477708.995 6450778.34 6036822.225 788776.693 120588.6406 1598140.426 556944.2827 1626313.511 1848170.663 780582.1693 2909870.472 1239837.066 9183204.596 7160187.581 6965771.841 4713667.344 4466457.581 5067937.326 4569463.376 3607047.853 1187755.386 549938.4341 1042433.348 573955.5218 1177927.931 383959.4881 407988.0824 1241591.276 1583505.475 1317772.192 5168111.614 2026446.057 5115416.437 3449689.041 5436432.151 3362831.653 3855602.909 2663196.067 991245.5181 20071935.85 14738259.34 10135567.53 4849989.279 2535957.649 757104.91 8642495.247 471503.9866 6094628.071 DL-2-hydroxy stearic acid 4.07813e-08 4.07813e-08 4.07813e-08 105.3750837 118.0460295 160.826662 225.013508 4.07813e-08 101.3861233 41699.79095 39715.82498 11681.20435 29099.80465 17962.16941 1660.139375 71503.72055 16294.83012 10721.08145 2821.602297 7350.435289 5151.655581 89.92872086 88.0978888 196.0228164 80.96628521 4717.677796 4.07813e-08 3150.769796 22892.76198 32010.91984 17358.13234 21595.12662 23551.68166 896.9288974 24969.89235 6645.554409 4.07813e-08 95.44288669 534.9552369 205.3931033 896.8290676 4.07813e-08 233.7959604 2817.682991 216.0168644 353.0414692 15183.3789 4.07813e-08 84.30201054 103.7577171 2312.673655 288.9829609 43266.02478 4.07813e-08 Leucyl-Tyrosine 5735.43245 10631.87394 4143.331492 7652.671332 3174.0018 4647.77588 7079.954995 9258.833495 8256.176678 1419.201778 1460.968239 1178.493177 1330.934841 761.8929567 1484.734093 1396.323491 1660.729547 1497.801906 2045.060797 1531.327815 4572.584569 2609.113325 1615.678034 960.7575065 2564.467456 2794.477877 1580.920186 1354.921147 1818.157716 987.5350505 2097.486746 1271.433968 1073.318471 1108.575896 1890.059125 1065.137116 3571.684754 2945.1668 3784.697545 3871.049705 1898.748569 1612.544748 926.5690514 2865.249064 3105.067067 1146.405091 2639.954202 2190.867488 6373.961328 8771.714156 1151.57842 2079.486584 1566.157079 1401.878966 Lactarofulvene 19126.91592 13421.18327 20249.26012 21770.14414 31788.79925 26036.88409 23051.58494 18980.13546 14872.20703 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37650.68541 37968.64347 36529.88264 35647.55988 44760.07987 41857.94107 33831.6193 40709.53858 36860.1958 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16193.7039 29469.67843 24093.86805 38309.27142 38940.95849 38865.35634 37997.75997 36644.07363 37850.28294 25625.24747 22192.88872 24556.23485 21175.00993 17467.37128 4.07813e-08 23761.27122 4.07813e-08 31445.57392 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one 9231.135665 4473.411032 6982.83537 8361.678053 16820.2522 9245.206686 5698.371575 12033.8287 24933.61991 2052.195401 687.9039123 1553.838298 2114.456708 1170.861032 923.548133 472.4980138 4.07813e-08 4442.940249 12467.00076 13144.18187 11215.34471 12929.21427 11425.6002 14052.64991 9463.039587 8670.005509 9177.356998 4.07813e-08 2277.946833 789.0815747 1841.563401 1424.425668 374.1486532 2805.939766 65.630476 981.562533 11090.29337 10264.64618 9693.160446 10782.46329 12824.65465 13524.68773 13374.70222 8145.73326 8997.571114 10734.63101 8609.202521 10820.87108 9500.053716 6942.479049 2043.730252 8597.513378 1011.742962 10571.2629 Convolvulinolic acid 15151.93633 11759.99648 17127.75822 16685.10605 11446.15016 12255.44121 6633.725021 4741.487849 8145.87198 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28319.46239 8653.136925 14265.18243 11286.50062 31326.89202 31502.56815 12261.01202 6310.074349 5309.216913 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3011.942306 14615.14986 13545.75659 11357.44967 11750.07026 28355.88963 26760.02507 7447.61763 28782.3822 2721.212571 2165.561895 4237.528584 6817.29806 5952.949394 4.07813e-08 14173.3787 4.07813e-08 26180.5822 Methyl beta-D-glucopyranoside 7029.518657 19892.59124 6063.967635 6143.396048 7517.813133 6500.52266 24779.62383 6974.587689 7973.101859 18462.55463 16217.47407 14661.20705 18581.7545 12930.16821 14964.55547 9533.681388 4303.173537 17061.22277 8311.706552 8729.149803 8550.157145 6104.667574 9092.639706 7507.973579 7403.599626 10524.08652 8768.88048 19229.54728 39436.78483 12963.27975 56633.30682 146918.9463 25257.23285 92025.48518 8714.448654 15141.8009 15302.40178 8074.366043 6159.488911 6281.308556 6293.823372 6893.47263 7352.950322 11932.97643 8733.653471 7769.774277 5966.687214 5687.381806 11743.13811 19404.15959 31859.07648 9204.988451 22159.66738 6867.335017 Erinacine P 2150.870604 28633.04199 3907.550536 2332.735601 799.3952325 3505.801527 13027.14642 12206.5806 7960.769048 83256.87537 90100.78652 69653.80237 76775.55199 75585.83353 79319.21036 44853.6755 43659.48995 94395.75621 4.07813e-08 20.56911789 659.3369883 2596.596586 4.07813e-08 4.07813e-08 1573.126527 518.9962185 785.9871788 63524.04209 98804.96925 72150.85925 101445.515 102730.7106 72365.37344 152493.4293 61547.45607 49123.34608 1978.802124 1249.784364 697.2759766 103.030715 319.2492995 4.823691888 4.07813e-08 445.2884691 165.6254541 4.07813e-08 275.8555332 2051.190083 9073.274954 9013.708429 92822.87858 7518.496669 78476.73913 9051.435934 Muscomin 99774.44847 79725.30996 150358.9474 182899.9859 320651.708 162124.429 136578.1338 109195.6361 86416.38026 915.0465395 114.1491164 74.53694945 339.4888731 159.3264477 4.07813e-08 4.07813e-08 2345.167078 644.2055611 198819.8466 213729.0446 237272.0566 202552.163 458521.6147 234816.9778 270549.6945 167221.924 231279.154 2065.723517 381.6825965 4.07813e-08 1037.907401 256.5288256 19.90949764 566.1187362 1674.380292 514.356346 93333.55865 126835.8491 148989.9767 263538.1141 206796.2457 363258.1785 228519.3281 162098.6151 196366.459 185632.7456 178471.8631 155064.1472 213344.4514 182002.0614 1293.537777 228338.5978 960.950343 200702.8157 7-Epi-12-hydroxyjasmonic acid glucoside 62.02541888 99.45813011 25.26695829 27.05314473 8.576669815 47.23442 459.7957715 28.8596502 22.18120369 1962.90813 6676.107062 1357.02783 1786.23905 1979.421329 2114.761339 5512.711612 6796.270832 225.5393664 73.31759888 305.2908292 55.50013889 91.06755783 73.61156819 63.05174429 50.57419882 61.63033895 84.75186218 5735.580331 566.6108134 7481.29318 36.5501581 10703.08271 5852.820904 2773.003587 4492.238812 5242.571525 259.5026707 70.10196685 37.82122764 48.34651781 44.16221377 73.6438309 55.08262297 21.4784628 109.2860855 43.659854 86.59372146 93.58347562 127.2956675 27.31598952 48522.73957 74.27753899 35089.88872 3779.207966 8Z-tetradecenoic acid 6993.381836 3888.98267 3926.184765 5551.625416 8663.114422 7652.793938 7714.632923 7343.164389 3032.45349 4.07813e-08 4.07813e-08 85.0348523 75.76621638 68.5086613 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14121.69869 6914.723698 9494.364617 9067.402164 11341.5866 5744.008441 9548.797916 8776.822239 10382.37605 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8930.12916 7720.447883 6765.951193 7448.693553 9281.975735 10991.4631 4614.309941 7655.556132 12164.57432 6891.603599 3946.556961 6569.602463 5241.38612 2947.912531 4.07813e-08 6601.958172 4.07813e-08 8311.063889 Ethyl 7-epi-12-hydroxyjasmonate glucoside 4.07813e-08 4.07813e-08 309.2407093 4.07813e-08 175.8908935 323.4499628 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23622.50457 230.2424468 4.07813e-08 362.63967 186.3966057 154694.3461 119466.3216 690.8910249 1061.520016 821.1795825 228.5209771 832.861254 838.3356114 742.8679484 403.4392856 1030.326803 996.5714595 328429.8585 153.087218 34021.21548 1570.676812 106773.2731 87820.03467 284.8407577 105237.5423 121.8369973 262.6522019 264.9851013 564.7167807 324.4493021 478.6669493 1082.536796 425.1688012 616.4181314 659.2722753 372.7737712 606.9409808 481.3327586 157.6113743 142.6413794 835.0008067 206.1424156 50434.13982 265.2113255 2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one 52866.46747 43395.22165 53296.01103 11696.41409 7107.011499 61458.00643 9678.628166 72468.12103 63581.05188 42133.94322 16116.73003 221590.9444 40717.67526 252510.5274 217508.9107 136618.883 203180.6067 246464.1519 41652.18046 18977.15616 55611.78635 27062.89538 4951.979103 535.9606834 3840.495515 694.8701551 636.6241399 135844.4918 196839.1129 32983.75916 161716.2959 62539.58576 38254.42244 176124.3624 189367.0049 92864.2691 55403.78127 12824.59043 72475.14167 20648.55128 4888.057891 13244.53977 462.6061523 566.6571536 453.957049 62064.04137 147514.6442 70417.8706 97539.00981 39354.85652 69084.6166 85769.6474 23919.71479 42902.28021 Glutaminylproline 3425.836485 12457.37017 3858.111019 5435.077995 2986.609982 3723.523343 7778.609848 22158.70984 17818.81363 183.1829533 179.3209472 103.1852019 4.07813e-08 54.91496698 245.701601 94.80926715 146.9849171 4.07813e-08 1125.344739 650.3601425 2090.430743 1393.945512 3852.627325 1324.208991 1204.815612 1401.003486 3624.771862 454.0164794 237.137152 4.07813e-08 139.7445611 417.2890697 319.9192115 362.4700942 0.675243192 55.21652553 1283.981446 2751.129288 5100.555654 3383.632386 1722.917756 1723.454982 1545.087927 1672.547146 563.0805551 597.5599302 1082.273137 4356.146089 6333.2857 9092.002647 309.4779868 5801.08786 267.5792199 4967.215467 Isovalerylsarcosine 240556.7035 177563.6753 221037.6256 299914.4201 205622.846 172261.5588 208134.0452 482853.5158 383753.8142 14782.77867 9317.180644 25841.16665 15790.53048 24121.32537 17864.14737 18945.91833 20073.75185 54953.82621 173933.4969 192701.233 215107.5746 78505.69702 189885.6991 132327.4205 119592.0623 73188.16485 139810.7962 28840.25006 20949.27848 20571.64443 36884.52754 24666.77029 19544.98865 22771.56826 21457.66329 35579.35318 158219.652 166132.8261 257644.0834 220513.7217 184952.9113 131921.0191 212851.8824 117743.8254 35802.69791 279318.7488 122574.1305 344689.29 289387.6627 229495.72 24110.29298 305120.131 15334.41749 318956.825 4-Pyridoxolactone 1722.739439 1312.571409 1700.567283 1566.489907 2056.995663 1964.518258 1855.521221 1621.955042 1418.106761 523.273829 478.617021 490.2764215 656.5872193 287.6119955 450.0300334 128.5130173 155.0715064 386.0311467 2644.081904 2739.785463 2481.343919 2497.737346 3267.528997 2889.342436 2550.334046 2949.951664 3017.958739 522.3014332 458.8036333 388.1228066 320.4989229 607.108413 419.6642639 724.2750016 223.0928396 362.551139 1887.426058 2231.613524 1937.140153 2515.813225 2725.088951 2819.750531 2943.257337 3015.429705 4098.335457 2085.408961 1554.347933 2172.272469 1748.075794 1642.955122 668.2784918 2082.346486 476.5496192 2066.051093 Pentoxifylline 3330.503434 9445.584386 2387.383362 5738.673543 3222.402142 3744.853324 12187.14535 6733.223717 5010.347741 133994.6144 168305.9888 177681.4208 115225.9294 176379.7218 113458.6554 112757.5446 43356.03105 50683.39213 3928.43812 3238.073812 3060.478118 2706.985871 4011.961412 4087.352769 3996.826506 3703.248996 3745.553549 105070.2877 140395.0131 164330.0676 29691.63387 25455.25886 147752.5041 234553.0514 50505.93747 87057.42223 3146.087304 2785.032026 2262.97555 2777.327698 3762.49755 4438.161528 2731.885995 3872.93871 4948.331059 2349.819243 3219.876258 2942.851711 5176.497437 11324.83649 65267.377 5917.079627 150385.2496 11502.20798 4-Methoxybenzyl O-(2-sulfoglucoside) 4.07813e-08 103.6565802 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 112.3802985 4.07813e-08 7859.214596 10634.87185 29344.09635 7644.88473 25208.63157 12182.19378 17126.32213 5506.50403 12261.28765 4.07813e-08 4.07813e-08 0.085035247 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9027.103684 11357.21574 24457.71251 8425.413337 12300.12539 22815.30257 13152.39318 17003.93398 24891.29637 4.07813e-08 4.07813e-08 4.07813e-08 53.39233956 55.82575783 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 89.8395743 968.4419283 13161.20678 81.48393386 9542.609983 4.07813e-08 {[1-(2-hydroxyphenyl)-3-oxopropan-2-yl]oxy}sulfonic acid 1525.233641 14860.19131 913.1646739 1251.221073 1299.86172 1746.108759 6804.354538 8883.057097 4649.808239 2870.15586 2377.684668 1305.63879 4046.110951 864.6108509 1171.597564 244.6971765 2806.265215 5678.599552 4.07813e-08 4.07813e-08 4.07813e-08 358.1322197 4.07813e-08 4.07813e-08 233.315988 56.29485036 4.07813e-08 1146.759103 2841.268677 10203.88741 1538.297432 1637.11577 804.0055306 1943.705552 1447.086892 5643.921597 3059.275656 4.07813e-08 60.64037662 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.66391151 4.07813e-08 4.07813e-08 1897.097671 1295.42756 4751.745424 11641.04576 1660.852447 2017.915838 1939.446142 2238.711657 Hydroxybutyrylcarnitine 2827.974243 1732.588726 2877.438809 2739.736932 4260.808939 2564.82441 6927.64736 5878.479056 3080.425878 223.6910929 268.3156393 742.2288876 434.4183438 257.0630093 421.9420621 428.7707983 381.2059773 148.3065537 4364.213932 11035.43821 819.6817306 3756.147127 15332.99665 16789.87535 9921.096495 3356.794301 4860.289292 539.7114489 532.8136587 852.9118017 669.4348084 1294.038617 402.1382006 567.643011 549.9638589 808.6797857 4767.999995 6375.137071 1454.714007 4147.829943 5752.834077 9445.613523 17169.96025 3446.399718 5017.684383 9185.045402 7213.858469 2098.435905 2245.344748 765.2819798 508.7650365 3361.575287 615.8168447 7130.649294 1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine 664.8267443 1702.576343 380.0663166 4.07813e-08 955.2895914 1930.488474 1230.243151 4204.062004 3431.522671 662.3394371 4970.51999 199.7344475 855.3514295 158.6874313 1343.952343 155.7512588 1387.481537 338.0723192 448.6129773 291.7888476 1567.889495 838.0937831 1842.881801 433.2719 446.4082006 4.07813e-08 463.8461981 512.8341432 774.7366257 213.110135 2.049590622 548.1401911 1080.375461 1548.800447 568.371802 24.68761331 287.8274632 241.0455228 591.9139184 65.87037392 1485.228036 328.3422132 397.4447802 201.4340819 350.597208 317.5129167 8758.44242 1732.608777 2769.700891 6395.331772 59978.11622 1565.3462 8779.996639 799.2960851 (ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid 3592.058822 5737.07206 5911.100897 8050.093916 8612.089709 6601.623611 7606.977332 10241.19833 8302.143478 4.07813e-08 102.1177242 4.07813e-08 4.07813e-08 4.07813e-08 1.5689432 4.07813e-08 4.07813e-08 4.07813e-08 7277.995575 15016.58798 8392.467579 10908.3795 7417.018414 12937.72288 13576.77555 8880.221891 9667.716435 0.182408975 4.07813e-08 4.07813e-08 4.07813e-08 0.969067674 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7207.275929 9563.304884 6639.771024 11150.11865 12749.58358 6195.898366 11830.23575 7850.585737 18640.74421 9155.190083 14445.99491 11580.44632 4020.204286 8862.160265 5151.204305 4459.392076 577.2680733 4664.881983 16,16-dimethyl-PGD2 146.8649218 4.07813e-08 264.8568721 241.3855711 704.6974175 1037.336594 416.6801551 157.0489024 1142.390878 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 880.2363423 1481.939824 562.5001923 2431.468832 2024.439086 2346.648646 1752.801906 99235.3058 228355.5046 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 228.9605881 791.671156 373.7877434 798.9493691 2732.412622 1603.581141 2495.32494 81208.0445 183735.0627 3547.132655 2517.204257 1476.065914 894.7334992 91.93420593 4.07813e-08 435.2192868 4.07813e-08 515.3697722 N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine 4.07813e-08 217.8588757 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.1655573 603.7982323 7767.963154 6128.651982 686.3820469 25246.04895 12711.70976 18743.30934 112687.8927 1508.709164 156.3441255 193.2416685 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 208.5744755 60682.02819 1278.777739 9742.53919 19239.01433 64185.92148 18864.12454 5312.329998 72106.28057 5022.581252 4.07813e-08 4.07813e-08 4.07813e-08 184.3188848 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 207.3581386 4.07813e-08 8837.988015 175.5245723 6132.982561 4.07813e-08 alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol 1374.067864 6279.503365 4.07813e-08 1111.716486 55.30013961 276.281231 1943.801247 1595.234327 510.8220359 23589.80534 15862.40067 11112.50396 22922.58376 12136.34651 20745.72143 6627.63271 16705.1155 19434.68914 326.7359181 43.30662394 407.9206952 4.07813e-08 52.38242499 1.263087707 99.31193178 652.8884632 213.8915556 21630.73944 22534.55701 12981.19931 22594.46138 20324.01092 20721.97569 26983.74119 10983.67532 14996.30927 6149.061976 197.1989624 1033.338058 252.7412997 63.44814377 260.6943574 43.35435917 484.8175295 208.2086301 15.72385029 117.3735256 347.2395175 2494.683703 4804.971847 23440.35254 1389.447427 19482.70889 1586.984981 {[3-(2-hydroxyphenyl)oxiran-2-yl]methoxy}sulfonic acid 8030.36044 54765.31899 7434.027494 9378.591423 11284.22722 9223.443204 30261.75053 28381.07302 20197.26837 1340.227123 1173.867955 731.3236975 1851.592174 674.9989506 229.9225271 144.7471986 468.5354402 253.986257 626.5542392 751.1646401 1215.675069 2840.875342 4.07813e-08 17.06837336 1864.536728 1541.3711 4.07813e-08 876.9961582 874.652876 930.4691632 1234.09172 1024.143779 422.0201622 732.9479367 930.7415202 1932.512109 14655.07322 1311.511403 3215.597717 45.59688095 1884.516909 728.3838647 4.07813e-08 912.3602294 561.7080225 4.07813e-08 8398.284436 9970.003998 20647.50874 50439.95557 9354.348315 9207.768035 28017.05518 10558.23061 Prolylphenylalanine 31977.05294 44377.74736 22730.99517 25293.00138 20709.42912 15508.27036 33653.95317 46633.50186 68993.98076 5816.998141 4869.746791 10668.91423 6746.50625 3793.9969 4917.363008 3428.160301 1830.175167 6846.631008 3821.017439 4114.556892 9696.898447 4483.946247 6356.755481 6193.970395 6950.723781 7101.602487 10325.87656 7157.64729 4340.56413 1346.361531 5192.004608 1761.871638 3411.29673 5473.814805 3718.486435 3593.866917 8839.582686 10156.54611 13688.46888 13400.33865 6733.514131 6971.912998 7824.257278 7574.586769 7317.583724 7438.396648 15959.91598 12924.25257 25024.16406 33770.61648 3995.611813 7603.212818 9056.291244 10461.52927 Crispane 28883.33171 18651.79419 14550.99432 33513.36601 18542.55793 28918.71832 14782.55855 39177.14251 15674.59238 490.5004094 3027.20643 239.282725 4.07813e-08 4.07813e-08 82.40313833 4.07813e-08 4.07813e-08 444.5952405 77193.12274 42408.49738 22462.4452 93372.56018 21049.40577 27275.17836 25677.30988 5098.735322 1250.097554 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 99.87837339 411.3177478 4.07813e-08 4.07813e-08 84205.05704 33099.29289 28234.01574 25400.72474 109471.9576 21623.62734 33839.92752 3743.969774 17960.93367 18267.48946 23997.39234 15892.45643 8765.179625 27295.60618 3147.829726 26592.27233 9413.931599 8307.272395 1-(3,5-Dihydroxyphenyl)-2-pentadecanone 4.07813e-08 531.9184019 281.6706779 1612.645925 2534.448231 443.9800401 843.9063177 4.07813e-08 4398.439167 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1830.798946 2807.478845 370.5442725 3090.915804 1725.29095 1463.868782 1472.781855 42814.93866 35585.68278 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 288.6651818 1511.075132 478.5047979 1355.264145 4082.520662 954.2685436 2017.042263 33761.98686 40623.51645 4432.484665 2019.263604 2296.848345 793.5434749 231.9787222 4.07813e-08 1317.067607 4.07813e-08 124.6800013 Telbivudine 146630.1765 248194.9168 179615.7009 115612.7467 102419.5774 108865.199 106582.6905 516293.7568 288095.9589 19212.7096 12630.45459 162013.6891 21173.06286 11718.49266 29600.47298 4430.080611 17692.44262 10224.24394 246121.3914 166023.5824 167117.354 112264.3413 90411.44116 177799.2911 153537.8259 37397.76227 62388.18058 26597.15032 29443.43198 7475.581636 44801.35419 12163.13608 9906.578974 15227.63614 29355.40529 12968.78587 171394.5478 142774.0434 121093.8235 206607.03 198131.7873 133880.8368 290898.652 47920.23232 40202.90095 458610.4138 230041.2036 632080.8136 384042.6922 634677.6499 19025.2923 473832.2551 81627.56023 176084.6068 (S)-14-Methylhexadecanoic acid 81150.0408 92550.38926 131550.0279 86677.2141 122293.7206 95176.68369 64490.29945 72596.96606 60141.7548 3531.773004 6040.96043 1076.314969 6568.983899 5058.498622 1827.506711 6952.920323 7239.767024 1848.210845 67388.05187 105354.6559 132865.7262 67567.70663 134559.9613 107610.7303 52025.25099 102519.5169 74218.39038 1854.400561 1377.665288 14132.99112 466.1843002 35339.60327 9716.811617 336.0025808 12781.52105 328.1759001 14013.60489 81033.5832 82734.13343 126927.8124 90916.21523 117239.812 109076.6587 76665.14014 39614.89626 60353.50451 59031.46952 95882.87415 55441.15299 116915.8352 4717.668572 112623.2538 3855.860804 77787.42249 1-(beta-D-Glucopyranosyloxy)-3-octanone 8462.362673 9248.396074 7879.157303 11314.16365 10341.8117 8379.098368 8941.819473 7166.550577 9051.710967 721.2341438 672.6438814 524.1824798 1451.512648 250.9394141 443.9655717 50.24785249 193.3467487 215.6658763 19294.99213 12366.153 27673.9986 12482.33505 17295.02417 13422.95267 12898.71746 7819.16824 9011.062285 349.771127 448.8622649 953.6593496 406.3783717 778.1227627 747.64129 1083.807669 172.8123866 1223.517376 6804.185379 10337.32821 9600.061557 11145.46776 13309.79651 17726.0894 11985.87826 7456.528238 9915.503296 10916.26874 8171.488498 9868.923648 7309.186792 8822.640731 856.8574652 10068.6051 340.6275586 5650.850679 9-hydroxy-16-oxo-hexadecanoic acid 406.691883 183.4110453 111.6847686 16984.06401 5247.780624 5066.341388 3242.671898 4.07813e-08 119.1792296 4.07813e-08 4.07813e-08 182.0021346 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 566.8673851 4.07813e-08 751.0358466 483.2657025 413.1591577 6180.758383 3322.944026 2219.138303 1186.043586 161.2990084 2313.990851 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 107.3432136 278.0043054 165.4176967 4604.249269 7076.383976 2282.693218 1984.268413 235.1970223 1013.760866 730.9143123 397.015431 1514.901992 874.6667094 237.6928574 4.07813e-08 393.3968835 4.07813e-08 778.6697533 Histidinyl-Methionine 29128.55963 8690.446373 7278.887424 11040.46144 10452.74319 10260.64571 13487.99023 7924.961267 8748.672584 58.69285277 101.2709173 116.6538026 94.24967134 1153.28762 369.8273068 561.7895031 280.427833 166.6455361 14369.53646 15277.63004 8571.456401 11184.14031 14406.55765 14916.31726 12144.61577 13007.30443 16836.1484 50.17351433 4.07813e-08 688.2252309 604.911556 165.6565888 205.40654 123.3056936 183.288064 277.5477269 7317.66698 13211.53978 6880.199227 8821.577536 12219.79352 13266.28601 13811.48981 11424.90877 27956.37049 11662.20595 14009.39513 7681.477844 6830.817538 4767.948463 111.817101 7288.696753 86.51873143 21815.85115 Dihydroferulic acid 4-O-glucuronide 4.07813e-08 891.2092007 4.07813e-08 4.07813e-08 46.62395051 4.07813e-08 51.94202549 143.0439112 4.07813e-08 43971.27747 29517.91587 2335.908094 44202.69857 243.1058475 27541.68502 4.07813e-08 26667.88369 61849.03774 4.07813e-08 4.07813e-08 4.07813e-08 180.0606476 4.07813e-08 4.07813e-08 4.07813e-08 41.08022426 60.33202108 40386.70668 46015.80071 1646.115559 33801.48374 48836.43915 19224.39494 50733.54 4987.945828 2827.892521 513.3706416 4.07813e-08 4.07813e-08 4.07813e-08 93.48896581 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 661.2676028 822.7120029 54730.31678 303.9689359 40250.88045 2488.984585 DIBOA-Glc 853.5167599 550.917411 790.9134616 439.5243293 1896.042053 632.4030915 388.4430995 1378.183063 1376.544109 36092.75745 23391.84707 1036.677815 34611.7839 1505.347871 1540.076371 862.8778289 543.1398887 788.49816 3002.843809 2599.441093 4794.413349 2038.167958 1873.961044 2044.977802 1860.259227 468.8046921 1495.253239 1543.240479 1502.654369 3756.726021 1557.763547 798.7707729 1285.234261 31014.28344 1160.512887 1787.695513 59.69104015 360.8923279 438.0505308 2378.219908 1760.405291 1962.501781 1472.49649 432.6200958 1406.584085 1744.918879 1457.065106 956.1004306 475.3850668 641.9647189 1185.185787 831.1839726 1396.022474 1578.369035 hydroxyisovaleroyl carnitine 1321.064302 3955.829736 797.7424621 851.3363604 6713.245696 1706.584809 3771.915637 642.2024133 681.2963102 760.9862774 4196.715318 576.6290709 872.4675399 441.487334 8539.618998 1089.98919 357.3601195 300.2716335 893.899086 990.6258882 812.2845839 559.1984926 663.1719304 847.2470194 627.5307344 608.0537163 1268.584607 152.8280366 167.4489702 226.2072614 141.485852 311.1967564 217.8264036 508.9361097 51.05591735 273.4865663 480.2422685 478.820755 398.0906343 537.3932704 697.7337001 716.227428 814.2858233 774.3182981 769.3312686 685.2832504 913.6998961 594.8543412 449.8412608 342.2729928 283.30769 513.1751073 292.9617346 1112.397055 Dictyoquinazol B 4469.456401 9257.742027 2053.447321 5437.918416 2014.60064 3103.356405 5808.889417 6144.183868 6906.517697 4111.904052 5787.462748 3246.213725 6710.796059 3628.86413 2514.593851 2603.636686 1887.173532 1396.690813 927.8492985 1526.573534 2761.691515 1140.702727 887.8977106 1424.661436 1105.303597 1443.980094 1603.496789 4120.299038 1420.812381 1080.294438 1987.737581 1241.483444 3714.878339 2732.650839 2655.961447 1584.269645 1603.373026 1815.274667 1932.66172 1802.597004 934.0714588 973.5468206 561.6076887 1217.950691 907.777741 1532.047031 5375.705855 2087.288544 5746.055699 22728.33657 1148.45639 1431.420356 22309.4492 4157.143162 Caproic acid 9421.685504 5754.507513 6892.851217 527.5291921 10018.06835 12171.92583 12005.99708 7521.957271 3144.150736 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3789.708644 10632.25429 6410.951319 8620.943279 3962.323976 2300.949631 6561.296387 6952.780338 9242.120033 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5593.464285 12793.13783 5681.958251 6622.842797 7796.343468 3651.662279 2583.861039 8768.802494 1322.68029 6615.317439 8407.11394 8317.824762 4518.848959 3501.53263 4.07813e-08 5991.063111 4.07813e-08 1633.763155 Frangulanine 9114.381887 10665.59487 22972.78771 19594.17889 17370.75008 16913.21745 18844.17176 24113.57836 26291.69295 6254.612582 4097.220886 57499.06604 6016.117974 68356.87073 91949.07306 21924.98513 122640.4895 110370.438 18675.10713 26038.83398 27822.92239 33737.96853 19820.09945 15763.61418 24785.56959 12962.17725 8467.237168 65531.28554 5137.646481 4937.106815 6120.641324 3727.041581 9068.152452 8015.075659 39421.40478 5916.483268 20751.85057 11892.65937 22605.28501 52013.50935 31279.70576 21061.531 13138.44697 11011.98774 11974.37147 29582.98347 33115.75038 58086.89363 34215.14988 30154.98615 30491.66623 29916.97049 1692.336756 19956.26971 Leucyl-Alanine 7345.238308 11680.96257 3245.866808 8715.209416 3252.824621 3845.996744 6839.0751980000005 8385.509851 6561.782508 1031.535812 1011.780011 1025.950427 1320.653804 405.8972875 1049.356968 1002.007953 692.1174108 435.9717571 810.015474 1368.703031 3025.400859 1022.182826 1617.746169 1119.915985 1662.858874 1223.613886 1233.940036 731.4230777 950.4182978 271.6431101 1070.102651 470.8848701 757.849386 679.776356 1296.216207 798.1579945 2344.825996 2158.146285 2720.583196 2572.515865 1114.218144 1031.948133 1211.013137 833.2570046 720.3986885 933.6090632 2228.439512 1618.440265 5722.794789 14102.07002 486.7187168 1546.365286 1018.309273 1988.6119 Dide-O-methylsimmondsin 5296.81988 9888.75043 6954.608798 6878.421804 7289.515551 4426.979134 4693.574944 5106.9975 5662.031012 24105.19031 12632.34076 24728.38289 26312.41363 20981.69875 20899.63658 16335.62836 53450.94384 33314.52573 4388.389427 6624.104437 8393.369996 4232.643602 4182.791074 4412.973703 6026.64961 4768.713283 5508.213207 25185.28997 22851.02317 28334.46966 26018.6625 37563.29304 20321.28227 29390.74303 24820.27816 38688.02115 8537.282197 4758.49764 10357.30618 6159.274509 3994.202082 7061.142962 4121.916202 4865.757696 5995.340529 6540.903815 3702.397422 4767.04701 6016.883059 5845.669372 40029.52564 4222.20855 27272.43485 7306.984614 3-Hydroxysuberic acid 9967.201988 11082.88012 12882.88078 12732.07888 13482.35501 10573.61542 10538.70659 7661.272253 6466.656656 3729.391101 4032.708449 3556.722607 3814.646237 3966.711892 3911.59704 4359.26689 2785.951082 4116.14601 12580.87921 13106.62539 12335.53868 11162.85921 10774.83463 10273.02398 11475.39716 9806.431425 10127.48007 3478.31129 4285.292933 4354.452926 5031.962275 3392.830682 3774.874708 4616.194936 4327.501224 6286.986764 11174.39188 10003.47539 9272.475054 9028.717043 10016.59381 10094.108 10257.54805 10296.77842 9674.318575 10305.13868 8813.405743 10476.37294 9291.299434 13097.08393 3354.565261 11427.90547 4745.248674 10858.61222 Kanzonol L 31.64919124 16.91766928 4.07813e-08 4.07813e-08 4.07813e-08 0.749757554 182.1915262 4.07813e-08 2.927874083 20513.00475 15675.33355 17784.73093 19870.56065 26530.73103 37829.19206 15619.53058 7667.720961 6645.177628 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.858484925 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 91602.82372 44166.1634 11452.82817 50025.05824 127899.2069 74278.34839 45450.05097 9716.132022 13418.95062 4.07813e-08 4.07813e-08 4.07813e-08 333.9140662 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12.63300544 204.6305386 4.07813e-08 4.07813e-08 283.0505431 37605.21931 385.2815481 63828.22193 1775.547891 P-Toluenesulfonic acid 22943.5632 15502.21985 11630.07636 92.86513212 63.9932808 11693.49835 13884.69157 17928.76128 16867.64471 20483.79852 11336.52366 1161.002258 19010.09636 123.2049812 14194.64837 284.3878879 12075.2366 12279.88405 1552.868525 1351.412721 346.5750027 742.0102262 317.1899887 1104.993968 761.4379048 827.6000247 788.4699748 728.124128 588.0761925 183.0200076 842.6842452 619.9141098 535.764283 1200.75014 403.4848082 190.3228863 1228.424954 727.2726985 1328.797597 374.5867793 563.7926116 517.9334437 987.8850803 986.0423966 115.8344449 775.6726065 500.4489416 1122.487731 730.147589 996.1626781 1106.397068 968.4979627 669.3190462 737.4716024 (-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside 6571.156574 14981.30649 5616.730607 10019.84867 6512.528498 5816.307743 15081.98284 16911.91166 10561.28403 52502.66498 42340.02447 28604.87125 46794.25909 22545.59222 15131.01211 14095.29158 9303.709211 18350.1891 3869.782766 1768.677421 4009.619029 2644.182195 3777.526715 3830.406622 2984.552712 2635.762207 3811.699234 11891.47154 27174.07816 27955.24195 7775.848124 7386.974045 23268.56368 58699.28883 4854.832078 10848.18692 1999.073678 2736.550869 4142.49723 3914.732876 3109.152253 3660.765007 3378.265948 2168.264348 3419.226674 903.2771348 4378.169893 4489.608493 8992.753891 13092.69604 6967.203436 6605.821714 31852.67542 6652.357031 Cucujolide II 7781.601732 9559.374472 9620.965515 16634.92526 10241.91004 8411.600255 13639.14384 11737.70394 10932.00702 47.63870239 4.07813e-08 164.6867318 314.7764212 174.1276566 80.60417712 61.50136639 4.07813e-08 283.9841698 11465.38055 15684.53182 11231.74193 10415.38571 8220.757255 12951.77273 12887.36998 20830.09276 9170.84957 238.9994882 72.7722963 86.78437675 503.7951702 400.1469349 130.8827276 60.54648865 162.0953713 302.1739645 15653.73789 16374.29812 10073.74254 7389.533169 7577.527593 10589.81288 11541.88185 19671.6983 12490.1794 5573.917683 7843.58883 10479.30459 6788.489392 11888.3896 380.9705981 7358.528783 284.2923555 7401.732217 Carbofuran 2311.84342 2393.962668 758.9362629 1123.21598 894.6245097 814.3502133 2504.36501 3865.43448 2945.61526 379.1438103 107.3861678 115.882331 441.3553397 86.96484299 103.7957547 131.1559105 4.07813e-08 521.9112465 951.8684147 796.6999412 9147.479403 2558.135755 8480.83594 1807.249243 6246.745677 726.7891792 433.5644422 349.338753 286.8038312 56.1240472 721.8069306 66.47875879 153.0288145 252.7126863 464.7516804 4.07813e-08 14041.98825 1272.60671 1185.163638 1495.637334 1601.958259 1685.911629 4977.363924 1090.263915 496.1834757 5114.296499 1959.607672 5326.375595 4347.277881 7625.366822 4.07813e-08 6911.601951 4.07813e-08 2977.656799 Oleandolide 66145.99071 51066.81797 59185.47832 58440.47761 69382.3401 67229.65184 63642.72971 55660.63332 51048.62523 13842.38822 12364.54298 7395.261142 16204.30012 6574.327785 8964.75613 2288.708787 1450.740969 11290.74943 118848.9578 116254.1207 98734.01243 104391.0225 135739.1646 112692.0856 97037.5602 110342.7025 123158.1213 1821.275581 11459.49256 12011.71848 8477.623425 16807.86399 8254.651127 12809.05122 1873.241788 7709.110682 71464.52232 97919.89342 83773.00299 99585.13663 118938.6175 123638.8407 105641.6464 104692.2954 156248.5876 97780.26814 79981.60608 86946.70489 62049.53741 60425.55048 16287.47254 74860.30676 13192.91541 84214.49409 Pyridylacetylglycine 6538.453417 6969.393348 6378.657987 6883.929963 7112.998293 6553.730845 7048.312965 3327.111542 3463.646935 4118.807596 3276.16196 3198.928639 3980.374954 2522.203765 2718.766417 1276.421943 583.4950962 1554.48634 9894.415425 9855.558767 9572.955357 8577.981271 11590.2443 9722.970381 9762.612748 9190.291063 9247.493352 2748.928424 3039.96785 1936.563979 1499.344461 3007.427587 3550.513922 4641.25896 917.5690372 1741.65968 6791.402695 8316.659172 6584.260852 8508.651616 9436.845739 10970.60873 8271.653662 10885.21036 12891.32213 7276.881682 5903.808211 5372.402774 6387.590832 5264.068864 3336.194277 5436.60738 2879.689115 7272.000512 [1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropoxy]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 12059.10358 3114.68696 7503.268686 12136.43881 4289.212648 8600.100989 1978.748732 1534.183416 39483.00282 107.2850727 89.61823643 206.8887777 60.63129525 62.11125919 4.07813e-08 4.07813e-08 49.98861673 75.89624646 2626.292879 3793.886056 1746.802733 8210.694512 1146.967599 6212.663206 10181.1196 1806.002917 10616.08354 4.07813e-08 76.42566436 4.07813e-08 64.4366552 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 69.43377333 4.07813e-08 4.07813e-08 851.9463726 4.07813e-08 4989.489738 4.07813e-08 N-despropyl ropinirole 6761.618851 8518.446545 3246.136054 7455.352707 2966.272466 2726.34288 7072.667091 5993.100932 5341.876503 1360.777046 1176.935964 1175.546324 1084.098177 708.3493371 1386.076557 1552.968093 1283.594084 1106.080013 792.3497769 1257.729303 3190.531296 927.257125 1974.566174 897.1953626 1773.95667 1555.788323 1370.917838 1103.203639 1162.319685 636.7577492 2213.688051 819.1897495 1053.57269 1122.896688 1467.823256 1089.156113 3107.873457 2698.861051 2959.557711 2626.917994 1147.229793 1026.881149 954.8682392 1305.689434 1155.96692 846.6538338 1934.76533 1290.434254 3885.975894 7190.335819 741.0122954 1365.53037 1622.252941 1620.147193 N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid 22362.35135 12122.0678 11315.83785 7825.455889 10527.46516 6788.57593 8591.85618 9486.901673 6257.633799 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 158.2830396 4.07813e-08 4.07813e-08 4.07813e-08 2808.515707 5105.712574 5696.178083 2531.858164 3913.968265 4281.716427 2130.979661 1548.395084 5913.814663 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2264.014263 5888.790982 5250.527456 6977.635934 5967.96448 4183.587308 4923.523028 1846.460796 2107.001315 5333.546552 4445.427504 2528.658521 2946.651766 3046.091755 4.07813e-08 3120.061441 4.07813e-08 2695.991195 Phenobarbital 4.07813e-08 1120.269633 4.07813e-08 4.07813e-08 4.07813e-08 55.31347735 73.37763548 4.07813e-08 68.07014945 21027.59708 29355.33408 6603.982816 28234.16736 7929.775801 3876.076047 3655.041264 8169.798537 10238.7334 4.07813e-08 4.07813e-08 372.2311946 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7380.463095 16125.5522 15724.31329 13601.4764 14838.00959 6193.039525 8072.172414 10262.22965 26212.65647 402.2967681 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 699.3094171 63.59218757 357.7515296 2012.518803 15592.45571 104.498512 13334.60967 1927.840751 Secodemethylclausenamide 439.9998069 638.8813231 1212.870558 930.7992918 999.074854 147.730824 686.0500265 1661.350639 1163.01313 4.07813e-08 76.12225752 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 671.5752379 491.2159696 2773.296172 23597.68933 1121.843719 297.5923467 1361.127401 765.4720249 616.6264331 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 133.6285501 2323.830817 651.5044412 828.4902777 355.1787263 987.1463876 1028.256786 1043.357808 906.6070019 848.7812807 1060.740267 363.2996848 877.7977409 969.0394382 1461.998787 95.8441746 602.9806344 220.7950177 636.8279296 5-Megastigmen-7-yne-3,9-diol 9-glucoside 1128.4773 1014.045107 987.2776877 2073.359919 2630.444622 2179.592018 3027.146064 1776.346316 1381.716644 2081.218882 2598.355419 711.9416913 1638.074915 690.3053504 1133.884383 2068.662854 1821.519986 613.4682931 5002.686261 6592.884289 4056.108875 4963.713804 6472.2134 5176.976247 5574.758797 6082.394945 6734.142542 4071.177767 1954.817243 1346.348729 2419.672307 4568.407086 1130.682883 3885.367432 891.8245485 894.1659927 3153.7394 3160.783163 3294.869276 5044.275805 5048.144341 5922.559329 4820.555815 4799.249495 6124.263647 4825.785365 3051.201451 3769.501719 2955.476198 2071.860343 6991.626121 3760.367852 137085.0419 3848.898952 Tuberonic acid glucoside 54.8084552 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 97.58184052 5596.9147 54.04284874 190.8834258 4.07813e-08 24.83196645 1524.649319 13487.88677 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14074.41718 30.34931603 20984.49803 4.07813e-08 11727.51785 29776.95377 481.6036511 20075.54225 221.041453 113.1108778 4.07813e-08 4.07813e-08 28.01936509 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16.7476024 4.07813e-08 216.5257759 4.07813e-08 5448.901646 4.07813e-08 Bisoprolol 9416.54001 45525.5053 11324.44096 14019.27576 15259.91424 12749.59206 17464.71835 23533.46967 27419.36129 2443.618095 2030.581905 7265.030539 2298.591987 9694.793689 5639.624276 4977.669073 3466.90645 9246.150854 362.1608168 117.5459414 1151.196766 133.9810183 2203.10222 81.66183123 7229.913203 6155.564083 122.5075157 6087.121356 7440.341284 1957.68495 4619.9568 8623.559641 11174.78121 1839.219707 6604.09417 8373.0565 39030.21678 5287.488821 2530.614395 629.6356904 4.07813e-08 4825.278312 114.8121542 4897.985534 1295.400293 245.2912515 1008.823442 7312.201271 18867.10584 32439.23799 9390.023327 10639.13166 5956.323884 3177.634585 N-Acetyl-D-glucosamine 145466.3672 241015.682 129421.7029 169306.0857 197595.1071 125912.5522 237534.8255 249035.2296 192465.022 40083.79139 30554.47061 16337.94661 35216.03055 15086.68597 20621.31542 10888.85577 6038.504002 23074.62065 93063.54112 78580.45458 103079.3077 79811.54861 119339.8632 81598.30171 129750.9906 43068.39322 88209.35538 31315.33303 28398.52123 26772.24593 24120.84767 50106.64479 27212.71977 29405.16427 9522.757697 19630.56209 121190.988 129978.0648 156868.3656 111576.014 135192.8682 114589.7456 103014.7377 71706.92171 52500.36889 93307.20019 134706.3122 117005.923 228955.5946 170848.4534 38526.13765 181359.6511 31042.27382 125551.4244 Tazobactam 60199.81687 65366.13989 49305.16177 69648.96133 65506.59156 61177.245 69707.25998 53186.50862 34628.6826 1963.735324 1902.569402 774.7467229 1617.926428 1196.540093 831.4514098 621.7688104 785.2654857 2839.990385 73675.67257 92635.98197 61102.64816 75812.01563 87880.21667 92576.04721 89128.4834 64984.00431 73668.00918 944.4890272 1647.594432 1589.121435 1145.504742 1916.389471 1293.955131 1756.968189 1206.304652 2641.903181 56218.97515 93359.8615 57981.69782 79507.92818 80509.37916 78445.24433 82746.30089 58095.66326 163162.4481 54433.08019 56423.81938 53601.75682 52449.67539 46586.7858 2233.481026 51326.39696 1915.329999 66383.05952 Tetraacetylethylenediamine 35792.11141 43705.46351 41471.09555 57979.12733 53950.31393 38437.68714 30514.63872 42205.86685 35536.93217 25322.15945 22839.04167 32147.18341 26698.29207 24958.83572 16538.23184 16365.6556 14930.71127 27153.63337 52163.38563 36766.19802 31152.0133 40314.41201 37474.452 40573.44805 38733.81997 60693.03302 43086.12325 17295.02819 23079.21151 25809.0032 19045.48268 24780.65531 24586.51122 25650.69208 13988.28457 23802.62726 38608.49207 41769.43485 35916.29812 46803.75203 42144.29113 43980.11424 39548.18066 55276.45731 80711.69452 30944.52625 25654.1865 25137.6779 37125.18533 35536.08624 26276.54056 27309.08639 23323.11966 20111.30045 N-gamma-Glutamyl-S-allylcysteine 330.0648393 1428.071376 765.5115911 329.2779777 851.7897227 18.82338689 1111.338284 278.1086621 214.0744972 4012.399685 5799.140828 1576.594741 4222.275317 3367.244803 2145.641853 1433.657964 1036.834267 8656.25541 14578.68053 13160.13492 10283.22508 10165.94602 13760.00052 11545.18625 9824.869147 16883.08617 10431.06317 5911.983643 5272.635014 1736.572253 3498.952454 5003.09802 2407.056511 5665.314135 452.1679765 1017.602504 7716.990716 11213.60798 9298.86602 9900.62154 11005.01943 15465.85773 9788.022893 17048.32956 19561.03593 7537.545216 5332.750392 7482.344129 8433.678642 7721.727455 4973.21394 8348.689072 2789.267426 4806.667792 Sulfaphenazole 2080.902491 2010.728492 2728.030777 4624.309246 6506.520441 2127.732898 1652.240667 5616.065149 5092.400844 1631.859086 698.0875635 3196.234098 1854.72098 2036.570179 1128.837037 261.9046764 2976.75246 3891.185309 8253.087778 11782.75243 36391.79411 19820.69825 9944.820624 5249.906138 8639.21587 2870.194059 5011.905335 1709.884607 1785.020058 1840.549222 3188.745032 1345.613574 1392.534434 9999.791801 8485.378777 4522.425906 7118.39475 3486.645141 3817.162536 11061.69806 6330.031942 12080.13998 3808.127607 3523.290759 6093.883012 3450.711072 3464.007554 2911.741951 5803.808296 4896.15817 2753.340369 3770.794809 3037.533715 2485.507053 Aucubin 5082.050619 6490.403545 6017.104443 7199.02583 9591.192633 4113.874869 4707.543413 7757.75508 4428.697149 14762.49873 21280.73371 38557.38096 8465.011022 24763.72971 12521.41084 13669.77319 10035.37909 9241.765375 14734.60055 11966.48644 14128.0199 10035.08219 13786.3348 10106.50822 13267.61002 11001.15264 10664.49084 10975.84179 17179.92248 19541.74228 10148.72573 11280.37689 9588.768128 25362.38105 7026.136104 10632.75762 9156.070212 7845.72596 8249.165557 11007.17685 12804.10868 16034.57334 8481.480133 9297.362267 15329.00035 6083.912669 5790.105993 6591.112083 8802.075701 8055.346511 11816.96772 8149.961115 16907.39789 8005.534982 3,4-Dimethyl-5-pentyl-2-furanpropanoic acid 7408.656089 5432.287899 6714.152713 5532.561421 7352.656656 7395.24833 6916.074074 11244.39637 10392.61429 78.66531095 4.07813e-08 256.9636814 356.9855043 242.1937251 138.273665 4.07813e-08 65.0111912 872.6029983 12864.36568 13369.93476 15752.55173 12161.86785 13116.1387 14002.25386 11290.94871 11861.14898 12842.27638 201.4063255 266.1833065 4.07813e-08 73.49972912 148.3616936 62.3902903 140.8757896 870.7091041 4.07813e-08 8312.643924 10019.39087 8640.145755 11485.33063 11875.57862 13043.34378 12854.18208 10478.09055 15809.5593 9803.212436 7601.402442 8404.288266 6930.816954 5542.072643 418.4698977 7511.59142 4.07813e-08 9511.392909 Ascorbyl stearate 13848.59137 31877.72593 22805.76043 31135.43191 140386.3026 24562.60939 28797.00282 19609.39721 181695.363 6493.985256 4.07813e-08 4.07813e-08 5345.538593 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11910.50371 48001.71784 33438.3481 79272.97416 33619.09992 41235.55957 11253.72615 26033.64429 22632.35544 26516.62208 4.07813e-08 1493.401719 4479.539243 3996.826541 4062.489399 4.07813e-08 4330.957405 4.07813e-08 1208.507369 42985.30681 20398.68953 53305.48214 69121.22534 32816.93573 54185.48271 13300.55392 23633.73124 17558.63917 69845.12699 53783.96653 59000.86827 56143.62441 80274.91799 7524.130984 105220.268 1912.204187 32199.47877 Pentadecylic acid 33617.93886 25332.94924 43462.85554 45946.08404 51335.19042 40600.65006 33017.63706 54249.36989 18589.31777 18437.51454 14306.96097 19290.69328 18799.59808 23492.07161 29495.44838 86610.46525 144132.524 28757.30853 36823.51255 24358.70456 38574.17433 31485.33476 52861.77203 32318.36279 32868.37772 60246.01564 28118.3257 34847.17478 10533.88842 11555.49944 19908.44287 9193.56987 14322.31413 19561.7163 98313.10069 13329.00815 21984.85705 32539.12222 32601.07496 50803.63214 45497.75289 35424.719 35754.49538 60962.41298 23498.96092 8324.537051 26157.02202 37918.0803 24299.97189 18733.51282 7842.009216 32138.17655 14944.85635 20972.29073 [(3-methylbut-2-en-1-yl)oxy]sulfonic acid 190272.2136 127988.7107 139903.9224 122257.1221 150842.2452 171471.3728 213497.7477 268094.2142 169813.2062 79.32485805 549.6714184 1322.285371 1830.830117 68.76797413 374.6256596 1576.47579 4.07813e-08 433.7276276 312095.1344 427955.7908 280413.0432 292282.2002 379861.5806 436364.1161 329417.7165 235412.7041 304932.6207 3650.274033 2558.784502 3000.237404 2321.47435 1199.7907 1900.584045 1860.596899 949.5676728 1577.44072 201849.6961 402466.7537 241639.233 328763.2515 396470.5279 325747.2308 412581.6068 182496.708 566549.4968 217998.2513 185387.9582 278743.4938 230752.6209 134615.2513 1102.298236 227647.9347 1370.738316 299372.5374 2,4-Dihydroxybenzoic acid 4253.869709 26426.48632 2029.787028 7507.738419 3030.047705 2659.167262 8478.809204 7895.960623 2413.069632 360.4539022 181.197821 295.8534542 466.151561 240.1885792 582.7506505 536.6337989 195.6564449 353.8517547 558.1403557 784.1944141 1251.819789 2442.321691 1014.218105 588.6421733 2056.954776 1550.302706 1450.975674 1780.165352 280.0883759 197.6378655 473.37878 188.1269224 466.2552747 271.6595301 437.859489 446.0203287 22704.82861 1304.565766 1257.099577 956.0639399 886.2345475 1598.482191 930.772523 1752.33902 3357.608877 848.2018395 960.2221737 1121.807146 5255.267262 9127.286368 297.0955176 3787.73914 481.1393173 2802.118218 3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-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 24998.19325 19030.57386 18850.37477 24231.56064 15229.48798 22256.79214 8367.449155 8202.923062 14913.47023 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26564.9255 24164.91679 12077.39832 21347.12791 31353.15395 22190.85488 33556.96179 9564.827324 14546.94918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30033.41336 4.07813e-08 24435.20139 4.07813e-08 Cynaroside A 186.4617256 7108.823523 643.6352137 1914.896428 379.1845982 818.0207285 6638.375656 1977.467017 1119.970773 116254.6894 97195.22289 87358.27708 114526.0112 81491.13937 90275.42949 50064.34848 35859.77311 96217.86852 185.570405 4.07813e-08 443.5692189 4.07813e-08 21.93801658 124.5451375 121.3820441 32.85976725 126.6282311 90401.26682 98698.69458 74550.53584 69596.54565 105134.6793 100417.182 46097.73206 46152.40468 74260.2156 558.0289906 22.36602748 377.8936246 2.366688914 151.8368671 191.5910339 9.809222094 330.0911158 96.78091981 6.7207458 493.217284 537.1767763 3630.238369 4311.075682 52188.27098 2087.160845 77653.71597 8022.993409 Deoxynivalenol 3-glucoside 1791.480351 132.8476113 962.9909059 439.1854388 935.8682886 719.3936777 1170.280091 1634.553627 1341.662348 4724.897389 20066.23134 15771.48593 4466.444701 2314.177757 18489.32433 31335.48494 1572.601294 1767.863463 4749.14881 4515.257238 2746.964331 2893.979652 4513.58725 3680.455278 3110.065031 3380.207296 3879.989016 5364.509128 13139.08499 4870.676271 4255.331031 3442.254459 9949.203688 31159.86343 7281.663066 7759.67283 1218.548242 3375.161862 2251.869364 3656.952029 3680.526149 4122.566227 3270.725012 1762.582505 5402.076354 2175.556673 1828.252882 3162.529102 1587.212409 1115.951555 3437.929332 2605.108338 4468.735344 2452.863049 Carteolol 29384.97883 20045.65807 30282.96503 36268.98199 35397.78088 52399.51714 38913.43728 31854.7199 21035.04052 950.3465799 925.1202422 695.7638429 1080.134449 504.2422909 716.1654312 168.7867961 223.8788607 665.2125469 32128.55215 39647.69545 27496.01353 39080.88934 40354.77331 47320.20098 37034.25577 28843.21381 29280.98735 500.4273492 1427.270744 783.8982738 196.1619593 473.7332 511.8640928 596.0670777 200.7086411 221.6456591 23422.10145 37414.83192 22619.02387 30163.74599 41057.35808 38192.40394 43026.87566 24297.53288 25984.09472 54125.3265 20522.44588 31400.26108 24225.0054 18167.64224 2513.193551 27020.74304 910.1149941 49992.72427 Streptomycin 25850.29031 49485.22533 4912.236133 916.788426 2613.156206 1984.689823 4.07813e-08 9992.864126 51695.3255 266309.8778 175106.9282 429124.9605 239758.281 586814.7851 416103.736 512374.5638 424040.2779 491231.9112 4.07813e-08 1083.166553 695.4769214 1532.666962 4.07813e-08 1300.224862 4.07813e-08 271.0940446 4.07813e-08 370060.1956 220260.0312 27641.44824 262053.6934 99439.34237 55948.65766 167949.2663 366466.3593 172072.8354 773.9518908 341.123669 4.07813e-08 295.2734861 0.177875651 4.07813e-08 858.0581692 668.3409882 4.07813e-08 1338.94985 142856.6243 18292.93294 70091.95291 8550.714732 333554.1991 23557.60818 62088.71035 46986.46623 (25S)-5alpha-cholestan-3beta,6alpha,8beta,15alpha,16beat,26-hexol 25911.80977 16024.17885 23938.63769 37153.27708 28531.9007 29975.2596 39660.12671 37615.99093 39193.39204 10478.369 15258.39165 26559.76858 13651.76572 9696.386467 15275.85405 15732.94049 19354.82491 48106.83097 50188.16716 33933.2084 51545.66973 62637.69134 61277.90129 40804.45486 43726.23464 17899.77405 32682.05471 32390.8035 14343.51 33189.52649 5524.761205 5726.056529 7997.839326 15989.42329 10248.22229 23505.80923 40817.64418 30246.96134 40779.6805 64581.99964 65349.11031 50212.38682 40671.29121 18504.25458 20327.21275 98594.75668 50508.37136 96035.63522 25015.52213 29341.23578 11982.72456 42635.9493 1614.516042 63346.88768 5-Methoxydimethyltryptamine 16754.95814 30206.6902 11799.49767 19308.3279 13565.37238 12688.45894 21173.0001 33425.80247 19145.13827 2230.340895 2383.676459 2207.958201 2202.613355 1038.121672 2725.313562 2669.937515 3028.009979 2617.794586 3468.78797 3690.239696 10857.34337 4762.923176 7002.248165 4081.202603 4679.993033 7433.997975 6259.158904 2033.299101 2348.754258 1406.604278 2745.892588 1367.237527 1945.081038 2601.278504 3397.349394 1942.532256 7574.795828 8325.848284 8982.873586 10377.57756 4492.80333 5666.567478 3858.625304 6708.519369 8058.506463 3561.549308 6745.650465 4423.078288 14467.10292 25737.49456 807.3970732 3963.914559 1925.597459 3857.134515 4-(Butoxymethyl)phenol 19982.05236 17603.54302 13385.37032 20985.30321 18438.1424 11542.36475 16785.1696 18642.38544 12822.68066 4466.844777 2840.626456 14694.8085 5179.719646 11068.44145 9913.004623 8060.508797 6233.459773 16266.38107 14251.69805 7835.729373 11601.26414 14013.62254 8937.466945 7151.075098 11376.94619 6924.890283 6312.101357 21313.85909 22519.07942 8156.758347 15801.32433 19214.1277 24705.09478 7968.516878 7229.099783 11140.26997 34231.05488 9808.512034 8685.812807 7545.733602 10127.4639 11070.61753 6799.307184 6863.308289 10223.96626 6785.413226 7795.259226 9988.802465 14980.78514 23541.31902 24220.95333 12364.36354 20417.33296 10723.28028 2,3,4,5-tetranor-thromboxane B1 52310.2566 44604.75321 53130.21332 53602.92839 64228.7969 55948.04458 61600.80568 48959.61843 48212.94633 13526.10088 13377.69574 12088.13675 14728.1131 12251.35457 12696.57087 6379.722993 7082.50127 15122.97302 117884.5766 118338.9421 102553.6862 109606.4213 135453.6425 112659.7219 103284.7069 108060.4935 108964.7904 10921.49014 17139.19772 11803.15601 13061.86825 18456.79894 12583.22288 15354.20919 6191.709794 10629.25224 71778.16465 103069.4792 86969.57099 96894.85349 119547.448 125848.7958 105482.5829 102197.1971 148688.66 98587.83009 79841.98441 89394.80674 63823.88165 58951.45692 20194.45135 80989.47656 13579.83483 74816.26447 5-pentylresorcinol 24609.89836 19165.52592 24505.94683 33685.10788 36944.15511 26660.96259 22920.87637 23165.22824 21991.86196 1706.536395 1291.671128 928.0349349 1975.702007 1663.707808 2948.608991 1181.435236 789.3441996 2286.964794 35392.96321 36464.51404 27494.86489 35559.11189 34109.89492 34781.63721 30320.74349 32673.75154 38050.13726 2068.508942 1734.793891 582.6799749 2070.997439 2340.476649 1498.279538 1139.328075 1118.781251 2464.227471 25211.96556 30991.88774 27386.03443 28716.28306 35195.76275 33230.03496 33387.71848 33489.19578 41797.18379 25720.87252 19378.78554 26872.90983 20429.47466 17985.4042 2852.32611 25022.0221 1331.851015 25675.72921 Carbamazepine 2060.431791 6270.554924 27.17282829 23.063705 51.57173141 38.42086521 95.20425425 22.88165288 602.9522233 18433.02247 13259.30057 37866.76416 17619.83594 1217.09009 19149.14426 11887.83344 101050.4799 285.3903615 194.2768567 162.8130496 177.8841011 46.78866385 309.5836086 178.9994472 258.2544211 437.3378611 200.7016225 16288.5281 16901.23528 70525.43506 11343.92609 4410.756865 34184.18767 25608.17971 43681.16759 696.2372552 139.0981171 126.7059743 144.8621497 154.6486991 184.7958259 208.1016001 307.5307885 157.0834905 414.3628483 183.8833695 248.4834724 1454.310213 1601.166159 118.0636834 73310.45671 522.0470719 62517.21591 267.9037591 [6]-Gingerdiol 5-acetate 167485.5009 134611.1977 161169.8605 153063.7663 177752.4318 172529.1617 182490.1344 157263.3482 151070.9818 50760.14768 45519.44733 41665.33404 55020.66356 35266.45222 43680.52692 17851.80482 20187.64857 52490.08705 411415.4339 416471.2055 353656.9158 348979.6685 444971.7741 403900.0467 367273.7541 426445.0624 424657.481 47962.72849 68544.11953 41834.0398 49686.61554 73103.86601 50097.15101 74441.36111 20838.15871 42993.2661 255440.772 350954.1799 294417.0189 344720.3665 400638.7881 428708.1459 382259.1208 393884.2085 545360.911 317772.3566 259909.6335 282165.3817 232119.0706 220974.3073 90544.65869 256015.83 58795.58487 275045.6963 methyl 9-hydroperoxy-10,12-epidioxy-13,15-octadecadienoate 87642.02121 65482.08802 81831.81918 80707.40407 99060.76536 88516.97167 91142.9069 83200.10953 79746.58714 20163.66449 21088.7523 20217.16492 20011.0022 18017.35244 14998.95637 8691.91718 7890.70984 20732.90595 208307.9002 203852.9079 174816.3756 166600.3614 229495.466 204595.1019 178036.9316 220373.9528 220213.8095 16233.65952 23344.34586 19769.8456 14947.26381 30878.36467 17670.93777 22100.95091 7873.064734 16091.47365 112296.5758 165163.3431 135993.3348 172596.3856 197667.2138 211321.3886 187495.1859 194476.2701 301072.8996 161809.3346 136844.9983 137195.9181 108889.1214 98612.98981 31446.23297 123609.4323 18876.70648 137807.364 16alpha-hydroxyestrone 18161.73744 20906.03435 826.1380118 8217.734826 771.5307057 600.3218076 1107.830875 497.2570279 2702.920107 28277.90144 44430.96549 136581.1754 31058.85127 54824.51519 73932.28746 69801.91607 30150.80915 5264.372557 813.7957968 856.3304935 177.6142719 537.9794373 4.07813e-08 198.4673744 874.2233978 928.2191754 4.07813e-08 36577.76724 48411.85759 3805.611206 14919.48535 17589.42666 19869.68619 56847.94008 23632.88529 4.07813e-08 9703.993393 1169.592614 620.998173 1489.871539 1314.610307 1052.106549 217.3031715 807.2358684 188.5980601 1283.999738 496.3761325 4742.116284 7358.375182 1040.009832 77758.09701 4629.630223 11697.31115 458.3893975 3'-Hydroxy-T2 Toxin 216.7834866 1170.557222 189.9875697 490.8258238 4.07813e-08 301.0108685 4.07813e-08 501.6437976 1538.074278 337.9253113 16346.40822 108.9870907 411.632495 4.07813e-08 6421.485098 88544.72509 200910.5306 11120.40912 4.07813e-08 4.07813e-08 4.07813e-08 201.1511788 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38733.0529 340.7953549 81554.57739 164.2343995 130768.4958 29320.49695 643.3304073 60504.22381 17623.56184 597.8141314 4.07813e-08 4.07813e-08 4.07813e-08 275.7465535 106.7758281 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 697.8173987 4.07813e-08 552.4742758 461.373957 11901.12982 177.1605337 55367.03903 518.0651172 Herierin III 8940.696247 8640.580551 7474.196766 10880.04152 10226.6802 10164.3009 9085.754047 5736.624575 4280.867113 424.3350606 103.8026477 452.2555924 616.1720616 823.9700247 2860.899172 1243.327051 195.842685 730.8058796 7736.413733 11169.75973 7016.884128 10796.22531 13854.77182 7572.55316 9833.875218 8609.24413 8990.056937 2953.300682 662.355015 850.0230587 617.5093915 933.4368507 1701.39227 1331.406934 1641.719273 1882.482656 8828.187041 10342.03838 6601.878945 11389.24954 9353.499869 11875.99531 7823.615036 7463.597495 11659.69815 3076.654454 2246.65798 5967.235443 6495.472338 7360.930993 836.0113041 6406.214292 237.8623653 7023.023115 5-Phosphoribosylamine 60007.3489 49110.0831 51656.56112 53622.31949 49398.08249 38674.80269 44957.10406 43968.04816 36587.5065 6171.800806 6600.182106 5129.049535 6178.697671 7185.878971 7453.485414 4656.591312 5731.208269 8459.358209 45272.96406 50808.09931 53608.05407 61501.45083 50267.48988 25455.69248 59298.61364 68526.6155 38537.9834 7148.090319 8903.587478 7259.548909 9061.550541 12469.69682 9420.035527 8736.626853 5408.771992 6311.567448 54783.43605 52541.63787 54352.43061 34535.83789 54801.33477 48301.82931 29044.52064 61107.42448 77270.69631 23231.26298 28772.92711 38260.38578 48699.03545 37952.27127 10307.24052 33432.15997 6075.85624 38113.46733 Mabioside C 4.07813e-08 471.0927552 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31751.1043 43663.19728 27968.59076 26318.5189 13765.67238 64714.9785 48250.56157 28854.72077 23660.61425 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13720.81547 37115.79309 9084.31597 37599.26836 11434.25029 32104.55769 48713.90049 28813.06747 14151.76358 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15861.8127 4.07813e-08 4466.224504 4.07813e-08 Cinncassiol C1 19-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 588.4890152 343.6527463 23831.39135 3825.470686 8299.35341 23266.92484 36107.64974 7908.044127 14087.7186 6498.169661 61287.95989 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1840.425852 3889.247116 3786.14639 12246.05251 9863.89157 3978.07581 10680.25727 2714.571528 13693.41008 909.2617443 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5895.60089 5696.196942 108456.4305 2436.082898 12655.35525 6024.841871 Cornudentanone 76237.8043 46228.97362 50807.30205 34225.59618 29878.48188 65453.927 70666.60964 45521.62668 44980.94618 23677.85145 14959.76351 5635.380094 22929.32468 7447.559967 14062.53087 2694.212981 11090.19012 12098.40375 95432.83892 91358.02571 71298.9536 83482.30745 83992.82715 101287.4457 66437.31775 84075.48689 66734.20226 10988.03087 19376.35268 6021.820099 18650.52308 14597.9114 7505.514881 21482.63543 4598.417936 5652.940391 69450.96327 91706.45737 73864.02719 67939.60789 95779.4881 72687.62913 109201.1284 78506.8486 97576.76567 63397.53187 60449.63953 79829.47034 57615.69247 45482.5547 16238.45427 66839.15789 17803.13182 65053.64673 5C-aglycone 6903.544156 4021.237369 3752.715108 7084.148647 11036.80114 10007.77557 8665.849974 8058.340937 4111.658835 978.600545 664.8463716 1201.272723 1254.44043 433.5558623 1135.445031 4.07813e-08 662.6473215 835.3134658 10044.13397 11055.60301 10067.58091 8748.059401 18538.68003 14495.80519 14652.87307 7978.867913 9865.014297 2140.316036 2294.434882 1110.334982 1157.001782 3062.59683 1114.892788 3125.803167 1075.76363 931.1994958 7514.843677 8411.328607 6191.167326 14237.7545 12564.56453 11857.01299 12836.85381 6007.611244 5417.482476 10197.25882 4032.484392 8124.101509 8565.238473 4843.550542 3580.354355 5947.244195 1641.045904 4888.162094 Cis-zeatin-O-glucoside 8944.906593 9362.905655 10538.02994 12846.37525 13013.68273 7683.462247 5555.469724 11489.93424 11441.60315 2343.109233 2435.256277 3292.073923 1966.818882 1752.013953 3996.029314 1093.463134 2817.927727 1046.177078 19878.8106 15803.29574 18280.29367 12238.73468 10285.58798 6003.590661 9889.866089 18336.326 19319.13041 1733.715902 1220.665414 4915.854228 1168.448525 2530.962377 2909.281512 2209.448112 1340.640227 1564.598074 9076.068936 10543.4564 12861.05629 13136.37653 15315.45315 13035.63604 4302.898351 19297.82471 27005.27835 3811.537443 4397.085982 6591.752775 9833.666344 8984.473173 4508.808578 11702.36687 1953.071126 9633.308948 Phenylpyruvic acid 5589.624327 6757.233041 10807.50256 13025.42751 7083.106258 12644.75935 12117.97739 17208.02811 16717.7068 2461.156577 2036.534488 2673.644719 2535.144401 2448.702614 2459.507488 3649.586397 2257.068121 3702.263056 9038.077051 10119.33433 16298.72231 5924.625767 5746.655049 12860.51564 11122.17619 5469.799787 9906.9567 3621.579083 3071.134742 2222.703943 5130.389358 2248.229209 3689.819921 3049.627757 2595.270452 3661.219364 6819.837405 10377.18273 14396.12731 15551.08185 20040.60613 5308.762292 17809.19889 8479.873953 7604.590246 37642.33286 10179.36738 17955.76983 11715.01235 12568.86735 1073.714243 20209.47141 3283.46124 20713.99859 Litcubinine 26239.88283 16456.87004 11275.25476 12418.14202 22432.58249 16412.45744 22856.66585 13033.38163 12369.34285 2685.303309 1057.628795 1829.337028 2545.446277 3399.018172 1619.169312 852.8576489 3849.25921 2022.77456 35849.13239 54937.9052 31738.70753 25372.1585 28882.72506 27137.85321 29254.58439 23818.33418 28216.9597 2395.391654 1971.714256 2417.673451 1023.585965 3058.969027 1571.879154 1201.531907 2334.235286 3867.256694 14933.24568 28152.12158 12801.39797 19930.2442 25495.29934 25238.32419 26078.65077 19944.56118 42989.62451 14074.14602 17884.73271 14306.20137 12520.33018 10746.95195 3536.11145 14454.15234 5837.77308 19250.08559 Valyl-Alanine 2603.719213 1821.630047 349.3246632 699.9156079 734.5779361 798.3374511 2340.549848 1491.378868 2340.483612 1866.06245 1555.416636 4.07813e-08 1043.90015 4.07813e-08 1226.295466 4.07813e-08 262.501877 985.2024525 14969.14029 11537.72677 11939.80737 11228.53018 11407.59448 20841.31033 11347.29309 16820.45556 11103.45625 3831.565335 4418.145938 4.07813e-08 3533.185634 4463.145251 2206.300143 3445.33936 478.5824709 329.7014937 13497.10081 11423.2167 10147.45074 9293.154518 11750.4114 9969.200797 17175.18279 13904.41758 11961.64316 7372.402865 7241.085114 7623.073409 7279.604414 8651.897527 4394.314715 6222.924955 4211.964969 5731.198925 Phyllanthusol B 43978.38321 4207.277898 37845.15553 25509.4454 53052.83951 20686.0351 23656.43183 7657.892648 28393.73452 415.9631753 1290.071292 7002.853941 902.2969722 2128.856499 152.8407893 4.07813e-08 4.07813e-08 1850.377388 43878.25533 31360.11975 6250.505608 8406.071311 4217.813373 23597.15825 17735.17599 2890.079811 7949.870962 3425.820163 4.07813e-08 4.07813e-08 4.07813e-08 143.5743661 323.1479006 87.6744817 4.07813e-08 4.07813e-08 11089.9828 29316.11843 17168.15004 21379.86833 20835.98145 12062.01002 22696.0094 6101.965495 905.2634891 71896.8115 37395.60547 53933.26556 31891.96066 17989.82021 613.2108385 53013.62649 13190.93669 33917.65634 1,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-2-(13E,17E-octadecadien-9,11-diynoyl)-sn-glycerol 4.07813e-08 2508.764669 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.941296264 5.923630093 20191.26577 36200.19166 26657.93915 56504.28911 41238.51692 621.1443074 202.4989031 246.9473067 202.2151989 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24641.58077 313.3510733 368.4258436 318.6284183 618.0102695 13749.0738 148.562839 154.8945311 344.8386988 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3657.648795 4.07813e-08 5319.263518 27773.35475 6552.09943 4.07813e-08 210251.2043 6433.814048 2-Acetyl-3-ethylpyrazine 6414.196525 5325.172687 7736.482913 7884.300544 9110.907479 5186.135378 3621.03415 7135.594984 5914.024367 463.0213684 235.9654623 193.9833037 738.3847024 239.820402 127.840471 142.8044112 72.95986768 511.7169657 11872.89763 9962.602278 11787.01755 8839.608496 6110.303727 4706.698059 6359.315782 11070.80588 12965.4699 557.6031504 511.8785636 230.045126 279.217545 423.9212794 5.926265804 627.1274696 433.8242189 158.4067274 6417.427333 9305.754501 8159.51291 9258.901844 9145.040486 10229.60121 4802.813062 11619.20706 17554.15156 3599.850386 3792.848459 4228.458566 6695.241945 5825.814218 334.5605982 6479.371553 60.52608657 6204.104642 1-(2-methoxy-6Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 26503.36414 25682.51525 40973.0376 43082.40312 50986.47913 35367.42445 29811.25669 14317.39927 16549.50679 11153.44826 14237.6429 22383.8796 14081.48255 29447.28817 12521.71168 11623.33376 4364.082597 4798.936977 48801.5099 48825.35938 44100.73849 41898.26199 58787.97664 47432.29141 43884.14934 52914.42076 54764.19708 7266.785667 16233.94852 31675.02319 13498.99643 23648.76595 26386.35846 14388.09536 14013.64336 25801.43906 31283.21283 38007.20188 32133.18073 40882.86445 47440.44682 51708.92373 45552.52957 49018.33222 55076.03038 49794.51725 46897.81791 38075.60822 31242.66078 26401.02647 18289.7741 35367.21755 14182.81807 42256.99286 28-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-arabinoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 854476.7342 719007.4318 631609.7205 591099.2197 762524.1364 522145.5247 357604.2271 741839.9319 1029733.311 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 339464.9551 479814.507 560316.1558 509467.8021 643646.2309 419836.8307 320169.4517 382644.87 522311.063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 394815.9895 749.0945384 872780.0993 4.07813e-08 (3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6163.058539 17404.54748 14776.74176 1906.544444 36076.32709 10846.94458 36831.9189 80569.94968 7285.128345 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2237.322834 4367.165986 52074.80088 6822.408682 15232.64762 8381.862421 819.6306453 14696.42122 31645.80574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7093.30024 4.07813e-08 16992.73471 4.07813e-08 Ilicifolinoside A 4.07813e-08 115.4394001 4.07813e-08 1.941915542 2.201712015 4.07813e-08 58.4201034 75.10065387 21.82439303 5481.751561 7973.845259 13263.29627 3792.721135 11002.08738 6543.050304 6134.896142 2878.149558 2409.283459 5.281622657 557.2533062 10.38016849 0.052237638 10.44567587 3.638259675 4.412595129 373.94485 398.4033456 9492.532303 8322.129906 9640.43582 923.4487876 3803.222611 10460.5082 11097.45031 5455.587691 7080.443927 2.50408711 4.07813e-08 4.07813e-08 4.07813e-08 7.738747476 84.97151984 2.607276633 7.204107994 9.023455955 11.96781901 4.07813e-08 0.576360336 4.599577703 63.02010642 7045.702661 72.07330892 8862.175852 0.80808033 {[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}sulfonic acid 2575.551546 2207.885219 5405.12395 4827.713691 2806.350534 13054.68493 5016.928856 8549.553199 6838.474745 4.07813e-08 4.07813e-08 140.7398923 4.07813e-08 4.07813e-08 4.07813e-08 554.2892326 4.07813e-08 615.3735971 4917.325766 5201.77714 4417.75322 2642.879815 1863.263486 7694.531899 3843.366124 3389.120392 5163.303678 4.07813e-08 4.07813e-08 84.70094213 111.2191124 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.6590483 1987.370807 4733.218073 6043.057098 5109.93885 6740.13777 1839.331423 8113.667132 4585.61919 2250.124585 16601.4582 5847.144539 8345.708559 4167.59999 2815.741485 4.07813e-08 6608.393265 4.07813e-08 9148.426413 Maltoxazine 2328.448763 1607.101427 2867.587865 2960.515657 3491.91007 1888.470605 3617.946494 2373.673469 1432.452104 135.4209432 4.07813e-08 45.53089658 183.9842495 4.07813e-08 58.48160051 58.26446566 4.07813e-08 74.8529649 6594.494051 7366.700649 1695.324964 5223.383342 7158.586264 8468.817164 7047.248263 5064.283185 10183.62649 45.44850392 4.07813e-08 71.40241493 4.07813e-08 73.66318624 66.64335313 103.5067944 4.07813e-08 65.22449478 4883.686056 5799.767188 2871.753929 5287.518392 6165.95217 7131.489721 9080.065746 4474.713937 6924.103599 6080.323682 3706.21531 4603.677131 3530.313562 1495.176272 4.07813e-08 4566.771483 51.50382065 6873.222346 10,11-dihydro-20-trihydroxy-leukotriene B4 59104.77133 43330.21716 54361.27545 54770.62692 62124.74972 58759.75601 58066.13994 50438.98612 53080.9446 14599.3079 13992.92373 12135.47652 15978.08794 14488.32511 11036.0621 2232.175972 6737.665994 15429.14342 135623.7812 126779.8397 111831.8962 111271.6833 140883.194 135570.1971 109824.5967 130016.9468 138409.4532 11725.11375 17718.66248 13838.76276 10424.27691 21384.4835 12990.89401 15459.39565 4400.957754 11759.42738 70535.36644 102892.9793 84998.33932 107507.5054 131051.6503 140115.9123 124448.7941 123249.0865 182966.3142 97882.97357 83037.31998 87795.59773 67963.61555 62314.13958 22482.17351 79103.06947 10600.39961 89964.98021 1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3 7742.222786 5841.711946 9584.847725 7353.359017 6351.255789 9424.361989 4035.126953 10715.99221 11016.7849 5234.882423 8283.561679 15096.34711 4564.008677 57516.80372 66158.14538 9022.24075 116258.4222 35943.71528 4072.772702 6580.718612 4176.882893 15740.68865 3090.305707 3339.918281 3259.449032 2277.346573 325.0932253 45117.32272 13971.86224 340.6429219 12523.7468 3224.573481 6015.131875 1671.621667 28795.97304 1872.573964 7622.661037 2382.841139 2260.548383 7734.021234 11537.63916 4343.59032 1806.162475 841.0152308 706.5994868 3838.931463 13204.16871 2906.700112 6745.361136 1096.76173 6549.497257 1502.975438 757.0969976 1092.950857 11-deoxy-11-methylene-15-keto-PGD2 34509.42873 19879.73274 25824.62786 23404.67884 18014.75934 35874.55877 31751.61394 24359.95548 21693.15549 6105.42542 5562.875956 1588.056486 6722.252879 2821.285224 1937.648902 146.841944 1587.73175 1568.118896 54056.9043 55631.7449 39227.33385 50982.26735 63046.82898 57638.49177 44894.0215 35847.47584 38761.13043 848.5014441 3240.667613 1447.689271 700.9805979 4324.592156 2456.12601 1577.363122 685.4657961 519.9660412 30398.4916 44666.62321 40586.25113 45111.42402 62472.68381 50954.60558 58195.21909 33739.07565 63481.8534 41528.45954 29774.71804 38564.8311 26579.63986 20371.34399 3532.844448 36253.03497 1614.361831 35207.0089 Niflumic Acid 6894.188256 15332.34052 14296.68374 7132.675638 5574.742409 7713.440526 6369.515339 37260.37619 32680.25529 113.7946926 32.20810891 3618.574625 395.0143927 11.64184645 306.151858 4.07813e-08 266.6455277 296.0013547 15935.85651 11664.99894 10054.07075 4009.588188 5581.905632 12976.78427 8319.471901 2785.373653 4557.909454 220.4955619 244.3065139 52.82894488 972.6211335 28.95527673 91.38605364 93.15913013 611.2660607 306.1198927 5895.200997 8789.822436 7349.983281 14332.52668 15685.88134 7885.58841 28036.68937 5441.854338 2235.981355 53591.86605 16796.94389 53425.1734 28832.87075 40497.7914 285.9231485 33451.16742 1743.662701 13546.53478 Cinnzeylanol 392.9761563 248.8758137 12.78615657 340.90946 160.8787667 426.9122141 1532.169865 774.0790659 311.4767726 2667.886854 12490.47357 4.07813e-08 1945.474595 117.4906369 5909.484053 39980.02831 12962.35183 2137.55359 1847.275043 860.6636571 1236.069573 2081.198916 2741.524625 2098.323913 1318.446586 1690.359161 1783.934136 13959.42019 885.6169136 9726.663052 1694.797865 13892.45761 11088.44193 4756.046451 7831.952374 3245.117793 915.9115824 1394.997354 622.858273 882.4773416 1713.129162 1328.265598 1750.475578 2221.252797 3867.084281 1070.409894 239.3113435 207.7846579 523.8823911 261.2970246 14864.30824 459.8829949 53502.75781 3290.020679 Imiquimod 35452.13158 40100.53297 39443.69535 40315.13148 47264.83176 37024.62377 48844.54772 22880.80301 32324.58723 7596.200187 5869.50789 4503.425631 7713.692802 2290.389115 4762.408018 1114.927626 1215.076977 9177.462561 68171.80492 71852.10178 75911.3142 68007.36957 96601.59378 67761.64411 78476.502 45084.86673 49520.19206 3132.378802 5969.936612 4829.387369 4391.493578 5596.754644 6024.385241 5997.236813 1455.451405 8383.364208 36873.34649 55303.91615 59771.98621 58020.90262 78482.87482 97051.8014 64173.77989 44195.3931 59770.30359 76733.79102 56636.90443 77894.36733 41906.41894 46573.38042 8525.771809 61999.25209 4932.466048 36868.39344 N-Acetyl-leukotriene E4 6620.331494 6580.480457 1180.789926 188.1603698 182.9665713 539.2360793 4.07813e-08 1456.236394 3137.920777 34672.14516 33107.23351 21286.30935 36280.02889 34459.00883 56734.60669 18285.07468 61576.69665 34803.16708 180.9863036 17.7362217 347.0331894 21.81035436 91.24087076 204.8675699 47.73265113 4.07813e-08 24.38991825 71415.79973 11973.22333 34510.7915 10800.74163 20183.39303 44650.29357 19675.35547 30004.95975 35057.73126 310.8403713 40.20787115 209.9480292 85.46278004 4.07813e-08 81.99141886 33.49194134 4.07813e-08 4.07813e-08 4.07813e-08 19.25091078 14.16544197 368.935069 1092.88946 17802.64627 28.52785507 19956.53224 127.5958685 Leukotriene B4 5164.319116 6792.279014 9528.023451 15007.08964 15684.60674 15016.72996 10170.80241 15972.58337 10691.3257 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13369.62913 53131.56617 22338.52413 38107.32587 32925.17579 35085.94996 42631.42608 10408.61352 11137.73816 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12481.18207 36910.41388 24921.59568 45797.89545 43306.6262 25369.31189 33103.98409 8977.787537 12217.9782 33322.50832 31283.11686 26960.24118 9706.714384 15908.66571 9395.479393 10475.42324 784.0879691 2238.132092 Tymazoline 41765.07585 20433.31076 18307.89315 18677.97998 20577.8995 11719.68375 15684.26941 14158.48023 9787.705035 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6164.914444 9511.066038 11753.03663 5176.135311 7433.063418 6471.886657 6153.617888 3289.881832 7863.841735 68.2898156 84.73735156 4.07813e-08 66.11832001 52.11194873 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7610.737323 11702.28934 12876.91388 13597.4416 12725.07574 8563.061738 9124.686634 3755.650311 4656.707947 8077.087116 9249.536424 6096.799548 6495.922011 8737.756106 85.06378388 6872.244283 199.6774548 3712.254157 gamma-Glutamylhistidine 62.03340972 692.7746053 626.933911 1009.650541 883.0960298 792.9977518 1879.992003 776.4882178 411.2806485 36817.55665 37281.73228 32812.13176 33937.03774 29737.96688 16748.99075 19674.29546 15126.98136 8430.216109 191.0064763 1918.945673 284.2411433 115.6216092 918.7233429 371.7012668 554.8814563 1220.444432 588.7282362 22960.14028 24420.53619 46713.40925 7021.299547 19301.68239 21894.91471 50072.53809 10942.28867 34666.27576 975.0566583 1384.15186 422.5552152 588.8224806 933.2208894 500.0995851 371.7863217 958.2982401 1170.964321 515.196412 362.1711795 5072.642973 695.9544732 1632.363897 19670.68015 698.7158895 44692.67228 5126.124092 Metyrapone 17850.73587 10292.71925 20495.66205 15272.69897 15004.00306 34698.04827 27043.312 15902.14246 16525.50885 8776.620627 5897.130938 7627.873091 8154.200041 4500.945782 11154.58236 5944.475035 5867.37174 7288.475681 30668.00964 18344.07595 20011.45517 23703.56149 24395.1878 29584.72283 22321.61056 26613.60606 24825.29656 10957.26729 11180.92373 5841.93038 27371.27111 5253.839274 3991.726429 16891.77271 4660.364908 23975.59597 39178.40665 21450.0812 29902.63322 19717.51656 22201.71235 26105.63864 31702.45384 27196.31936 19085.48239 62417.51567 52072.7307 32417.05186 50634.44843 26520.60937 9592.153561 22400.55871 8328.890443 47687.42953 PGD2-dihydroxypropanylamine 28070.29587 23826.76437 28113.24529 4191.06839 2831.597065 33359.15213 3320.822798 39011.84877 35736.24436 19582.79741 6430.317078 358202.1275 21381.54092 465600.094 381869.9805 115660.9544 393299.0515 358694.89 22843.26541 9663.740532 31573.869 12612.19829 1856.530561 804.0336189 684.1659677 147.8725424 652.1963204 136947.4027 200943.1625 17666.52026 137104.8143 38400.99829 21729.74688 201465.1804 249941.4332 55991.9428 31433.69267 4146.214766 51019.04612 8670.054987 1799.310836 6331.035951 164.110366 517.5752464 570.8663255 34486.65847 124565.0396 43492.11496 63821.48139 21973.72864 50320.73973 61206.57303 12406.58308 18584.26256 Zedoarol 23174.17579 17065.77023 9076.934151 4509.038325 768.4618683 10874.73172 29316.52549 6838.397065 9024.948981 19292.67668 5084.165651 396.5461366 17179.44306 488.1242094 2542.911723 4601.135061 4.07813e-08 6106.995818 1469.072765 3064.966463 1204.82786 2994.994882 904.5561069 2071.586051 9584.598237 1387.926885 1060.403231 4.07813e-08 4.07813e-08 203.3121166 99.4584386 170.9896989 4.07813e-08 4.07813e-08 4.07813e-08 1316.327542 4219.43932 3191.186223 1897.748846 922.3521653 2206.010186 1801.480205 1594.979411 1630.668493 752.849354 2722.077391 3172.783525 2410.927813 2365.229667 964.2834972 1721.013774 2176.883074 915.2484393 15149.32147 Asparaginyl-Lysine 3547.13692 2175.515923 2839.469225 2024.612307 1806.817191 2450.471629 953.1527141 2135.446512 3643.983567 1782.234266 1313.513481 500.2731418 1932.981829 527.2971397 1128.067229 944.129482 669.6294628 3042.553317 15621.65829 6505.476426 15369.4013 10968.86337 3325.867569 1203.984868 5652.886078 16290.39931 9882.493835 2824.748461 2497.232926 1702.615657 2013.756796 3570.232618 1979.610556 1442.993073 1048.685443 2291.924082 7265.576297 6786.736161 9936.375702 10368.17247 11842.16743 8055.753667 1369.385252 14238.52695 14638.09569 2626.564037 1863.491707 6971.027767 4975.512744 5702.311779 2127.814222 5619.13371 1819.727473 699.2139857 (S)C(S)S-S-Methylcysteine sulfoxide 21046.19463 36159.48668 17770.63655 15114.31881 3536.927475 9249.327388 16023.54728 12160.45851 8512.785736 54011.32401 43436.88843 36408.59542 59702.78736 35873.3085 41528.85782 23657.65223 19666.07333 45325.83977 1796.899086 2279.288952 1426.775569 951.8365185 2471.638335 1996.888243 7864.583483 4627.123847 4100.848868 47260.65378 56900.09707 35093.74192 43178.98395 49505.82836 47875.01759 57874.21143 26310.48469 37337.2546 37974.48874 2967.070107 974.9963268 2382.025859 1277.338513 4151.500713 2183.564534 4821.579614 4040.689319 4177.130606 4235.790971 6751.492391 13679.26371 41639.58112 60389.77642 8287.496446 55447.24373 5312.934735 11-Hydroxyhexadecanoic acid 678.3763029 991.3360145 2631.445228 923.5987988 475.9468173 21630.22067 977.0860867 1191.216474 1512.879712 2402.737372 1730.402614 1242.90866 1928.054458 1357.126688 1512.964403 4991.847534 2937.020806 1373.870684 2509.919183 3206.623223 1716.69485 1044.345502 1815.828771 7702.854619 669.9806283 6498.313663 1778.244586 1437.354302 1359.79487 2090.706991 2273.200105 1369.798216 1939.321295 1475.617553 3247.956946 2504.812899 562.4518528 2343.400053 1405.634233 2133.864329 1646.338539 1241.958592 6060.11172 6392.965782 1152.279428 1304.628596 2347.531458 4171.943086 1045.000344 980.4672938 811.0039669 2652.056273 2562.776946 1019.948774 1-piperideine-2-carboxylate 3597.49497 3426.947772 4816.062425 3711.167618 3489.655832 3425.520023 1676.013879 2126.870906 2245.356484 2537.600204 1640.388692 2064.246406 2323.615117 1333.906832 2279.275099 2443.543233 2104.664679 3357.270131 6935.468461 1465.841019 7476.801382 7246.236705 1141.986296 599.5221878 3778.078828 11490.629 2783.327856 10082.27426 4633.187374 4247.711006 5907.097797 5639.883144 4822.062871 8976.786227 3183.146667 3564.104 12056.93839 4562.343006 10934.31546 4191.507627 4176.219258 2957.502774 539.7720614 11862.61038 7721.560811 768.051639 595.6056992 5351.568428 6930.06421 13028.41403 4498.095685 6453.428621 5261.301806 1145.446508 7-oxo-11Z-Tetradecenoic acid 132137.9576 115904.9796 115194.6152 101856.5623 41567.21652 24044.66084 43333.35994 76078.76553 85848.9978 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20529.06043 41197.5107 55342.70976 29013.55123 6032.373371 1358.99064 116663.0044 216463.4854 64203.20634 133.2551276 4.07813e-08 4.07813e-08 289.8365625 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 91035.3454 82565.15956 96919.69079 44507.70009 16288.98128 5893.061833 1775.379935 213722.3822 145168.7533 1271.512751 4734.140179 24881.22752 44197.12415 78305.4913 4.07813e-08 29624.1598 4.07813e-08 14142.00421 2-Hydroxy-cis-hex-2,4-dienoate 6276.924951 7816.519856 6442.464012 6398.662154 8850.973508 5850.996799 6730.769354 6791.003948 6088.237297 3365.710156 4109.752487 5238.556942 3535.381515 1961.159182 3865.384725 1928.779105 11021.87373 3635.189934 12339.21576 14469.12668 11134.33152 11128.58704 12495.37996 12840.72908 11129.90201 15104.47018 16572.47662 3059.969293 3289.302532 4198.721243 2149.497924 1963.685646 3190.205861 3539.72269 4694.816489 4152.316828 8662.204358 9541.424443 8411.716103 11065.70813 12688.2668 13071.00631 11681.22291 14357.50148 16991.44569 8238.961299 7373.708764 8365.009668 9993.720158 10460.54443 9432.261221 8955.35035 5456.74683 9864.813077 4-Oxo-4-(3-pyridyl)-butanamide 9104.868788 7534.921031 6842.522166 7529.904158 9804.528996 6687.858625 6616.007836 6624.169876 6583.778626 2187.580419 1594.290117 1043.735932 2378.378302 706.853438 1675.490442 113.5270145 960.2373032 841.7453376 23773.97454 20479.51006 18480.00904 16100.3124 19033.64595 19417.80294 14652.16619 20877.13156 17979.8156 2308.963189 1875.311681 700.201128 978.9072666 2094.172544 1385.013638 2266.157129 543.4422802 998.3446893 14917.08726 15541.08522 13176.02901 15096.39718 17003.61786 21371.41731 17214.30348 19544.39515 28577.7465 10723.72882 15251.82244 13233.87258 21393.88804 10688.04431 19565.4308 10765.72095 552307.4174 22473.44147 15R-PGE2 methyl ester 28408.87428 20695.45612 34886.06614 23216.27317 46822.1513 69914.50321 19188.30208 39738.0604 44911.93405 659.4453178 175.1187691 45.5347073 145.1841618 5.11664771 134.4131339 20.84297416 188.0897203 1347.526338 57172.10897 62464.77486 70438.47559 47307.65374 67856.87441 170489.0872 59922.81912 64661.43359 67178.03454 26.34113452 810.5220495 320.8104765 302.2552133 576.4428011 21.08823227 482.6723313 27.74715517 356.2212229 50129.71682 43296.72456 78373.26103 101089.6797 49033.92362 62672.03996 186482.2947 65695.67005 88238.74533 84977.19877 59019.40901 42341.00198 58031.48614 53532.89995 530.2575611 17848.9926 166.1779744 29737.39307 Betavulgaroside IX 4.07813e-08 63576.66274 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19917.41043 54887.17227 1548.904786 450030.0366 267145.4861 8547.833031 463023.1179 4.07813e-08 280442.8484 4.07813e-08 329138.9837 557370.6627 4.07813e-08 4.07813e-08 20457.99874 4.07813e-08 4.07813e-08 4.07813e-08 24505.48521 2266.511573 4.07813e-08 448088.9169 503256.1204 9728.808249 473473.9863 477095.3815 214421.7296 542767.8741 93208.94186 33728.42674 70937.1159 3976.669364 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 791.5202832 4.07813e-08 4.07813e-08 4.07813e-08 5157.761991 34874.04923 35372.60873 626624.5674 14462.91406 474736.888 20011.45326 PGE2-dihydroxypropanylamine 86737.24824 225577.4975 34557.1505 13237.62155 32228.38925 68291.68184 43946.47951 122094.2828 143808.5021 768033.9912 170095.5949 2165229.572 652111.2808 3182302.226 2576654.244 1564586.058 3213024.133 2874722.719 6478.951922 2728.628179 11279.29117 4635.953518 2980.64475 1695.617169 3699.416024 2665.054553 2534.509297 1372660.285 1268001.442 242263.4772 1464604.783 532827.0457 387877.7885 1118456.933 1942005.587 610339.6655 4496.755386 2402.597055 5183.841708 2557.132205 1154.006626 2519.848822 1208.950847 2638.404867 1125.392351 20651.98725 535672.1588 145430.8247 610275.6196 150032.7756 942217.0256 157340.1349 305799.9601 232895.7533 17-phenyl-trinor-PGF2alpha isopropyl ester 83342.48643 167104.4045 33197.76202 12491.88285 29745.11907 60766.34052 40095.01679 99466.01758 113199.0316 278720.4224 121595.1986 387135.6462 270987.6622 442899.061 357402.3591 436699.1731 402612.2076 496127.1788 1440.413603 1079.201054 11477.34177 3138.121467 1674.586247 1102.215476 4609.771177 1310.340198 2016.462535 329173.3896 373781.4503 152784.8625 409028.2985 238283.6599 192971.7721 324817.1976 433552.0267 268090.893 2387.276469 907.09763 2516.883308 2085.053969 2135.38481 1357.263563 732.6432805 2302.796729 4.07813e-08 3415.082909 229144.4843 103696.8842 252152.3921 112879.9067 280840.1979 100972.1629 190745.8851 154167.4801 Cytidine 22287.18996 22501.77284 22063.20823 16549.94232 21044.9161 13621.28199 19852.80742 27757.40711 34639.53389 19306.94899 20726.29077 14221.23416 21208.10548 17796.83839 11787.62504 13776.31956 9774.857064 28826.74626 4175.260509 5489.048708 8047.817643 5393.362492 8930.378921 8047.851767 8941.956454 5254.497471 7645.020994 9919.102353 17582.13714 19164.6277 15585.18368 19874.53306 16402.31066 7554.824513 12244.46427 20388.86197 12464.58748 2682.909324 8239.252038 6622.863615 5780.091057 9006.875367 10462.22479 5985.819639 4972.27898 20578.31377 10064.38048 14987.62977 12311.53844 13824.11555 22469.1821 20298.87925 21196.01694 23294.73577 Erythronic acid 106002.2658 86678.48125 116370.6715 123501.4208 119841.2093 128135.0005 102569.1098 166099.6755 161705.5179 5606.872733 7114.855023 3583.92125 5363.91607 8841.131322 6106.597672 3465.900909 7523.201338 12962.85648 79154.58336 73431.65291 77138.36397 51532.80052 99735.30736 92812.39105 87350.22728 33255.73375 85125.69964 6900.972174 6111.831016 8934.273587 1687.554958 11330.25521 6635.373751 2342.154906 6715.926665 5148.636136 50448.81169 79800.62411 95700.35593 99086.45839 84820.44268 78737.09943 102140.138 56635.2427 27563.05331 114310.995 68691.91316 96277.34797 96051.05972 87722.94913 4319.271541 103026.0415 1792.858091 96698.97209 S-Nitrosoglutathione 10271.43678 32808.74351 2486.617332 4301.813995 4587.799209 5211.130432 7919.510547 41667.95809 17254.53513 3806.519214 4219.175327 12942.8389 3093.732425 1939.206925 1266.440473 1935.887409 1107.225624 6451.539152 13998.0079 7585.239319 7589.95452 1671.818012 4803.747973 2658.396848 3793.488801 7053.30006 8200.967639 1801.193341 6076.968357 3307.551142 13422.78932 3777.776529 2468.81799 2925.886525 1583.006957 8559.021484 7467.867382 5873.419626 5060.202674 8414.963659 3647.639907 4740.360434 1891.430225 6598.982465 3735.733741 4590.267759 9824.964061 15432.89785 31598.74351 24121.40265 1601.817343 11599.002 21790.51201 18272.30166 7alpha-Hydroxy-3-oxochol-4-en-24-oic Acid 6895.718324 4120.189024 16138.77364 4203.511401 10240.09249 33062.6929 7663.985048 4431.410746 10427.36877 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 101068.699 80920.10275 85695.66802 123839.8116 189026.5294 348066.0537 114568.6627 38522.55722 59291.75461 4.07813e-08 40.94605413 5.765694289 400.7570338 156.7854086 4.07813e-08 1230.126144 4.07813e-08 48.73946293 12616.01268 88394.3418 46385.30177 101296.9408 97243.11364 185126.9877 250447.0902 38977.86164 237359.9951 130743.6377 49044.7127 31797.26386 9783.459369 7352.049997 330.790416 17310.51446 48.59070068 19864.74144 IC202B 923.3445237 10451.00613 4.07813e-08 410.6268687 4.07813e-08 1112.418401 146.0630507 332.7727261 3156.727081 8989.734334 13638.66852 16615.94843 15969.7658 9250.291713 2869.147541 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15002.8748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7418.824678 4.07813e-08 4.07813e-08 855.2591578 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13858.23056 1978.485665 8578.740474 106554.8421 2700.517273 1916.853033 45139.20595 5326.051634 N-(3-hydroxy-pentanoyl)-homoserine lactone 171.9122199 1050.380901 51.7002645 204.4554455 172.2474821 84.74386786 691.8276076 358.2558205 28.1637711 20976.06195 18670.29916 21298.42005 20705.08489 14036.0031 15080.9621 10481.3309 2592.81557 17400.82567 114.0151023 199.2087184 118.8875588 104.0120641 182.5650679 265.4084048 212.5073004 297.5572952 248.0605987 20501.89887 19949.51648 10131.62823 12802.67165 16355.3303 20952.52198 26100.57814 5167.51469 13971.48283 180.6446364 234.2001955 154.8982706 129.3337855 416.0685194 297.8425136 275.320594 229.256212 261.8197217 110.8455416 181.0767677 219.0522327 314.2363196 1468.691019 19766.43 346.4279403 16556.60357 796.6736331 3-Hydroxyvalproic acid 2135.169465 1915.218623 2542.264414 2850.240238 3604.569921 3301.329364 2777.644008 2419.564335 2114.975433 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5374.365172 4252.343376 4590.815429 5222.514676 12932.1284 6034.84633 4447.294984 4333.436302 5140.205867 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2575.391839 3705.868052 3286.510367 4426.718891 6242.068705 8626.602911 6592.190016 4117.210264 12289.29481 2826.715052 1994.098795 2457.278611 2059.631868 2584.856877 4.07813e-08 2546.080101 4.07813e-08 4489.676879 N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid 4651.188151 9051.973422 5160.20889 4163.958413 5221.576012 3045.525743 3688.242214 5621.687807 2871.658835 110520.3939 65455.85748 58024.45956 105552.3032 55950.15223 82141.0584 55882.03636 16309.12072 37710.66202 3334.494005 4609.928673 3772.9478 4059.474129 1809.391343 549.9660583 9772.318591 45724.54167 60035.96397 142619.3048 108193.7218 43099.20519 114104.0755 70421.90221 109283.48 139313.5973 54202.58025 65969.77297 3371.786529 2151.334545 5148.317581 2954.170849 4441.597045 4815.417892 1127.311219 45550.62498 13350.01389 1647.682581 2422.675382 10761.7911 9962.786192 11178.09491 105326.8592 12497.05276 86028.51646 6899.567463 5-Hydroxyvalproic acid 7374.027166 5063.075827 6876.238817 10411.02448 7824.990952 3157.856439 2588.144156 6404.529109 3873.674884 3644.310822 5616.91583 3657.539864 2737.865987 11622.36937 4.07813e-08 7358.242699 2678.763112 1598.717103 7465.795933 5245.823404 4788.326339 6096.167754 6292.65646 4506.87156 3181.960379 5054.749093 4741.521448 1888.344872 2023.783712 8033.494807 881.882948 5132.811464 82.99311332 1916.225891 2912.90437 5322.158244 5292.769948 4579.979613 4578.981636 4878.432841 6582.987204 7525.738694 3768.53518 4803.192866 12817.24357 2674.000836 2309.721822 5280.505183 3877.590584 3739.997115 90.67788224 5706.210418 1384.291345 4893.249191 PGF2alpha-EA 4.07813e-08 954.0936823 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31914.97561 39203.38988 57007.25676 30292.84592 63739.40463 41619.49201 38703.74556 18526.73117 9969.014788 4.07813e-08 4.07813e-08 550.9637542 331.5091088 4.07813e-08 4.07813e-08 971.6821898 4.07813e-08 4.07813e-08 25893.57936 28873.49697 39218.54063 32022.94658 44093.31056 51854.04817 32428.4633 39113.57425 45961.98422 9611.969141 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29308.22726 4.07813e-08 27739.73359 4.07813e-08 Prostaglandin D2 serinol amide 273192.8063 289841.3048 271748.5477 65120.05833 44229.75466 286177.2221 70296.10329 453051.465 320515.0601 50695.74443 33661.81333 438877.9647 56231.01026 407724.2876 374314.3277 102313.0413 755680.2754 222291.4522 80230.72649 89977.91226 262669.7938 220445.979 23152.20719 1243.695557 29507.62175 4763.684356 635.0174756 369225.3381 633215.632 81206.1104 284289.9645 247918.168 61994.38138 382716.243 525353.3492 117207.6068 345648.3388 40163.08853 243889.2178 97296.94835 48424.75943 50718.18278 1762.639684 3118.157645 1002.069593 252130.1018 595016.3505 331980.36 422441.4104 248517.1652 242688.995 351844.1864 41768.78939 92207.49771 Histidinyl-Histidine 21315.59482 16996.34359 15919.37274 9635.466853 18642.6107 21371.96596 16875.38266 19693.15743 23632.3172 8033.655011 5454.616862 2540.509386 7480.324346 3442.357293 2358.86069 1939.280209 367.8510998 5816.207335 57536.48379 54350.90999 51735.62412 45875.98936 56916.18832 57608.71016 52658.66297 62098.02818 66657.5112 4422.700557 6881.418974 3126.900145 3862.625211 7265.022219 5694.90517 5699.717481 951.7592467 1935.815358 29145.63203 39394.46339 35811.96331 51188.79563 50470.85329 54740.62182 63287.20909 56658.83999 73626.73022 36163.14186 25549.45457 29801.96921 18427.51035 14519.00622 5871.931484 21759.52418 4297.546676 24437.28942 Acamprosate 10074.12638 11696.04868 6639.497802 4747.373229 900.4557265 5928.990178 7216.547836 5161.506066 1967.389934 3066.007843 3035.689313 2332.620378 4049.94432 1974.770415 2386.527101 1541.233586 2904.318456 3033.891828 309.763729 136.5089236 534.1781708 1203.114932 688.4718029 467.7806386 2007.26821 202.6768209 652.9522032 2460.357992 2586.295902 4012.013827 2573.360048 2389.412065 3073.345954 5160.195584 2687.496946 1631.520052 13700.05174 742.5329532 1072.098491 518.706822 485.6088374 2350.06819 802.2889214 331.3441507 200.6676267 2298.066427 1943.027782 8899.167433 26434.79688 21443.05014 4639.208243 7046.765714 3647.460262 1917.593695 L-2-Aminoadipate 6-semialdehyde 2863.275462 6294.975914 4060.642076 4303.259854 3434.957294 4020.765564 3644.287155 4084.498687 4208.960947 616.8407112 1300.411004 1059.660371 1307.055868 746.3493143 1027.563655 664.0945273 896.7111511 1187.672422 4903.958662 6352.619033 5751.769566 4759.281086 6473.968428 5186.023172 4919.32307 5958.977604 6198.560317 862.2858296 1169.839501 1203.215368 1609.817751 1037.936115 719.7580957 579.2227768 988.7372757 1574.062359 4418.111802 4971.07469 4819.503754 5992.485892 4238.257749 6839.944144 4707.241605 4770.025154 5714.596282 4476.577545 5021.893627 5568.792262 5605.027859 7210.234316 633.3107344 5461.838527 943.9566946 5078.707853 Azaserine 6135.229072 3506.108721 4548.585778 6294.992775 2528.977176 5993.70378 4030.344184 5394.930984 9320.909782 739.0279781 638.5361315 861.8812722 660.4657225 840.961302 612.257068 1140.193651 187.0640959 546.2856561 11693.38263 6401.079357 7448.811096 5644.600295 8948.133595 12741.88736 7870.098989 1044.940524 1947.092996 80.69850548 983.2582359 128.6906407 886.2409059 654.2783355 468.9060547 1137.686914 266.7496917 942.9189172 5291.590822 7790.273763 6914.405744 27043.76678 4042.299913 3882.21366 5350.51193 955.3152656 562.2212504 5000.903737 4934.142563 6430.548063 3956.437585 5104.832971 420.2245503 4902.593296 708.6026318 1706.961694 Fluorouracil 1140.29845 749.3036535 895.9598318 1108.947548 1428.644111 947.0855158 1313.46735 1518.854663 929.0524294 88.16700207 90.71746717 61.83328596 58.19809803 65.19876949 4.07813e-08 4.07813e-08 105.1220194 123.0069257 3118.357559 4164.645326 3384.823418 2222.326166 3783.141016 3482.839272 3236.830097 2526.88981 3871.044419 4.07813e-08 78.20537059 4.07813e-08 4.07813e-08 217.6355691 47.59973921 303.1361559 4.07813e-08 62.56095605 1636.720245 3034.97107 2366.455345 3265.247207 2864.72194 3890.88213 2541.599089 2833.031104 3281.962773 2939.363616 2548.241306 2393.581078 2402.890276 2230.481928 229.9555101 2505.705357 83.14982868 2965.384177 11-deoxy-16,16-dimethyl-PGE2 4.07813e-08 4.07813e-08 4.07813e-08 890.59356 939.2594514 1541.15645 1384.50602 4.07813e-08 626.1908996 4.07813e-08 4.07813e-08 27.5830569 4.07813e-08 30.88596642 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 470.069817 137.436208 460.7986729 780.3689135 1190.637431 1577.222531 456.4937675 621654.0569 1207480.271 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 336.2330632 1674.244601 4.07813e-08 1633.371474 432047.4706 239095.3373 2280.884833 2510.019354 1731.079244 649.8387289 4.07813e-08 4.07813e-08 1726.223701 4.07813e-08 528.1430439 Tyrosyl-Glutamine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.529906728 7772.203043 10182.90173 4.07813e-08 5954.657358 1876.521231 8006.865288 7239.280866 6760.066431 1468.562475 4.07813e-08 60.69066503 4.07813e-08 4.07813e-08 87.65735681 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6363.475267 1639.612912 4067.034952 69.71253477 2893.545457 2341.562709 12526.775 3184.867395 1552.29731 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.139168628 5.952292899 2486.860215 0.336079474 32189.77598 4.07813e-08 AHBA 87.65103418 414.9908586 219.2379433 317.3496264 23.11035257 97.14283894 307.2292595 67.30095018 143.5452098 5477.746264 3316.561536 3368.218047 6681.412659 3721.444125 4373.108216 2610.315733 2051.561907 4975.781097 771.8049242 712.9254834 717.8891196 603.1078213 591.9949695 233.4583502 407.727219 648.7709202 804.8286759 5752.461555 4651.355338 3319.280345 3619.768844 5249.732012 7404.624913 7071.905914 2309.716894 4364.176931 301.4642803 376.967879 301.170874 433.9789448 397.3923993 652.375693 410.073282 725.3782619 829.4196275 348.3048249 405.5106767 443.1579467 543.4340335 1076.374162 6076.287487 313.8146466 4061.340493 530.0879048 Jasminine 285.9491951 2707.062702 28.84793218 121.8105993 155.7424335 292.8423376 354.8219144 586.5950256 600.0568072 2809.418011 1871.331621 1034.823372 3618.864508 892.0573624 752.6400732 342.041564 795.7732831 1182.571042 384.0871004 556.4862423 307.0942134 2.072111873 235.0823572 309.6693464 9.994525518 161.5479388 278.7479425 387.7542734 1378.141974 549.0285042 644.9633647 1161.56165 680.9734149 1178.824635 683.4010281 1295.290996 1637.504586 101.1393311 81.04322971 240.8179298 154.7228356 497.5119516 223.3230516 327.0162507 356.0911363 284.0508132 212.5592188 146.4620576 243.1503873 2287.122606 1314.390008 281.6145832 912.2541922 315.7637925 Orotidine 406049.3406 407554.3336 281425.3488 395922.9785 290368.8392 213686.5295 291546.7298 373553.5636 269091.1029 145075.7611 119325.3569 108591.853 133727.2543 113038.7081 141745.0659 73511.50764 106405.8211 150684.7441 280481.4725 271188.0069 360207.1293 450750.2523 355140.0084 21761.62847 392142.0735 407132.4578 111545.1159 147759.9126 160657.6801 131396.1679 140681.0575 197971.8469 154981.184 179789.6109 91773.99277 129626.9239 442309.6838 330322.5697 416947.324 155950.026 411779.6532 468173.5077 26419.29003 367972.4309 487210.8221 16013.74699 88967.43989 207083.6148 437088.4172 380971.2046 188226.6102 203121.9839 117260.1117 209501.7246 Pipecolic acid 512.0223763 319.7749802 799.418608 630.9239497 686.5210767 963.491326 455.4651722 692.9654056 398.3576297 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 94.28940789 1445.325354 645.5554703 926.9944813 1297.447101 1944.185812 2934.224297 970.0890379 2322.636717 2075.153721 46.79858524 75.57496082 47.77773698 4.07813e-08 4.07813e-08 36.77314786 4.07813e-08 4.07813e-08 4.07813e-08 483.9872061 799.0854938 1266.496084 1175.947806 1609.117501 1525.665635 2667.561002 2505.672344 2751.909723 895.2214241 438.244437 859.7765007 609.8436786 605.2717303 48.914041 937.1516723 4.07813e-08 709.9034594 Pimelic acid 140.1126124 300.2858959 92.16366105 121.176319 667.4206726 74.45067284 820.7171518 188.8102646 142.9221114 1979.536822 7178.137547 289.3743498 781.3191966 906.4427646 5235.626457 7372.700062 7731.764043 861.6161955 474.0902247 430.1755009 331.9178278 260.5583191 554.2504893 333.6291877 135.0554824 723.7554902 1048.439289 4624.949473 252.8922134 3822.786465 324.1044911 4582.800058 3667.981552 1547.799257 2482.607071 2068.417607 104.9833647 388.1251236 574.8671114 505.7129829 452.2501069 790.3165204 395.6199711 584.4292069 276.2858729 241.7408549 343.4653121 337.2968212 531.3059825 612.2202266 7150.83306 559.8189142 15359.75646 2608.837622 Feruloylputrescine 1304.847171 907.6972681 1160.333625 1373.545165 1151.214785 1584.656706 1304.482069 874.6225853 861.1968992 299.7069749 737.5790565 391.8451944 330.1894883 160.2494936 271.5217652 4.07813e-08 224.8432187 243.8916099 2249.46669 2580.20417 2588.850106 2231.630803 2963.010808 2415.252739 2305.904436 2701.189274 2524.086648 169.8361015 785.9294404 469.3644527 223.9406385 635.5242592 625.8743058 496.2842353 190.3616978 464.1392802 1606.229655 1725.601527 1902.480978 1935.295976 2255.224306 2513.083065 1697.165603 2943.054336 2940.156479 1874.16825 1940.763941 1388.221419 1853.636418 1667.322844 508.8490661 1033.448978 160.0016248 1988.987685 5-(3-methoxyphenyl)-4-(sulfooxy)pentanoic acid 4.07813e-08 478.6046533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 395.7917349 1155.511515 90.91274843 13931.49989 8556.632939 422.203206 13191.07058 4.07813e-08 9729.15703 4.07813e-08 23715.37716 37609.48869 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 16744.80236 13644.02158 4.07813e-08 10438.5459 18442.89438 5932.283928 18198.78547 1316.328003 428.3799088 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 292.3624315 858.2064759 21284.09791 4.07813e-08 12179.17844 485.1184434 SCOPOLINE 1013.708761 353.6260954 1405.079037 944.8108553 1698.048305 396.3434913 1305.034415 973.5011327 912.0897593 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2849.361655 2775.938877 2397.314245 1966.184772 3262.609471 4449.872799 2973.53824 3807.343428 3083.087284 4.07813e-08 84.52116601 74.21261841 62.32850823 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1740.815412 2255.360742 1281.280008 2497.244313 2998.17042 2932.892647 4202.635408 4356.082131 4429.952059 3017.119224 2123.706627 2189.201916 1096.023169 844.950271 4.07813e-08 1597.405434 4.07813e-08 3339.394918 Reduced pyocyanine 1200.411909 507.1616074 873.0230541 465.9644806 316.7742603 1392.524901 683.5140705 877.0786116 487.803146 4.07813e-08 98.09857988 4.07813e-08 119.787878 128.988087 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1205.032854 582.0448223 758.2772037 1604.086948 886.384436 1061.765166 1082.004621 1558.363821 1654.129953 134.7595781 4.07813e-08 4.07813e-08 194.8097819 50.83937537 52.80322344 68.38070483 56.48533721 4.07813e-08 1188.272602 914.6980871 1171.328428 929.9326973 1347.177279 1368.262878 1507.969249 1960.221194 862.7140514 1581.053854 1262.884771 1326.450302 1167.330624 964.8119158 131.4008471 1036.839798 4.07813e-08 1000.392623 N-Heptanoylglycine 11673.40718 10689.35463 7251.099909 7679.562733 5895.355383 8364.767918 13391.81874 16739.63442 17180.16327 8860.687895 13120.77793 25209.82568 8014.39163 20579.77801 11216.91269 25423.26128 8091.449734 8595.263933 5779.675195 4411.985324 10345.08398 4688.096289 12614.80703 11037.31879 13170.308 4420.578436 5080.566292 19767.82331 21498.82398 17023.46472 17210.97711 19352.16478 22287.71241 22458.99472 17773.88181 17338.11212 21785.46244 5709.342329 5582.528856 8670.649655 4771.210425 5740.458758 26782.03556 5426.436145 3764.072554 17601.32198 6587.767638 22971.83452 15231.1748 21490.5661 17519.32589 32366.85374 17558.15378 14545.49863 4,6,4'-Trihydroxyaurone 4.07813e-08 735.8155591 466.3710228 995.4958537 173.9980411 348.9254005 365.2707413 220.1470752 411.3367911 78180.13146 66543.14376 99534.19697 77805.4216 83991.03797 100448.1528 68414.14221 97739.68591 104315.4703 4.07813e-08 4.07813e-08 777.0413452 197.8257623 4.07813e-08 19.69549188 423.7596209 54.19826655 55.26562567 200979.0833 168745.2449 42579.00357 176593.3247 196296.9144 71974.049 210495.7431 94415.89192 122043.5629 2764.273551 442.6828702 233.2921803 4.07813e-08 177.4145877 361.7212064 3.885565591 29.90797851 4.07813e-08 44.48879441 564.7179833 476.5149028 1644.228535 1915.810069 222722.8326 1107.775094 194956.7954 555.5428099 Eriojaposide B 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 178.2831023 4.07813e-08 4.07813e-08 210.8486643 181.6097432 4.07813e-08 26836.95395 368.8418136 4.07813e-08 1398.172885 5975.921604 26796.53844 66759.08433 4.07813e-08 563.7680128 691.1343142 157.6175349 316.0285902 289.922662 411.7227104 386.5394332 4.07813e-08 148.352147 41130.40639 4.07813e-08 68999.27101 4.07813e-08 56461.73711 51565.54107 4.07813e-08 72038.86123 1309.416942 4.07813e-08 174.3801283 176.6481118 146.0733226 537.6274605 172.5049847 362.3229297 4.07813e-08 449.7483453 161.9518042 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2383.70616 4.07813e-08 7066.798497 4.07813e-08 (Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne 4.07813e-08 17.92564553 8.29420595 19.0120386 4.525103685 26.76477207 52.33603858 36.09914066 16.58147906 36514.39667 20096.57476 22022.56955 28410.83059 19876.00953 36292.34996 9680.857407 20408.08376 12832.0018 4.07813e-08 1462.330309 6.919270133 4.07813e-08 1.337412407 4.07813e-08 10.4123565 11.04828268 4.07813e-08 45205.33274 30328.32466 25163.47125 28715.99658 43530.87976 33637.53088 47589.47622 21289.43667 24227.51866 1.675727571 4.07813e-08 6.610832008 4.07813e-08 0.542744295 4.07813e-08 19.12140267 4.07813e-08 6.605620844 4.07813e-08 4.07813e-08 956.1054181 155.1821023 1604.436826 39541.01409 539.8403741 28012.38705 853.349184 ICI D1694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2198.49873 4.07813e-08 29386.03021 4.07813e-08 33482.16907 211305.1937 9434.191144 23010.69249 21528.19766 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 67520.88747 60304.27562 4.07813e-08 175812.6188 7650.280115 1570.593604 204488.0488 80181.11695 96266.35012 12629.69574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 694.1636457 4.07813e-08 4.07813e-08 4170.683262 7039.259827 28191.93058 4.07813e-08 17713.08402 4.07813e-08 Bis(glycerophospho)-glycerol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 494.0483807 1680.352532 4.07813e-08 4.07813e-08 24.61133963 483550.5873 509666.1633 374614.3389 480922.8291 754437.6854 433357.3512 611572.1777 755954.038 862701.9931 4.07813e-08 1033.897641 174.7562776 264.6980322 1348.182906 4.07813e-08 15.37327741 833.9635223 225.6846171 574383.6196 584157.6872 986892.1791 485044.0745 1123836.578 284826.7275 214124.3645 474409.6186 762939.5353 803.125976 4.07813e-08 10.23238961 89.85501247 4.07813e-08 967.6984264 4.07813e-08 918.3654752 695.8310006 4.07813e-08 3.431301679 4.07813e-08 4.07813e-08 4.07813e-08 654434.2153 4.07813e-08 321565.4916 2267.086652 5,6-Dihydrouridine 39.66048503 119.2746051 4.07813e-08 18.61858756 7.911485102 30.76447947 21.43417323 65.4308464 4.07813e-08 8696.441361 7289.381574 6016.485654 7692.426779 2569.385286 6910.959043 2680.450407 3035.295575 6279.202282 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6497.985848 3856.985742 3465.255179 3565.814202 2526.893357 4693.631403 9196.265383 1604.044662 2468.337292 14.21583694 6.502608086 3.258283723 0.085976687 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.360458261 26.75435543 42.11330262 5710.345448 16.48987495 3726.75375 41.71594008 Isopropyl citrate 312.4184627 4259.441089 157.1372725 2105.625895 1309.355515 1359.269971 4354.696387 3916.932982 2441.532904 58054.61281 88601.87161 113690.4365 38468.22247 114906.3062 89115.91512 64557.03816 36472.43951 21742.93577 617.5903121 588.0373929 144.1842408 83.93902841 337.3120672 378.554226 225.6920971 827.889968 888.0912565 98345.84104 102499.0418 98871.04035 11374.44593 95246.39745 114533.563 142559.4075 56619.14511 94004.11908 29.01412909 148.8391259 92.70750232 829.024112 223.6533506 387.637855 377.794462 1733.946579 183.9256924 322.5837436 1053.853262 438.2365638 1702.132757 7391.393019 120694.2923 2128.155177 99559.20123 7895.282836 Nicotinate D-ribonucleoside 1187.321594 1102.212341 1244.184136 1079.688331 1026.967727 1853.482801 1545.851667 1290.587329 896.7645927 761.2952313 564.3603584 672.2867246 684.2872126 959.586676 532.9290321 375.3068356 248.954973 628.4570265 3969.154795 3976.24885 3481.701843 3461.270109 4238.215796 4269.224673 3302.395724 4481.672611 3804.170328 1080.169113 1286.745398 891.1370697 1028.651358 1249.757163 972.5946564 1918.314072 196.2354821 263.7277719 2541.230408 4132.164335 3288.874727 3759.307817 3464.636155 5033.68973 3026.234547 3819.902014 5794.521161 2860.596471 2381.177781 2846.711891 2198.529536 2602.119856 2071.335387 2395.161194 1024.537229 3086.309998 Sanguinarine 29839.06632 15695.79997 22194.99666 22126.88736 27016.87749 26788.79389 19840.45527 34073.46012 35688.54176 1077.055674 483.0138903 614.8247487 884.5572595 470.6683877 375.3438954 79.2870454 457.3892239 7646.138679 58494.22147 55303.29106 56085.31067 38084.54699 48713.08189 44166.47963 45965.34577 13456.34027 13178.83242 529.7109352 1505.238314 928.7473852 623.2398957 1289.735355 408.6498181 1322.433663 1246.297243 808.9114276 33510.83349 36458.22012 27981.07106 42442.37927 44898.87431 50541.02614 41510.57857 12697.93814 32950.67317 32559.34795 25500.79439 29730.1361 22579.1973 21716.61375 722.908324 28397.5109 630.3354469 29524.81886 Mizoribine 26897.67821 51743.72901 33177.16175 21816.77085 18265.00594 19654.79342 19591.26205 111923.4876 69381.14188 3343.320316 2633.3985 45207.05983 4730.120879 2089.184385 7119.433487 769.0107272 3248.176585 2750.355012 49740.6697 35986.76908 37152.99064 19571.45011 16401.24038 33907.62467 30422.81543 4976.698522 9930.255671 8921.172783 6270.51534 1202.936734 12937.80677 2003.735403 1785.137942 2835.024718 6754.395569 3136.405045 33602.10545 29105.76839 24127.25808 43099.0288 37197.47902 26474.68046 52589.0427 6735.017881 4602.104221 82683.95754 46755.1053 124417.52 80027.40364 151545.0617 3613.512689 96165.0016 25644.45544 33628.95429 10-Undecenyl acetate 18766.53602 24809.63 21761.53432 25133.51908 25917.8006 46096.33188 56996.90875 9296.538454 23088.29735 2122.360386 1385.406991 2019.287693 1812.240841 1813.110968 1276.694614 2705.807865 1906.438996 2338.634247 18923.24002 42623.81616 25572.02124 29763.4263 52786.41099 64300.79981 44162.06169 4495.201731 9263.811921 1066.460643 2321.07853 2156.310063 2248.705925 2232.369879 1669.805891 1780.901075 2903.865207 1851.169692 9767.7724 44140.71435 13909.67769 19239.97937 43060.12417 37073.38031 77019.98663 5534.662305 10596.77852 31857.15494 25265.40215 42938.21974 14547.84464 8403.144853 1431.190432 33899.66287 1815.190333 12027.20007 5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid 2018.539173 2179.980423 2508.40198 2507.669154 3470.51588 2526.419141 2334.755135 2590.512451 2124.821565 485.2940177 488.2555453 574.5785197 485.7914668 171.3015419 493.9092947 130.2104828 100.852123 765.7911566 4696.219696 4884.246192 4779.420828 4319.625806 5447.327999 4760.001382 4918.02023 5595.981525 5532.842835 914.1813127 578.8047788 508.3484375 407.6959956 894.2906266 586.6278582 1032.01589 263.0365791 530.4169432 3615.462133 3477.917425 3436.615513 4324.425358 4151.174232 5458.645614 4556.419556 5873.658911 6114.80917 3932.831021 3068.102688 3720.374175 3510.94047 4567.836063 1348.375488 4219.597692 475.9085503 3490.647852 D-Proline 2723.639429 4720.663368 2940.305939 4517.490315 4622.023659 2325.433415 2383.250085 4152.465201 5287.99248 3608.090006 3635.06127 4789.930138 3849.353146 4019.665253 2105.954745 2745.030259 2509.407239 3004.630026 2292.212678 1171.508388 3223.70582 1272.965962 1636.28826 481.9305054 2370.863691 4940.039277 762.4847541 2828.971164 3380.64941 4334.048036 2748.381155 3447.440513 3439.576517 3538.637359 2187.692718 3408.989751 4771.21474 2808.429148 3809.460125 1130.155423 915.1463866 3545.27363 501.9446234 3738.775083 2155.809155 377.4117732 926.1061372 2042.660175 2605.55217 3840.833311 4112.041296 2621.037097 3501.027465 1397.248472 3-keto-2-methylbutyrate 1862.665395 2215.46846 2294.232056 2804.974149 3051.381306 2081.660559 2239.438781 2390.081733 2280.374024 1064.588192 758.1305826 990.2208453 1004.786 499.6806526 934.8906247 331.0179673 1393.259643 1078.92999 5750.048746 5863.759286 5471.917651 4344.180239 6684.416548 5389.431848 5392.940491 6171.055251 6286.266572 1282.79342 1230.941303 1449.377027 1288.891209 1270.805916 1312.059006 1847.246426 727.0145063 853.3889603 4027.302997 3945.087565 4038.88603 4786.993594 5066.537031 6763.995922 4540.015686 5915.638265 8324.316124 4245.971406 3735.246549 3981.948209 4397.62777 5719.107327 1825.837 4737.065976 1686.098733 4351.914618 N-Acetyl-D-tryptophan 195.3098427 205.9426422 327.3268638 302.8450224 449.2408034 171.3984891 323.7772216 139.6171933 161.0118204 4.07813e-08 6.828393533 6.536403251 51.17978014 339.5861821 4.170410445 42.87124349 40.87638041 14.84837833 240.8024177 273.9359915 224.7775101 376.7039225 364.7412592 255.3328947 237.0427352 297.5131136 310.9375942 0.598872687 4.07813e-08 146.1373318 49.90615588 38.97310631 1.805559224 64.00234443 4.07813e-08 0.97778561 160.8324665 210.5253921 304.7469456 212.4106787 312.3717404 367.4546044 110.8575961 205.4087045 451.6065082 193.5001417 20.11040726 104.0245714 98.58920395 144.3795089 27.93564928 176.0361657 2.891972541 110.6756984 3-O-alpha-L-rhamnopyranosyl-3-hydroxydecanoic acid 1905.576838 1067.140615 2270.325739 2790.18302 3600.094317 2550.542442 1468.414959 2443.490694 1969.699979 4.07813e-08 179.390145 237.2933688 56.02994562 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 353.3662269 10963.91438 4197.692527 18031.30729 4876.933081 6647.394877 7031.484379 4541.035387 4694.269466 4838.865468 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.12336953 108.4411402 4.07813e-08 4.07813e-08 2756.009076 3660.274932 3611.260381 4281.479096 5480.164165 5871.837085 6857.929822 4385.360719 5536.629358 3958.360154 2240.139241 3581.339802 1722.272599 1660.608537 4.07813e-08 3521.470189 4.07813e-08 2852.475351 Dibenzo-p-dioxin 4.07813e-08 493.9010033 4.07813e-08 4.07813e-08 149.5293181 4.07813e-08 118.3623039 136.0640275 250.1680739 1700.845848 4.07813e-08 1453.649266 1864.319841 1753.97639 223.7205382 434.0998322 98.70874969 15789.83573 4.07813e-08 114.5931429 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 116.814144 4.07813e-08 4.07813e-08 3928.048052 4.07813e-08 1447.232573 4.07813e-08 4.07813e-08 870.6863217 4.07813e-08 830.9301225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 745.1025793 183.3138965 5.304508788 111.236654 Dexnorfenfluramine 4.07813e-08 252.1140261 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5425.55334 14350.9636 1476.717853 4304.065837 3906.891594 8164.541764 7277.370623 19816.72649 547.8886115 4.07813e-08 4.07813e-08 0.823120199 0.00298644 4.07813e-08 0.035440062 4.07813e-08 4.07813e-08 4.07813e-08 17075.04804 1817.834656 29662.57933 2223.368025 14575.17033 19167.2016 7843.668085 19497.78188 23428.6826 364.6696799 4.07813e-08 0.017954943 0.370420201 4.490583614 0.001008446 1.438057413 4.07813e-08 7.111976741 4.07813e-08 0.140879121 4.07813e-08 4.699579722 4.07813e-08 10042.83742 4.07813e-08 14197.74314 265.2400696 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-olate 9504.435109 5272.885134 9840.339185 11916.83582 15934.23918 11327.62601 10639.77713 8239.805967 7902.953163 421.5698233 4.07813e-08 4.07813e-08 417.7670988 4.07813e-08 473.0017582 4.07813e-08 4.07813e-08 4.07813e-08 17675.71864 17628.87567 15658.01751 16754.1274 21939.83283 21255.63864 17439.90541 19817.64793 16036.19135 1910.936404 4.07813e-08 4.07813e-08 10887.76286 4.07813e-08 4.07813e-08 240.2327107 4.07813e-08 354.4499024 7390.594871 14037.84439 11868.12247 18105.86004 20771.32023 20504.47473 17914.39296 17900.03488 18171.92538 11713.09392 10406.26683 11950.82279 11913.89552 7226.447251 516.2573499 11736.69557 121191.6449 16157.80346 1-Methyl-2-oxopropyl butyrate 9892.952731 12221.22261 11117.81488 18401.97739 12857.07837 12999.79668 15696.24502 3974.401056 10162.99823 235.2916035 173.2403572 4.07813e-08 258.0634907 4.07813e-08 715.0333469 4.07813e-08 4.07813e-08 90.99756206 14933.09147 19025.50067 14116.10458 18730.46178 22897.52214 15062.25129 18707.99411 4324.278568 7505.934735 4.07813e-08 149.7991723 179.5447512 78.58097569 279.0899379 1310.975239 4.07813e-08 4.07813e-08 184.0313746 7815.906122 16613.13051 13610.06299 10947.18898 19331.56007 21785.83211 14062.78316 4599.337676 11987.26774 19703.66416 12572.22083 26569.73714 8570.650514 6336.65318 1215.805732 12102.15664 4.07813e-08 9216.470579 Furfural diethyl acetal 4439.08317 4844.608989 5409.326254 6172.36586 4981.497606 4591.535204 11648.7233 1273.60454 4085.117504 106.584455 234.4470266 4.07813e-08 181.3685506 124.9298044 4.07813e-08 4.07813e-08 4.07813e-08 117.7352418 8205.507208 9030.655159 8688.181475 12528.20521 17098.40541 8267.849456 15350.33638 4503.677878 4943.097435 4.07813e-08 153.8173858 295.5849297 4.07813e-08 298.4701627 95.62148914 4.07813e-08 4.07813e-08 208.8144039 3960.916416 9008.273801 8194.088559 5288.341233 11950.50395 15140.84183 7041.569003 4073.328602 5809.17727 10938.47272 7280.979416 15371.08423 4276.882803 3519.758942 467.690239 7912.851023 151.727072 3603.516076 Cyclohexanecarboxylic acid 26977.30485 12136.33123 15040.8757 15797.20076 11165.91182 23854.23357 12617.70522 5258.298273 8287.337905 2202.592862 905.6064102 2731.555123 3454.518436 1589.889689 1016.178344 646.4374193 269.8938735 1524.29563 13279.12271 9549.439548 7702.758357 9150.670109 7778.473025 11314.17497 8700.827513 2993.610122 4755.238358 4.07813e-08 2968.191736 1345.752198 948.4679142 827.0308834 731.4965764 3037.933411 348.4305838 2588.758344 17813.72678 13858.59669 10359.08201 4816.463197 6705.253738 10498.09167 11411.59385 3500.122 2488.041753 8334.264223 13177.83832 20124.59708 7976.709728 7399.129451 1385.384165 15187.66354 1641.770825 7846.469451 N-Acetylphosphinothricin 4257.766289 5254.452958 4055.34611 3469.701883 5430.655112 4204.457988 3641.29717 3648.927981 4862.158217 3032.484042 3679.170806 3337.624395 3512.040515 3363.812313 2893.431916 4188.700211 2648.924233 4496.073084 2444.008907 3157.234683 3413.724427 3151.931829 2480.443655 3138.459517 2381.57657 3613.69368 2374.282388 2584.193686 4282.006163 3883.753607 4043.046962 3122.587115 2858.545064 3055.93161 3269.059671 4933.658992 3463.825359 2956.579542 3076.464045 3199.385869 2519.562344 2720.477748 3572.513854 3544.340748 2975.700517 3563.825013 3554.577326 3426.664691 4072.620448 2430.246513 3111.064429 3547.554674 3606.46482 3510.508003 Ethyl 4-phenylbutanoate 4.07813e-08 251.6556047 4079.739624 1416.039917 10052.35044 10381.0736 6669.087743 4170.390158 741.3785346 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5793.978756 4388.291081 3980.850773 1566.269079 567.8114475 7371.826334 2382.543357 5023.155681 7644.232982 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3857.703037 464.3679569 2556.339285 4.07813e-08 365.0419497 1822.858122 8090.891534 4257.119889 4040.502966 6198.309244 10828.08588 7547.902566 1529.838519 630.6837703 4.07813e-08 6770.948002 4.07813e-08 4765.151446 HC Blue No.1 382.6268207 315.6072415 4.07813e-08 4.07813e-08 366.5323855 4.07813e-08 478.1308509 1286.120516 1545.497052 5204.840827 3690.707059 2943.562224 5360.664573 2237.289842 3050.970166 1854.776508 1165.703724 3979.377418 3492.669892 2400.793013 4732.486387 986.49989 1833.208905 3161.0701 2665.929941 1577.313119 6629.234323 9836.445877 16573.47603 1057.637778 20346.39748 3971.048907 3303.295726 23266.05581 1108.346569 4296.831591 3191.851108 1726.190099 1347.231718 5056.973045 2893.881883 3288.509292 3615.93581 2946.905039 2809.433444 2137.276095 4.07813e-08 1421.328076 1441.485777 3260.18894 6974.464079 1553.92312 8793.47585 39.34662403 Propionic acid 3305.578681 8361.555976 7025.277865 7400.911356 6234.400434 5735.475532 3104.725375 2634.711129 1732.352362 1484.525466 275.1903144 3039.329909 2053.704271 4.07813e-08 92.56634631 4.07813e-08 4.07813e-08 4.07813e-08 4915.067793 6776.878883 4020.528299 2249.081423 4592.10781 3080.36349 4557.150083 7197.488146 6798.029156 319.8477745 4.07813e-08 1234.563616 547.5287094 67.8170414 4588.759255 2572.864225 1816.074806 1305.906995 3259.371192 5885.334458 2878.954145 3612.179912 3306.136946 4208.178919 3451.598434 7844.134741 6798.956362 4039.393228 1127.982695 2935.625239 2225.113081 2335.263266 760.1149918 2408.742227 792.8186105 2705.670984 Miglitol 5863.321927 3651.807661 2448.441226 1485.550834 745.839362 4054.292124 3022.934561 7326.234733 7531.632286 2809.468646 2340.700773 727.0712512 3231.884985 1280.024847 2824.08079 676.531482 1569.291329 4272.409999 10849.85373 8173.684176 10772.13024 8698.528946 10322.50795 13228.96433 8989.057255 10182.28816 9143.783371 3448.727518 2460.016685 1538.230354 2198.491061 3372.546927 1513.449888 2940.650062 846.8428358 944.3870765 8030.942882 6716.501586 7626.97681 8562.762355 10528.07681 7825.841755 12286.75656 7532.125986 9497.964869 7204.821902 4650.788439 6198.373899 5404.087514 4760.737686 3519.898901 5051.093732 2770.381552 4893.857105 beta-Alanine 32295.77519 4606.934955 20067.64677 7977.850381 6524.715475 6996.445967 9097.221759 4697.169888 10401.85456 789.9678354 1405.772113 605.107812 482.0402945 1818.561348 408.5157974 713.1543205 520.3392529 2316.13686 12536.62563 10635.98998 28972.05369 42197.34189 4994.20039 3329.994141 8329.9903 89081.48145 81479.78197 996.0566895 1177.972529 1794.673189 1073.816006 3442.841145 745.162417 405.0469741 833.8332449 1551.645516 28596.14638 6202.937896 12433.41013 2643.038389 14245.95374 12301.96149 3338.573832 59267.95914 47436.44424 10701.15233 23414.46072 2994.594454 3233.062161 1400.776896 1701.118764 2690.866035 691.7933832 8058.877736 Dopamine 4-sulfate 4247.262089 2189.472167 4648.175553 4789.968952 8259.510564 6874.830234 5321.796462 9525.217792 6200.275308 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60.51214988 19142.43235 9199.467845 17577.45958 12352.9966 16026.78208 24410.90463 16729.99992 15858.14559 10200.57601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12.193385899999999 4.07813e-08 12420.99621 5161.070914 12870.8785 18740.70962 13613.34501 16846.11742 22931.63296 19487.25048 5641.41957 25743.01359 17843.95232 11655.23676 13586.30866 16954.42471 10510.49843 11313.92746 3887.872983 8039.780138 Neryl diphosphate 973.7336246 533.3428004 525.5957992 637.9679648 985.5330127 500.0629475 645.2645825 645.3602653 462.6276224 359.4891757 64.43859132 277.7662808 638.7393306 56.43080213 517.645822 74.14926662 4.07813e-08 309.0366614 1678.237299 2404.569089 1869.808478 1076.296066 2126.739904 2010.288009 2056.068945 178.1262371 458.5128642 276.1022262 234.2580362 195.1388032 78.40984321 181.4522709 202.8518606 469.4044046 4.07813e-08 241.901223 814.6805165 1486.858995 1338.932744 3409.679443 2429.638185 1175.822956 1742.103216 294.5265272 1424.342886 1704.443422 1040.513661 1875.840499 961.2886916 1251.537713 909.8721456 1821.867635 417.8662702 663.3010656 N-Acetyl-ala-ala-ala-methylester 1263.793819 10194.58103 210.8521908 1635.038257 957.4930477 3392.542174 2478.000795 4304.541322 2476.637929 68917.05037 57118.18802 41679.34512 71388.50117 41494.6875 44042.35308 30549.43893 49239.01324 54227.27489 231.0129578 282.4460355 198.1986517 160.78445 152.4695329 169.6956985 160.7672153 312.2667483 259.1201691 49046.52299 53470.10754 51930.25228 40994.3094 60653.98171 41220.47783 48280.97227 29319.85782 55790.0398 228.6015094 127.8613846 215.1537279 252.468546 168.1794485 219.1318884 140.7009754 181.4164952 4.07813e-08 59.41193424 417.7596437 624.5064789 2913.848239 9483.840133 64215.92994 2574.550524 53287.37305 2659.85105 N,N'-dinitrosopiperazine 12365.85714 13010.7749 12870.15627 13117.05029 13934.6689 11906.8368 12256.88329 12151.02044 13172.26954 9942.040465 9167.831255 9791.906487 9940.407514 10222.4812 8546.908416 12139.00077 8826.137868 12882.55778 9384.226173 10608.78258 9705.255 10146.03107 9325.111557 8574.89612 10814.9818 10926.07665 9373.931053 9059.711853 11048.75239 9855.962974 12259.99606 9486.467435 9187.999025 8749.621089 10618.10588 11973.25073 10768.14258 8965.545959 9547.004342 8295.495755 8770.829424 9332.635418 10202.09483 10557.52153 10163.42317 12320.52731 11807.88847 10070.77335 10351.126 9846.419376 8391.109862 9975.595187 10995.83546 13537.1801 N-linolenoyl glutamic acid 32155.42302 21020.55197 66647.75576 21846.61814 32266.60077 146678.2111 49900.78677 42425.78978 60999.99031 314.4929603 4.07813e-08 4478.904396 554.3037847 6530.497907 4181.782266 926.6335793 2434.154519 2118.349129 114172.0122 226510.6177 156041.0781 204548.9612 375092.404 494420.2974 223808.3941 55781.0325 56931.88961 662.5311565 1443.584645 4.07813e-08 201.4503351 12.34662382 3.390930706 175.1753523 262.06097 79.95731275 41766.85081 113327.9435 113976.6306 187248.7265 209402.9363 271504.4287 396308.6034 51634.20695 80313.54121 333986.0111 142607.7582 194844.5823 65552.31572 40524.46501 27615.69379 95716.46295 704.2664552 88212.33398 Levoamine (Chloramphenicol D base) 1417.156417 3610.411403 1148.845374 951.4031048 4.07813e-08 473.4674864 2300.478591 4461.053889 6464.253725 362.2260933 767.1802169 1075.202354 395.3193656 530.0603719 249.0569752 135.1575555 96.70845219 402.1025125 83.81694833 4.07813e-08 65.73093364 107.6319161 4.07813e-08 4.07813e-08 177.5230713 4.07813e-08 4.07813e-08 563.5867756 224.5248542 269.6363168 41.39924472 136.1827588 437.772587 161.5796675 222.9730483 342.4975857 80.82840838 86.05818817 4.07813e-08 225.9726675 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3316.883427 864.0905633 2438.873663 4158.902935 262.6588873 1606.253264 145.4277783 988.0866343 Phenylglucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24598.22751 29044.28791 5902.411264 14196.47428 3728.406032 17150.50297 1035.46262 17823.85204 7454.775809 4.07813e-08 31.07433286 4.07813e-08 8.83385302 4.07813e-08 17.51366058 4.07813e-08 4.07813e-08 13.3453549 49629.82207 30922.54936 4104.235289 5507.596521 26127.15136 15300.71841 55803.10967 5798.728135 3785.66325 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.20660093 45.02929112 4.07813e-08 64.20882548 4.07813e-08 26.86750708 4.07813e-08 4.07813e-08 4.07813e-08 47.3200158 62449.37035 4.07813e-08 31323.4837 4.07813e-08 L-Hypoglycin A 583.2364002 231.6849179 534.7628523 448.9450441 470.7944592 672.55458 790.7440078 538.1333119 519.1249137 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1830.753799 1474.01287 643.8509268 1573.263204 2404.814776 2329.894725 2218.238925 2016.83243 2553.666185 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1131.109974 1565.658528 586.1915757 1397.132158 1832.509711 2207.800813 1958.862212 2259.380547 2597.562562 2135.868789 1323.653764 1220.048543 705.298159 527.4288043 4.07813e-08 1037.42332 4.07813e-08 1870.078513 Aspergillic acid 107270.399 62092.63086 117954.925 101279.7524 152567.5176 125152.8681 151617.6684 113655.1455 89340.67185 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 181004.5241 326917.7442 64896.57189 198126.4646 367031.7494 381928.0895 305573.2743 279855.9638 364098.9824 599.8494291 38.45848652 4.07813e-08 462.5532309 102.0155489 57.65912074 1074.375795 4.07813e-08 4.07813e-08 128480.6903 183361.2727 60508.51277 168601.6757 271364.8466 282915.9947 362913.5653 258994.8483 330191.2186 276080.4879 194947.8056 156548.2919 95345.14875 66536.46073 80.25885158 119081.1025 75.66672086 271501.8723 Maculosin 39.75822693 8.335507917 20.17143621 27.07483124 7.294504055 9.353565797 47.59831446 88.93776522 84.76238727 136.0514704 148.051475 305.567773 135.4812538 1.359175049 166.4665452 13.50713673 129.6262365 0.729913699 568.1728072 541.4608091 434.9656013 609.0077433 446.9612573 494.6246639 434.8811329 393.6155181 685.3339881 415.2183381 87.62298209 72.10879076 125.2270276 179.3078809 26.64884963 88.63752355 185.1170871 4.33334363 9.122998402 200.0182079 386.3485996 564.8363643 319.8803588 674.3195381 463.0719281 588.1994726 709.9778842 283.5272555 286.5372291 277.7187662 414.5030958 343.3150481 234.642985 273.0640546 194.5619856 637.9968972 FKGK 11 1303.496403 1002.650848 1147.857455 973.4794096 1232.326942 1383.561287 1304.150819 1227.82929 1227.227427 1013.389388 408.7630131 537.1985974 670.904567 388.1020484 720.1492394 73.09154278 247.7937189 581.7974371 3112.760307 2547.488949 2311.283551 2200.28571 2780.391834 2425.470835 2282.069862 2370.950985 3426.273941 292.6918515 214.4995988 379.4745962 350.5025488 609.9714802 367.5788273 1151.647851 4.07813e-08 323.5526303 1200.75555 2000.363108 1833.017351 2380.821835 2371.441292 3325.823035 2505.614324 2523.06734 3581.302571 2233.145987 1445.045054 1515.305125 1542.546942 1627.644663 763.6178858 1669.818936 1175.484656 2245.129535 (+/-)-Ethyl 2-hydroxy-2-methylbutyrate 3022.77309 1957.405127 2586.483778 3049.495965 3439.173632 2893.118256 1913.840795 2539.696627 2457.025707 143.5154666 344.519604 317.4645487 338.2654465 316.6586854 103.8613904 171.5825069 4.07813e-08 119.046531 4856.895397 3871.450209 4716.628204 4722.209981 4862.292964 4900.151885 3653.105805 4180.630847 3904.500761 59.33293998 131.888918 124.3002913 53.12945448 112.3431165 411.9063122 259.1719941 43.47869222 403.4083794 2556.850382 3304.182726 2896.82265 4042.205376 4694.653094 4214.634383 5126.739852 3877.573351 5715.931718 3255.75761 2302.57367 2902.146782 2134.611335 1800.575809 71.76352721 2101.489703 123.9539125 2678.825319 1-dimethylarsinoyl-(2Z,5Z, 8Z,11Z,14Z,17Z)-heneicosahexaene 1211.054944 3143.077969 653.1043798 1429.843986 759.9660861 1371.297001 2640.136095 4334.106412 5300.410871 4876.669362 4554.607707 2444.222743 3764.538744 1904.332573 2582.906044 960.8295734 1874.296417 3110.462002 537.9575083 626.1145932 1037.07898 401.2641356 297.8480167 69.44391096 610.1575478 573.8635866 476.3327679 2452.959565 2348.992253 2484.629924 1677.209277 2157.396443 1687.345199 3357.716795 1387.384993 1987.932022 996.9160085 954.947238 902.798697 958.8316213 403.3874422 158.4667559 297.7863754 478.6117675 35.09128721 239.519458 1250.560691 1230.332863 1648.267643 3895.215213 2594.543151 1152.467094 3180.542523 1097.955953 Caryoptosidic acid 2755.165225 2799.987465 1727.834798 2200.034507 1928.308029 1959.69979 3230.906596 3603.696295 1962.051337 20968.16377 79667.4972 20976.65312 16547.45565 48016.59648 12124.47206 29023.54245 12418.03883 40179.04566 5555.6222 5855.435117 6115.578823 4904.372952 5123.038252 4690.920632 5384.36226 6362.158453 3480.568134 3774.856934 17203.20751 28862.4925 8805.547785 24248.44856 7625.350824 6216.94625 6674.582424 11437.34002 4921.39085 5508.726273 4472.539134 3669.832889 4393.301037 5256.07955 2783.224582 4641.065307 7289.102131 3013.905041 3563.402363 3900.073001 4665.726144 2930.949153 9562.480338 3730.966529 13545.8201 3322.008982 N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanimidic acid 7491.358291 15691.505 8708.224621 11337.23672 3455.004753 7419.467745 10981.18682 7381.589103 9198.775244 61759.15429 51972.4675 18811.40029 65240.44156 10055.6007 14243.92432 5547.353679 3568.367221 5482.899997 3855.318527 3699.444681 1835.317874 3860.182469 1270.074954 4674.934805 684.0461498 2015.660117 1516.094394 10392.72953 27164.13091 3988.823755 6502.91576 7228.459216 19319.87277 26763.17368 4579.594815 1655.662328 6064.973845 8533.281825 6647.763545 4385.936266 3683.138272 1702.232747 2990.395383 1804.237356 2839.683785 4143.731423 6328.603682 2608.997634 2660.671688 8363.001283 9610.637089 1976.935332 31908.42216 4488.281853 Dihydrozeatin-O-glucoside 13613.6112 12624.25306 22362.09329 19235.6097 30150.82302 3036.779619 2876.780814 66966.85525 45844.08903 372.307331 485.0096266 766.1431667 674.7452845 4.07813e-08 4.07813e-08 283.2294773 467.6714804 84.11221705 44627.58379 23389.08183 44290.01193 27174.08824 4432.332619 1643.876063 5522.173514 43461.476 74749.9759 413.8236671 601.0934001 988.9014816 95.17814778 341.3252721 423.3429561 913.3234366 877.9661056 4.07813e-08 11139.30815 14425.41103 23375.74857 24542.3676 27411.63245 8913.692216 1493.52772 34910.19197 92251.71548 943.4706539 1169.060115 3709.033295 29152.43594 15101.68011 607.8604138 21792.35497 1058.646901 4247.870887 2-Methylbenzoic acid 772.997216 634.5086226 1584.371727 1285.458594 601.2238871 3491.021013 2325.748716 257.0987104 1255.394811 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 167.5532443 1341.575722 815.6966061 4.07813e-08 2976.993967 6025.014417 2644.698567 3436.447848 2567.315638 4.07813e-08 14.58373065 4.07813e-08 4.07813e-08 12.39428173 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 308.2603722 1194.249971 454.7830452 3303.117817 585.167463 1783.360759 5591.807532 4163.476323 4.07813e-08 2986.401623 1419.695245 1928.808752 4.07813e-08 1412.673542 4.07813e-08 1069.113672 4.07813e-08 2571.076196 Glycerophosphocholine 4.07813e-08 4.07813e-08 1.477556204 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6486.318553 5510.507999 2275.996304 6348.255207 1713.0316 4108.121181 1279.356695 1817.151613 4148.479459 147.969166 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 161.8640563 162.3859702 4.07813e-08 4.07813e-08 4368.185562 4585.995661 2773.667087 3514.054973 6005.518088 5139.389313 4933.589519 1879.466144 2063.05796 132.1375713 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 482.959114 157.9701864 4.07813e-08 254.4978336 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6822.586829 4.07813e-08 4110.713225 4.07813e-08 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione 1066.45856 395.4569813 689.6574117 1235.978444 1808.478755 1653.903866 1040.496428 1934.783395 1313.503455 61.92838478 4.07813e-08 4.07813e-08 336.1940261 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 251.9593578 2685.143832 2229.870802 1594.502939 1502.416885 1691.406706 2981.955383 1693.853947 2390.740513 1501.073995 91.14129254 89.4316623 77.67233818 68.17830715 4.07813e-08 70.770018 4.07813e-08 4.07813e-08 102.8848224 1578.206733 1433.683941 1075.198664 1310.615405 1655.801309 2553.624349 2497.721732 2401.32858 2161.857327 1701.757901 1818.17769 1322.332632 908.6162915 1578.426928 227.3809314 1555.209752 4.07813e-08 2158.174424 N(tele)-methylhistaminium 5804.444507 5653.805692 6655.090068 5555.734905 5744.217427 7443.34924 7994.69252 6221.49249 4451.229381 1736.699869 1880.750929 828.8357481 1570.496629 856.2060442 1085.456562 748.7903275 344.49002 542.043138 3222.281023 8591.048472 4773.584805 5808.808096 4972.738762 4287.185112 4206.146999 5859.493491 8633.412726 397.2950939 787.5313421 525.3055173 442.8430009 367.9175648 831.3410767 590.6653042 1272.394018 611.3318825 3441.074772 6973.027138 4326.035983 5874.079287 6745.909101 4023.298075 3817.334634 5927.11697 6319.222319 9394.90764 5919.64919 6949.144123 3362.443537 3246.4997 334.5882418 3559.954136 799.7263876 4895.932007 Dopamine 9520.576582 5574.152554 7854.677396 10742.57055 10418.41976 15195.47065 11592.99935 8998.181737 3993.734431 4.07813e-08 7.58088678 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6685.214101 8647.5124 6426.101015 10084.73311 8511.96394 11328.64311 8123.267463 6434.06894 5867.163669 4.07813e-08 4.07813e-08 10.8589985 4.07813e-08 8.410879807 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5824.481832 8047.615934 4979.720965 7481.127535 10360.6896 8198.089009 10998.64677 5459.758768 5790.510003 15257.9843 3402.012729 6164.069133 5515.388387 3583.828054 4.07813e-08 5954.105506 4.07813e-08 13334.18937 Paromomycin 4.07813e-08 226.173039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.119315641 76207.8857 55529.38939 99923.66921 50311.27658 78168.62155 73452.11308 40921.05254 32386.87475 123831.7173 4.07813e-08 4.07813e-08 4.07813e-08 524.1132081 214.3502048 278.9294951 4.07813e-08 4.07813e-08 4.07813e-08 8830.743306 100157.1305 100767.1959 47828.3809 148164.531 56392.87545 19486.99966 40046.5849 89765.89179 4.07813e-08 4.07813e-08 4.07813e-08 226.2877678 4.07813e-08 169.8109404 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60795.68514 4.07813e-08 150690.0465 4.07813e-08 Allyxycarb 58484.35673 45489.49576 55289.11243 60365.78226 73826.86896 149619.1634 74481.83537 56522.6611 34687.07579 548.1527759 509.6505019 494.2509753 954.4692095 366.6255304 479.1855213 4.07813e-08 4.07813e-08 745.2925576 40131.43384 60197.34991 50023.47783 95553.97396 87540.16568 74898.19573 71220.47346 67311.43902 72778.05116 4.07813e-08 759.432825 412.4150851 549.4380193 847.2774579 810.7736026 865.8342415 4.07813e-08 743.0068056 41671.34847 56203.63526 37780.54438 41276.85206 63672.86872 63425.90236 61790.99553 51086.97941 79649.23127 77576.15746 49050.15027 35371.37701 43957.3579 39903.82711 3459.736978 38816.8123 1770.376177 64573.66635 cis-3-Hexenyl pyruvate 3799.131049 6122.687224 6342.834016 7664.240288 6802.970667 5944.092941 13789.48662 2814.034143 5945.19291 278.5390373 4.07813e-08 4.07813e-08 289.9074381 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 583.6499085 10783.06112 13409.96569 10634.05864 12655.40257 22127.03029 10711.84302 14204.2891 5270.568358 6708.284605 4.07813e-08 90.47157519 228.1320786 123.8557285 545.3184424 225.0052607 4.07813e-08 4.07813e-08 446.6463845 6032.185706 12596.88794 10412.67149 6918.322238 16972.98036 19455.87031 8665.239464 5386.314109 7645.092181 11656.29146 8695.131675 13228.52013 5429.569754 4196.390084 383.0551579 10487.84258 92.96472112 4069.266177 11-beta-Hydroxyandrosterone-3-glucuronide 342.9194512 4.07813e-08 92.82299411 120.2798255 415.3423949 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.805271204 295.0773344 4.07813e-08 178.8283103 417.6609523 1.598275681 190.3878182 119695.0451 895.656318 84.12568914 4.07813e-08 4.07813e-08 4.07813e-08 371.4279896 614.5685734 4.07813e-08 281.12346 442.104921 315.0852251 2.452300032 6.226360002 1.998561916 1399.048934 1.572015163 2.385205021 46333.84733 199.1111877 4.07813e-08 4.07813e-08 4.07813e-08 158.7545879 322.644477 141.3337745 293.8346558 72.82378275 231.844032 166.5011888 4.07813e-08 92.18774806 101.854201 4.07813e-08 235.2955857 4.07813e-08 9605.615442 202.2985675 2,6-DIHYDROXY-4-METHOXYTOLUENE 11536.37435 1959.691941 4188.315519 5477.38019 3752.826136 7022.648196 3274.09503 4002.886548 4767.376577 4.07813e-08 1130.041268 99.97320586 4.07813e-08 123.401722 1255.993922 4.07813e-08 162.5717235 2470.925055 15597.1571 627.3828058 3935.305066 10937.16348 9463.549593 3968.223603 2728.393349 726.8257443 5478.275797 4.07813e-08 661.4144598 258.5358845 232.700134 1284.271782 1538.55976 72.81945409 4.07813e-08 2860.579877 8492.493158 533.002505 3504.589989 3747.684348 13045.57682 8929.055155 3021.273644 111.1498173 1130.804618 2514.303562 7688.026158 2745.486965 3638.783413 1134.845141 324.1310699 3539.403761 4.07813e-08 4505.898649 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid 271.2817429 865.9706626 2352.845653 515.7875381 542.1457328 3208.906107 2842.157558 2367.810369 7748.756907 207.3004688 221.1292891 11016.76846 4.07813e-08 8068.023646 10054.46 7407.802708 56513.69891 18644.28663 3270.306936 4801.087045 5081.328227 1888.330639 2719.641176 5088.728071 4517.458108 819.6709282 829.9418112 5053.62655 4.07813e-08 1662.369275 1945.567918 559.6330304 1781.77592 1700.912609 13038.9587 687.3832049 1564.930349 1140.95273 3633.269026 6665.096576 3436.547771 1741.093265 3120.159689 409.6538615 220.1924405 5459.568608 4719.136306 11771.3535 2984.365934 1846.784903 3450.800002 9619.948763 4.07813e-08 2286.102912 2-Amino-3-oxobutanoate 66375.62253 82064.9361 38169.29535 65589.17623 71294.89765 36092.03616 59984.69277 98256.39753 93570.28604 34301.74693 41536.69281 30164.16983 33567.64528 19408.44084 29632.57585 40672.3875 22428.5012 33575.01425 10968.76591 19082.45835 18136.50643 7242.999427 13623.99651 11875.31145 12024.22273 14387.67313 16019.70011 53486.13789 26107.19317 29002.55508 35428.23698 26760.13404 25060.0482 26627.47358 34703.02981 43065.44701 21277.63643 17253.59538 23226.41664 22686.45378 14815.24354 17843.09081 13290.48813 17529.67754 4197.906821 12551.44413 35352.05736 23010.92167 55854.99935 76639.4756 24224.29608 32393.74239 36464.50319 27001.31432 Phosphatidyl glycerol 165433.2244 170041.2647 212501.191 362844.9447 373996.7429 291950.5251 215874.9535 253148.8 193864.908 101007.1404 87928.7036 108611.7067 100701.0027 58814.07569 37770.71343 178894.9933 84890.8662 106226.2896 111878.9212 112196.641 95601.98607 88591.99856 136073.7152 131621.1251 158626.5613 125143.1097 203385.8789 138039.9114 114356.8246 224066.1399 226736.1456 199271.7403 147356.4736 87068.85047 401471.4329 189851.9699 114805.1303 142882.5135 162140.3024 204780.3465 103093.4512 166576.1544 174258.4737 126190.3597 62701.07494 172444.5133 65335.73358 144792.1659 153680.1491 207470.1315 181682.1471 220966.7764 141941.9252 245994.8406 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside 985800.2716 1316259.199 2219852.51 1634931.077 559065.6219 1778940.209 1702935.079 1484423.716 1128147.117 2145726.036 1363175.981 1513826.909 1229269.195 1650029.84 2712723.44 914401.6921 278423.4543 549269.1376 331008.1472 265386.9327 352105.1477 288646.319 107450.9592 220741.7016 258428.584 381009.263 425628.1886 899177.161 1593604.387 1268045.217 2689004.254 709994.3226 940856.4265 4364086.794 1307968.096 2491362.103 646723.6053 732884.1852 777604.7257 360571.6937 147793.3568 150435.1183 174259.5874 497115.4952 158788.7459 466221.1488 398559.6276 830851.4124 532588.6455 686120.2579 959191.9889 522200.5214 3147042.756 1056710.751 Ascorbate 2-sulfate 1221.269679 48653.76519 902.6700332 90.37881532 1139.792818 690.4080441 3248.677221 1233.3377 1112.038865 431197.2216 616208.2233 106447.6425 631701.9393 108690.572 116194.6556 104453.0429 297629.561 198143.1739 2331.953345 2294.599819 4187.622319 1329.838292 1757.366678 1674.908604 3082.895232 694.845584 654.833318 189053.8948 178431.7496 314551.7732 153121.6859 175449.8916 144858.1549 357884.6067 171833.1996 821364.4638 528.8963242 1926.80229 1024.053689 941.210284 1262.020628 1519.014656 1868.072973 431.5858588 1426.483028 2945.927579 6392.176443 1521.13293 3356.664305 30181.8364 247964.9102 1648.949576 217788.5105 21810.84274 5-azauridine 32491.17807 71210.10782 50437.39264 29928.72659 21566.71985 29136.8914 34899.9662 140610.9819 152127.6769 2065.209661 1494.916283 21759.08903 3157.15219 1448.451015 3371.048668 607.1728417 3282.525454 3724.145955 54241.27159 43582.65906 39082.78259 15071.90493 25572.64785 51124.23665 37559.64081 12798.56173 20533.92755 2874.261548 2900.301285 1214.313274 12232.17267 2635.92107 2207.242901 1968.838123 4001.692406 2724.260627 27548.0718 38461.77849 32650.84036 56580.65352 55814.20435 33940.18119 90825.14111 24364.46836 12426.05568 142749.509 72673.99244 166598.5271 103339.8113 145033.2121 3470.159136 113170.0498 13034.83242 52571.62051 Aspartyl-Serine 118.5929393 4.07813e-08 4.07813e-08 136.7850814 199.3721242 4.07813e-08 4.07813e-08 167.8262827 4.07813e-08 3368.458759 2780.468477 3091.215409 2974.443996 2915.888765 4178.163706 2652.330451 3207.542162 4676.515393 410.6874886 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 288.4304268 11.18565531 12.26857298 150.3347663 7534.406227 5210.379595 6215.314971 4661.257228 6733.402302 3943.503227 5596.529475 2524.452085 4600.42675 8.573583992 10.99646688 4.07813e-08 899.5865036 42.23347963 19.14849852 1085.467779 529.5782597 13.37614213 427.5218706 4.07813e-08 4.07813e-08 928.87214 35.23301966 6095.56729 1290.31675 4601.093291 303.1347105 Mannopine 8346.657884 26209.18609 7542.827651 15314.78631 8324.358327 6186.339507 21660.37872 23654.16809 15567.7799 141530.2731 113103.6048 217677.0946 142125.1634 139777.8323 267457.946 88304.19682 39720.71916 86426.96354 2548.200992 884.5857474 2200.647771 575.2358243 1787.314735 1007.277376 1400.307046 2663.550381 2466.024097 309980.0008 190035.2551 123087.4046 194516.3882 269153.8026 254397.8526 260938.5923 100707.3546 118320.9864 16176.79621 5750.923714 8280.719257 5759.171187 3579.774449 2408.187394 2462.609724 5072.465583 3319.057787 3467.108492 8543.376421 28115.95807 29535.58255 53341.63921 228662.2487 31055.87085 239526.2275 26834.6328 Methylglutaric acid 73.95161089 4.07813e-08 4.07813e-08 69.56313951 4.07813e-08 64.58137541 175.3744612 167.4346492 4.07813e-08 303.3539327 564.2825601 172.1709888 456.4030634 892.4866609 278.4974201 718.929715 2083.367616 4.07813e-08 297.9913852 415.0077768 76.04393648 290.0951947 801.5313175 571.6464785 290.9718296 514.6805195 197.6285448 1029.430394 4.07813e-08 3940.712497 397.0946348 1555.462738 467.6398282 424.1983979 1599.599372 4241.990395 68.04530703 295.4242974 48.9294459 383.2700292 294.2160344 915.8159296 722.2103477 228.3071915 355.3604759 280.5047683 4.07813e-08 101.6947692 100.2845064 124.2842525 1345.690675 231.361519 2971.257066 774.1445849 Blennin A 4.07813e-08 2539.418004 344.7120653 2254.541659 9979.094782 4.07813e-08 3507.688258 3631.688695 3043.070617 594.8573861 412.0433771 4.07813e-08 802.1545481 1962.284185 4.07813e-08 4.07813e-08 664.3593957 1781.138735 1176.589839 6256.995739 1762.408892 2728.64449 1292.808741 4.07813e-08 6897.834651 5487.614156 4477.304136 279.7166956 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 91.90756422 4.07813e-08 4.07813e-08 4345.304115 524.7612638 5270.31454 3373.137925 1738.31281 490.7485309 3613.672305 10734.97096 24852.55158 26755.63741 812.1957666 718.7717141 1219.452566 4617.816743 2492.382898 4.07813e-08 922.3999749 N-dodecanoyl-L-Homoserine lactone 15522.47104 23276.61765 52207.13891 75163.40305 93803.01189 63155.61876 60031.07162 1498.180447 2369.501123 2582.743459 14662.47772 45408.30378 3012.405306 45654.58298 15989.28764 27922.41828 238.3494715 1109.707934 148265.9672 146458.541 121854.2968 163660.3369 137346.8963 173319.0874 146377.6847 113828.6229 144186.4028 24737.12554 66940.29592 46368.64736 62881.43776 60383.3023 45602.8342 45957.81629 11792.92887 42439.15827 118940.7157 111097.8249 107761.3963 155287.321 183404.666 160972.6155 161675.3856 116875.0364 159785.3833 136456.0787 107766.4645 138290.1399 118749.0901 87813.76823 68191.13831 112990.2466 44268.08128 117283.7284 N-Monodesmethyl-rizatriptan 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5098.651489 4718.508019 4.07813e-08 349.6678913 4.07813e-08 703.7230635 767.9916274 9708.332965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3909.125281 4.07813e-08 4.07813e-08 347.9620009 4.07813e-08 4.07813e-08 7030.091997 524.3857325 4.07813e-08 4036.538764 1611.028603 4.07813e-08 4.07813e-08 4.07813e-08 590.4492939 4.07813e-08 4.07813e-08 Perillic acid 1243.770238 2995.723899 2302.545376 5787.004286 4.07813e-08 1894.508565 9946.951605 4.07813e-08 2044.902912 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 650.4933148 3659.057271 570.9100487 1334.933668 4.07813e-08 855.2941735 598.6206513 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1858.420381 599.3437486 4.07813e-08 1255.492357 217.8697437 305.4210022 4.07813e-08 4.07813e-08 264.0822333 2453.204186 7128.355412 4.07813e-08 468.2488256 4.07813e-08 966.0104445 4.07813e-08 4.07813e-08 2-Hydroxyethylphosphonate 52487.60097 53844.25537 53925.90415 54058.44545 53448.71403 46663.095 48940.27006 47651.10896 48755.30892 42375.44504 41185.37575 41485.72656 41432.68037 46511.94917 34089.16177 49540.26739 37023.29788 47512.48706 39607.16925 41433.0323 37068.23382 35847.40265 34252.35847 35445.47696 37161.65119 44118.28261 43107.08038 40401.12582 47359.41344 37176.34086 47603.14184 36574.02426 37012.57815 35827.85516 44578.59642 50037.06721 44173.47724 36741.06715 35817.21008 34541.0551 33075.3582 35900.20864 40151.69093 43747.56999 45281.69138 38403.7227 39461.70107 36817.47932 41811.98556 41268.66675 32539.24502 40163.22076 45288.68795 49712.39946 Asparaginyl-Methionine 36934.84505 24662.35933 25429.83231 20150.18873 17605.99423 24540.14836 28929.47093 41415.35536 40246.32691 14189.00633 12354.25196 9991.871413 15511.55336 11031.2307 14787.10226 7546.14217 17629.4468 21845.14665 56034.04034 48057.79572 45758.05347 43109.5797 45724.31068 33374.88472 42305.96399 34163.76501 43812.34108 18082.09052 15180.38786 11861.41413 15917.4601 20596.26413 12859.84079 22573.49392 8413.520974 10924.03432 36323.95898 36249.43736 35382.43352 42331.03394 49701.82423 48224.26136 32435.38887 31447.0813 56885.94094 32147.91224 25438.04031 39259.17119 34018.92327 26858.54928 24473.45945 36823.73669 13736.03616 38012.91143 Proclavaminic acid 2064.642168 5824.591784 885.8911708 1682.414572 318.1476106 1174.123614 3255.359432 5323.738889 11250.26409 15848.49783 8691.986425 8122.654515 17054.95539 3992.034723 9358.9099 7392.230174 9515.347449 13515.52647 64.24431147 82.15168647 616.0904954 4.07813e-08 50.48947645 0.324943035 35.22403245 98.37184247 161.4661177 15262.52764 11301.55151 6627.556226 13259.59137 8296.290652 7086.511931 14249.23387 7839.222695 8212.238853 4.07813e-08 242.2850681 657.1731801 212.2091531 76.50500585 0.156517455 4.783190209 4.07813e-08 0.003465432 101.6763891 2283.655415 684.8114284 3172.613382 6115.34345 10039.02792 1817.346361 11727.33385 898.8653089 N-Methyl-N'-nitro-N-nitrosoguanidine 1419.456948 1096.075139 955.0829853 1353.912407 1364.96372 773.046603 1212.058476 681.0978381 541.4046077 1717.109375 1774.535798 497.4956025 1886.448335 136.7521321 814.2425219 47.92802094 223.2476259 306.7365309 5398.275484 5204.436474 4245.83174 4453.686938 5395.050798 4388.806921 4589.846556 3741.829015 4839.354193 1519.837499 2265.781756 1009.158101 1209.934593 2718.067183 987.040996 2854.959186 127.6591813 738.0377123 3743.189022 3760.830989 3278.59885 3913.940733 4299.824902 5686.344032 3463.262884 3909.146979 7265.671468 3031.226279 2583.129519 2875.098092 3560.257856 3983.38795 3038.38961 3531.682434 1214.317488 3734.177591 1-Nitronaphthalene-5,6-oxide 222.931963 896.6555602 917.8893628 399.5378914 463.5161687 373.6217758 309.6513614 301.3399642 474.2320764 107.401866 226.2345099 4.07813e-08 148.7988636 35.78489961 4.07813e-08 4.07813e-08 4.07813e-08 38.47565747 814.1968791 863.8154102 1439.791612 434.4291132 380.5091714 103.1901255 379.8210349 617.4114928 315.5249534 36.21752575 4.07813e-08 4.07813e-08 55.52877926 4.07813e-08 58.2315478 30.34959783 26.70774001 47.08406373 442.7790377 562.409973 634.1761479 409.9192706 459.127047 567.1293245 35.62257222 448.5535486 675.9793221 2449.668298 675.2891196 525.5459225 920.2508831 1673.929667 4.07813e-08 425.414437 4.07813e-08 449.4413878 2-Carboxy-5,7-dimethyl-4-octanolide 18.29816605 295.491509 4.07813e-08 269.3765832 289.6681789 347.7169849 233.5734937 89.76175755 879.2201994 247.8195056 384.7437259 273.8133864 455.9149684 341.5027754 35.55092295 4.07813e-08 4.07813e-08 4.07813e-08 291.8728543 641.3459036 1022.130477 861.0389493 1535.160291 3563.054447 1995.51527 332.7814158 71.94144643 101.2947576 4.07813e-08 4.07813e-08 4.07813e-08 12.14768899 453.9426545 4.07813e-08 4.07813e-08 4.07813e-08 239.1589327 278.770433 741.7721255 2251.799721 606.1091782 1042.084419 3279.234979 357.0886805 875.6341937 3477.428088 1727.798125 548.7677468 550.307537 1339.246976 302.9820972 88.90721117 526.2467155 311.1269682 Flucytosine 238.5493093 36.4906325 238.3365143 154.1241868 156.7725155 201.7494326 158.4127206 4.07813e-08 178.4832179 41.48544194 35.43562827 69.40508574 9.670059018 4.07813e-08 129.8286362 4.07813e-08 4.07813e-08 55.83098919 589.1482987 767.4658546 514.6629089 405.4351727 540.5410948 681.7462514 426.9875178 1523.72262 1319.851644 106.9040704 126.2537882 4.07813e-08 4.07813e-08 74.88637686 82.55296915 4.07813e-08 44.00409751 45.87037097 414.9201411 435.9639846 495.4307687 516.7027793 610.0613183 430.0259401 759.8608265 1217.027699 707.8868928 597.0257013 365.1433249 417.3493997 487.073232 252.2995592 78.02971995 299.8633587 41.68706529 704.3825513 Ricinine 1192.278394 3418.425544 573.2306093 1429.873296 888.7950097 485.3730706 3065.080795 2158.603473 1121.080522 486.0826516 1006.480006 123.3421024 314.5056562 281.7263053 1683.364428 339.1738469 2215.612954 37.91831644 1645.278122 2069.794358 1763.937759 2572.41782 2257.304683 1938.229251 1864.456417 2231.390204 1911.60877 1081.869329 338.8431867 147.2456615 83.48294455 670.4947466 609.5068027 299.0897182 1154.390736 230.1133771 4776.162982 1475.458723 1820.068284 1722.689689 1989.95311 2191.513655 1188.402374 2225.941355 2559.290403 981.8965181 694.317094 1767.718861 1966.090134 2884.772755 317.2778085 1003.293815 239.3090971 691.8573167 5'-Deoxy-5-fluorocytidine 804.5078553 2296.629216 29.2961217 270.6148686 29.0072655 30.34383201 387.5293746 44.04748571 174.6090695 2664.490988 2279.696468 5621.823014 2024.993831 68.33879128 3966.756788 2181.453645 27151.26582 1.856422892 36.43594543 48.15265168 41.61258318 45.43665845 44.49492942 46.06780067 33.33036203 3.718170677 14.46571896 3086.069331 2524.154173 11469.86942 991.2103661 786.9903364 4391.749025 5070.978103 10950.79024 2.756556543 714.0373908 28.94135702 11.48693796 28.04300571 65.74383929 34.34771329 19.94558509 4.529507653 58.9830994 31.97184592 16.71709957 83.45444642 417.4805407 11.79296347 8303.049701 97.0054736 6259.920501 30.33488173 1-Hydroxytacrine glucuronide 208.5840796 98.06942186 794.0925154 298.3859564 125.3977297 6934.14881 7718.545165 665.1339131 2536.266801 110488.5689 90666.55071 71346.66944 107138.6814 87912.66084 90920.14559 76889.8556 138052.8752 13794.00663 353.2060795 694.7361389 213.6198918 414.2968227 458.480856 277.8092905 160.8722844 4.07813e-08 163.9127049 93144.19692 57198.79773 108797.9774 60623.91257 130744.9715 91868.91309 69494.01638 63534.36654 84918.54185 146.5213412 351.1286859 4.07813e-08 91.49744053 75.69541523 271.7549119 406.5958884 88.61257498 267.8518042 352.7555927 2555.605789 2704.152323 17539.84527 1193.164596 382369.8152 8959.113997 170060.4404 25961.76498 3-Methyladenine 5586.370484 3987.778709 6060.208014 4697.187738 6084.108564 6629.586868 5372.239015 8018.979659 5944.823354 598.3096801 517.3487967 548.2288103 380.3702481 507.8936039 561.5524912 74.48924374 98.1385491 1452.576421 10245.68902 9566.934161 15450.20773 9755.704245 11132.54919 10483.13879 9972.887746 11054.99693 10912.08429 651.4046236 797.8651457 222.2510338 771.6009193 686.4056016 597.8868534 1117.694211 619.3524439 1015.480416 7487.987366 7359.522157 7391.685934 10136.64502 9365.928994 10186.86508 10778.32832 11241.01734 12283.72041 8864.817965 6383.301919 7224.629909 6275.212024 6325.907199 1261.504044 6231.377549 257.3942911 8690.29592 Gabaculine 28.9709678 219.7892103 4.07813e-08 251.0211639 4.07813e-08 4.07813e-08 383.7399877 941.4847606 1743.520844 3063.50882 2802.857127 4585.299408 3202.615501 3458.032019 2173.22569 2929.039939 2151.521797 2924.263082 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.448473979 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3016.771872 3541.443488 3761.736527 2538.94923 3776.626106 3527.280269 1485.564729 2496.841185 3642.123894 142.8586582 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 236.0859557 91.14897249 60.94064894 127.4643661 76.83897276 4.07813e-08 3.513920886 366.2874596 211.286591 3566.721425 4.07813e-08 2664.30669 385.78128 Methyl DL-Leucate 7374.575349 3623.001556 6104.752411 9553.855772 6525.856464 2196.205947 1930.838988 4989.306946 3015.862044 2704.622856 3727.64868 2304.010037 2533.795538 6762.945675 196.8338014 4635.040704 1729.762222 1418.720865 5970.090342 3336.444331 3935.487054 4926.098663 3795.045463 1671.613863 2556.412403 1763.921589 2806.991206 1644.582393 1675.736127 4682.235805 687.1361553 3370.080537 1112.512291 1594.574843 1994.579931 3130.572896 4845.653619 3422.94042 3819.257347 3799.369805 5151.504922 5139.369481 1466.333918 1633.255468 3129.2216 973.011609 2508.200907 3896.511019 3126.149536 3141.778756 637.3290059 4283.146383 1538.221213 2842.230385 o-Toluenesulfamide 963.84076 2488.59511 1085.46461 527.3777422 4.07813e-08 4.07813e-08 799.0986401 41.39467838 4.07813e-08 610.9542402 4.07813e-08 4.07813e-08 947.3746624 788.3911178 2882.812196 4.07813e-08 1799.285807 2784.623678 290.9364832 4.07813e-08 571.6358273 1581.681955 44.13206074 4.07813e-08 498.8437469 878.4728583 391.6681492 4442.587229 1653.388566 3958.165368 3925.320519 5119.626372 6471.227884 9038.039232 4779.942769 4419.303791 12144.54293 358.3317988 1699.578775 198.5212785 296.3229165 4.07813e-08 4.07813e-08 781.9868218 4.07813e-08 4.07813e-08 42.68210621 272.670941 3446.872822 3197.702521 6067.689171 668.044987 920.5036229 4.07813e-08 SR 12813 1171.276473 4.07813e-08 1982.187144 662.491645 3359.580724 4.07813e-08 90.31222733 377.3025612 17203.36328 163.5624894 1657.458153 173.3443708 4.07813e-08 202.1389473 4.07813e-08 0.461298104 180.3817527 37100.70819 3455.983499 1563.649429 0.614426341 491.5663985 4.40971414 3407.00807 486.8220607 603.3402224 9760.134006 146.3273434 4.07813e-08 202.7161055 9.544844981 4.07813e-08 323.0406054 385.2296546 309.6387236 194.0886627 3203.278492 603.7413353 906.9399756 4.07813e-08 487.8054436 4.07813e-08 3624.252313 730.5417709 3816.283879 3322.46221 2170.886159 923.8705072 1401.590008 1464.310099 1988.780421 886.0422365 169.9010773 3572.467661 2-[3-hydroxy-5-(3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid 4.07813e-08 8254.87696 4.07813e-08 4.07813e-08 634.7798014 2773.668464 509.781474 1661.721831 2283.174977 11851.66478 14134.36671 18371.6286 15050.50033 38672.90181 8766.85905 8728.99649 11763.50446 35721.76054 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6313.297083 12770.93797 44245.37909 28435.40749 38218.22826 17173.60026 11889.7795 11786.00675 85256.90126 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3000.964059 4.07813e-08 5037.790874 5601.604736 29516.92594 967.9147369 15089.22248 5514.885628 CRESOPYRINE 1327.408656 5838.285595 2149.93241 5047.380371 3536.996354 2070.910141 5031.678659 12110.2848 5770.509002 1643.724281 1223.403283 3714.313334 2009.667502 3490.943902 998.8238061 2108.542328 1685.491167 2229.081042 1602.8153 776.9877886 2023.494026 8364.060731 4.07813e-08 703.7103598 3906.426895 1543.30941 1175.194415 624.3181095 1528.098859 3706.8621 770.9792969 1904.302112 2897.160879 1770.786616 2078.290381 3315.033904 9963.944641 2224.052363 2818.574336 1176.613866 2079.606191 1453.542464 724.4245075 2643.72214 7987.95415 3260.217444 1736.457444 4651.553426 6267.798596 6580.72746 2717.228006 8991.538837 1410.170054 6290.256366 Vasicinone 1079.668929 4295.135981 971.7978583 2865.339006 1744.273877 745.0520546 3607.292585 3026.790657 1031.901853 821.9816177 1535.174901 4341.077284 961.4533308 6068.180379 1378.164622 6169.022973 4.07813e-08 1762.578059 1279.855565 2029.834938 2391.172316 2210.930485 1724.937677 1086.979069 1193.683145 483.2358498 933.3262705 1111.265126 1589.763309 5842.184808 3514.371787 4571.395528 6906.405931 922.5160294 10683.0926 11085.86785 1105.283378 1006.268796 675.0998488 1457.828385 1333.111684 1938.31782 1028.20211 238.6878847 2423.358256 446.6683502 763.2824343 1689.35898 2297.779757 3065.017753 1442.853885 1871.216636 1420.55495 1985.537066 Epitestosterone sulfate 14839.99351 11204.45714 9275.582275 11560.00399 10432.02669 14452.40121 15137.89222 32445.41534 17725.73555 1253.281764 3684.550309 1684.753856 1790.851873 1812.39287 2224.150775 4.07813e-08 68.60029724 3935.782433 29664.30208 27962.88374 25632.13833 29186.86665 28213.68605 23897.47827 26538.84287 22676.19292 21918.7485 4.07813e-08 4218.267661 3559.566437 4044.037585 14737.9922 1708.868207 9752.449892 4.07813e-08 2975.332712 17866.61431 24771.56684 20600.56384 21985.9221 30672.00649 27652.95093 24074.43143 16555.32735 32627.06857 18394.45941 25155.88373 23906.73831 27875.81714 21092.41922 119021.2128 23904.13153 45988.08896 25679.73528 [3-(4-methoxyphenyl)propoxy]sulfonic acid 450.0708309 1046.10238 3806.692203 2967.932706 277.7962033 5004.311156 2804.003802 2622.148943 1557.400563 4587.994027 4.07813e-08 4.07813e-08 1183.894746 4.07813e-08 4.07813e-08 507.7214115 4.07813e-08 4.07813e-08 10175.43908 11885.9833 14235.0908 9844.498208 10985.49166 18414.1335 6379.288503 12690.09951 5687.129795 4.07813e-08 4.07813e-08 113.631683 3614.167347 4.07813e-08 120.9125267 1201.222522 4.07813e-08 1680.108798 6273.519658 3836.850251 5932.069516 3794.549439 11680.86282 3489.091543 10747.62749 7561.743327 12116.34854 4491.800809 1895.449944 7071.556564 4053.960605 1729.896973 1340.930501 5228.053143 501.6080713 3526.962803 Monomenthyl succinate 9237.918204 7823.614043 10007.13274 18210.54026 17866.80051 15328.30946 18826.37139 12777.5158 8642.471067 451.7644678 4.07813e-08 1863.473283 190.2641185 511.4531432 1255.002222 4.07813e-08 470.9167511 2594.118674 10387.36293 8621.21298 8649.461969 19696.87235 24539.89764 24504.02215 17548.56511 6917.301018 19751.71237 1732.12253 4.07813e-08 2016.372826 4.07813e-08 4.07813e-08 647.4885962 4.07813e-08 4.07813e-08 4.07813e-08 6684.220247 7853.273473 6212.783132 22733.64224 24950.5376 18549.81895 25772.80369 6475.974845 14719.45063 23629.77367 11344.39605 15611.67885 6434.650674 5278.833831 744.387342 7818.704346 214.1936923 12857.68867 2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-7-hydroxy- 5849.484269 1735.408267 1832.535841 1703.339681 4453.411802 6764.77386 2972.568162 2917.820538 3588.267293 158.4069659 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1219.793484 7352.319726 5018.672888 5650.357694 6874.539343 6506.660263 6278.449065 4567.010151 5967.183057 7808.272865 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 194.3314821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5889.949764 4264.099611 5138.725393 7317.355206 6494.815727 5906.795162 7472.039568 5863.994665 6641.795974 5651.562234 6962.38695 5475.441462 5979.442275 4937.023989 1609.518261 5460.426653 192.3094516 10443.04391 N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfoxy)cholan-24-yl]-Glycine 14981.2074 40641.38646 4.07813e-08 4.07813e-08 4.07813e-08 187.7896552 640.7809792 4010.649913 11579.16007 148810.7514 125087.9475 227775.3095 160435.8869 379047.4643 281111.8158 206921.3826 421541.6131 447111.2716 281.4693228 34.91948777 4.07813e-08 4.07813e-08 4.07813e-08 117.7341817 4.07813e-08 4.07813e-08 16.33534473 520171.3229 188078.0074 153612.0817 164752.2947 209650.052 153920.1597 157403.8521 281670.5294 186001.652 4.07813e-08 171.1567787 4.07813e-08 11.69979976 299.5009023 172.5330147 218.531643 4.07813e-08 268.6823094 4.07813e-08 21031.94994 8020.067083 28092.80487 4013.5129 229828.9826 8714.02888 60512.24764 4689.22108 2,6-Dimethoxy-4-propylphenol 6892.327679 4891.075069 4927.731028 4398.571261 3689.822245 5591.024089 8919.701261 5613.34897 6181.197581 855.5552585 4414.922296 3739.471336 2706.330293 216.8961809 1128.731394 1044.242693 5845.173663 587.8226859 14291.18481 15555.27211 11293.87833 13681.73489 14726.93923 13205.89928 13395.96254 14521.57808 14929.15667 1297.043012 961.9367531 4957.949276 4.07813e-08 1926.695584 2677.10465 3263.328341 6689.510813 109.8440815 7969.626795 12870.86022 10885.9602 11870.15874 16314.12675 14106.49875 14904.13164 13745.9989 19535.23848 11366.15641 9435.02447 10531.17797 6971.83638 7600.0496 4265.417267 9841.875547 5220.606186 10136.65955 Dihydroergotamine 1405.694191 4313.710609 4131.98878 397.3420315 4.07813e-08 10841.28233 8068.854311 3241.071855 2730.73516 42430.85131 167802.6316 184255.962 24627.21 277218.6091 188215.4518 469114.017 560917.9227 82378.91883 1096.535089 97.3765669 643.6065391 3846.755171 660.299726 889.6249105 732.9968504 4172.625476 1141.857218 610899.9838 41519.27273 58774.96632 55740.40966 71387.08646 123703.2972 60432.79053 633317.0065 53410.00163 1210.784964 221.0563492 2042.192648 665.8471075 435.9413261 974.2126596 1069.432505 3744.599082 1541.279168 801.9690742 21908.96872 4961.981924 9348.749965 1678.12244 117891.7951 4871.925894 57307.21364 11855.65624 (6beta,8betaOH)-6,8-Dihydroxy-7(11)-eremophilen-12,8-olide 6245.353356 3667.812866 7881.867968 10221.62959 11576.85577 15104.67142 13918.88818 4134.669777 5316.015174 17666.77421 20953.74298 68818.75771 11253.68837 207602.2059 77648.4651 78074.21079 842831.8607 91068.11448 20254.54729 15442.33168 14760.4798 20946.11185 19348.16384 23435.64464 19906.90492 20146.39205 15170.21579 99050.33397 21124.57737 27765.50769 59484.98926 38918.78941 7669.918173 17402.98603 151446.8337 25173.07508 21766.1754 18280.01421 18438.14221 14381.02207 19080.30876 21627.57446 21908.59033 22115.43763 13737.71853 25760.18363 28377.92096 25291.10367 23734.74908 19115.85074 27012.57266 20518.94062 17791.10789 21417.95875 Traumatin 1669.93833 3914.734185 2543.734674 1669.973381 6039.58695 3072.845068 2751.105776 3740.367175 8053.044956 4105.738545 470.9827509 19233.6607 5403.304837 38191.16768 24532.04423 7544.500218 12637.0243 44814.24952 2724.035513 4297.007104 2736.59733 2521.734677 1920.490876 2401.304066 3268.891095 1133.254688 1422.46768 5302.653065 6210.414646 2292.861465 4723.121535 4788.110342 6253.685571 4487.462655 7333.252175 6606.593289 693.8510964 2483.198946 2265.386734 4656.002183 3319.198736 1048.349579 1459.692846 746.5334695 1701.054415 6572.914221 5945.300833 2890.642678 4964.197659 2514.160712 7329.777731 3052.806349 661.4546809 3573.351058 11-dehydro-TXB3 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7204.740868 9079.780994 4.07813e-08 4125.494875 17254.03103 22210.80638 8660.764127 9822.78873 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66364.84657 4.07813e-08 26569.23939 16867.62718 81278.85498 45898.0712 55440.06943 54958.01873 17649.29136 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42879.01453 4.07813e-08 46210.40633 1986.986744 Linalyl propionate 56259.09842 78262.7497 70669.45099 89454.71563 40035.17376 66829.84494 112127.8215 23131.8187 55831.82791 13625.28246 17100.65174 11833.29307 11441.57974 8952.945918 2831.89648 11355.99789 5313.411965 7480.309139 42648.13796 82387.54969 53734.86506 44161.38588 37697.11558 81209.52309 43800.26194 10095.04381 9014.299374 2038.488926 13030.23074 7221.160326 3012.935431 6581.776661 8819.090412 3393.638381 3520.899184 4587.501917 28655.66268 98728.94732 56261.04421 31974.98987 36964.32962 38951.10727 85756.59096 10316.40601 9247.642596 40366.23532 54252.99217 99392.68121 38647.37927 25238.00616 2470.395642 68994.43681 6098.62688 20475.91641 2-C-Methyl-D-erythritol 4-phosphate 3941503.414 4059072.021 3138978.367 3924231.167 3716206.795 3147242.243 4535522.369 5039879.367 3797362.861 313283.9035 181980.4405 214701.0381 278165.9623 179024.5755 549472.0786 237078.2962 147559.7417 310632.0222 827270.516 651074.7704 876842.7455 938053.139 552662.0155 598685.3651 946694.4748 216244.9678 921016.1988 79691.75363 197049.3455 89699.9571 331762.4796 76386.48339 109647.0359 123657.8286 235096.4957 209981.9929 2468019.857 1716850.28 2342535.459 1163685.183 954850.1842 763369.6489 616429.1294 594501.8954 199036.2749 1216046.386 1095611.928 2709062.014 2520565.054 2869303.929 102130.2178 1919874.369 203884.3111 2065003.108 Sakacin P 8223.407439 8418.842106 4007.567919 5228.50028 3617.944549 4372.012379 7579.716396 8786.484358 12188.32229 53.3959093 218.6210921 983.1924052 333.2898224 437.4313132 205.3582392 944.4295442 61.06598726 497.0357976 1981.094972 1164.768024 2813.899577 1973.806197 2313.816902 2662.14047 2689.440506 2936.212518 2885.827977 951.3115281 152.8931822 4.07813e-08 1305.075087 41.63446738 367.3076383 359.689364 515.9831495 4.07813e-08 1785.240761 2374.77283 2287.078062 3507.687023 2202.094497 2007.892766 2338.712846 2604.748275 2336.543262 2129.288719 4378.753904 1390.065935 4347.511583 4407.824241 262.7772655 2715.721445 920.1267282 2436.335817 Pyrocatechol glucuronide 1946.338284 3162.861531 4355.865984 9017.639985 6618.682566 4830.183977 2795.49387 1022.895132 394.1043926 402.328696 976.1548391 3562.15993 940.8585074 3427.295505 560.7843577 2110.704095 979.8216751 230.9994567 3235.280534 3976.841499 4592.062453 4665.6092 5223.835503 3868.55234 5487.47811 3154.98435 4831.296144 2597.388354 4.07813e-08 2514.421731 256.0494298 3130.289253 2750.781541 887.8470351 2114.584891 902.2036242 3604.245269 2250.595701 3653.375044 4317.691814 2643.605363 6012.759991 3732.380904 5679.990727 4486.123063 4082.02458 3122.758605 1626.63866 2846.516286 2274.786424 550.9754182 1905.931494 1448.525823 3901.486748 Ethosuximide M5 8428.388321 15498.85219 3927.585592 10316.68709 3740.512088 4413.633885 12945.60215 14804.79685 13894.78549 6614.142365 6666.132745 13505.3163 5152.888901 2178.165329 10073.58362 8638.699925 1917.228655 3883.106147 815.1523408 2144.034068 2675.951564 353.7124744 1184.546334 943.7846612 1438.106719 1030.134447 1087.062278 20194.79195 6181.544419 1966.008319 8023.798793 1150.128843 3871.569453 7520.459961 14159.56863 5768.357842 2125.905179 3102.619663 3132.384308 2796.633347 553.2174855 1186.600661 828.7016669 795.9215645 277.4589883 906.8745393 5172.142258 2193.639047 7129.364493 12443.71275 2825.333403 4406.562029 8680.519537 2919.658261 Neobignonoside 87521.22683 80819.67349 111508.4196 108789.8594 124889.7497 175532.4678 92887.53545 109520.8987 180749.684 170245.7069 186562.2132 169203.4611 191589.6666 225862.7364 146395.7538 239929.1683 164155.4847 187867.7712 127892.2203 175455.0637 145705.0325 121979.654 124634.9917 182458.8236 158790.2813 154073.5011 80569.80044 140108.9906 216121.3743 202297.4758 222090.5512 167401.6253 161842.4901 155587.288 150970.8817 225754.0615 101827.9692 81245.30125 93509.05384 110498.2783 122935.7149 99510.43487 179503.6581 133333.2395 92873.05861 234301.4303 202502.959 154272.8326 114634.6672 65588.93226 168406.3 127992.7104 223995.0741 116641.5971 4-Methyl-5-hexanolide 4050.851425 4744.688007 6138.698336 6318.236199 5278.697339 7257.801206 4688.683589 4689.06117 7195.64816 7903.572627 5891.262739 6894.156127 8073.753688 7956.385115 6878.897484 9542.744197 6361.631158 9657.476964 7633.38365 6809.144361 4234.91885 5646.413671 3377.817625 6312.170966 5461.561065 8332.952338 4258.699176 5267.621728 8521.475035 6801.204729 8384.60764 8540.02682 7038.433905 6297.740684 5579.388208 8792.828741 3977.250615 6003.88125 4576.285807 4041.63631 4112.174382 3335.189092 7046.369609 6877.745477 3975.587405 7300.542619 7094.440676 6689.717625 4220.365002 3186.345808 6450.389422 5405.267443 9309.511155 7474.522028 Iminoglycine 838.5641403 1008.928783 1186.748416 1248.076069 1866.594638 1229.399217 1234.286844 1399.061874 1463.76063 1085.84224 989.0091411 1047.215549 929.8444785 1371.189027 1002.415498 1683.010379 765.3756008 1171.529223 1157.289283 1180.355795 1069.660229 904.8416236 1006.532044 1095.712604 1189.312796 816.4714061 868.3631034 1309.322697 1260.178501 1161.263947 1034.630956 779.945803 1024.420576 1162.342432 1144.070002 1135.244163 1058.87345 964.1619704 1169.398196 812.9047994 949.9453655 1257.247209 1158.274348 1030.147959 765.8737307 978.2836119 1066.902916 1392.732903 1123.48727 902.789997 602.4467882 1006.564084 1475.573847 1420.288851 2,3,4-Trihydroxybenzylhydrazide 945.5393417 4009.943374 482.4566637 234.8837437 4.07813e-08 83.16886292 628.5600101 1261.652413 4696.989253 7147.455849 5874.524853 4091.317334 7657.124841 3927.763299 4237.300412 1879.00193 2399.487251 6419.621831 66.36211193 67.99521771 3637.729465 4.07813e-08 4.07813e-08 4.07813e-08 68.68367247 5460.157535 514.9411485 4640.946835 5634.27833 3460.327817 4006.588993 6675.728527 4727.180031 6305.482138 1301.218426 3554.00891 4883.423836 293.8277418 4127.491795 181.4887107 4.07813e-08 0.405606576 4.07813e-08 4588.987531 111.0084097 10.04497896 66.29066941 543.2899174 1456.234479 5281.098347 6700.528595 948.5772761 5123.148702 207.2023971 3'-Glucosyl-2',4',6'-trihydroxyacetophenone 4.07813e-08 151.9168533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.45896981 17863.4988 16746.74167 9967.440518 17182.69643 11297.68033 8895.598653 4754.41699 7000.921913 2808.526013 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8883.229759 12987.58694 6281.546492 5306.605706 7149.046619 11268.89525 18502.70137 5777.058655 5761.863551 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 338.510477 6788.357065 4.07813e-08 12870.69834 4.07813e-08 3-Carbamoyl-2-phenylpropionaldehyde 4.07813e-08 467.3569465 46.36757781 269.3903611 183.3161875 47.78778841 196.04623 183.740385 4.07813e-08 878.0670641 321.9469286 440.5491901 1027.139627 41.233763 497.6199847 162.7722124 34.52637673 773.9658985 103.0642247 204.182566 2724.016739 614.5390944 359.8947906 64.56794184 903.1292389 197.8158873 118.0549881 817.3617528 858.1152786 87.52142589 435.7457492 1020.930217 542.3836187 979.5025824 283.4277344 236.6686156 3543.972004 119.0941574 246.1679208 162.800921 4.07813e-08 778.2724432 187.1723909 130.7857372 174.6060238 4.07813e-08 39.10558094 32.03909979 169.3434971 986.8836448 1009.724122 114.8206968 1208.623613 78.29063762 2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}acetic acid 1997.04478 2156.116045 3437.614909 5631.708748 5913.98089 4156.335239 3645.64107 1190.407107 1225.224357 902.1295832 935.106643 2395.028789 662.4905627 2361.912796 1219.082497 1395.596382 104.6792742 393.7395714 3466.981756 3564.338687 3628.118378 4596.889798 5552.307723 3772.573008 3430.715167 3623.671399 3850.793805 1348.633679 672.1831031 2391.763906 1053.520362 1963.506081 1736.315143 1733.009933 682.2728957 1124.183162 2196.71441 3473.769461 3196.66723 3635.860992 3479.896883 5276.25474 3008.603764 3520.455146 4608.618933 3924.87298 3191.404658 3123.473429 2879.354328 2777.508218 1093.069385 2929.73836 814.7470426 3277.142551 5-Carboxy-2'-deoxyuridine 395.9806173 486.5930413 66.75196942 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 220.8088601 1350.957096 1042.251762 515.8559602 1510.344351 1384.743612 974.316337 2277.288711 1516.047997 2217.53484 4297.865221 8.305292437 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8.291647111 4.07813e-08 4.07813e-08 4.07813e-08 4567.656261 1705.309414 1934.225659 3640.462026 2003.259435 2906.846147 2685.132498 2093.702673 1753.6919 1276.251054 11.09972614 4.07813e-08 9.95562516 4.07813e-08 26.89612934 17.77819355 62.8448108 27.86027315 4.07813e-08 117.1753922 162.8259649 110.562999 332.4732449 920.1212918 434.0124683 2414.341385 4.07813e-08 2-Isopropylmalic acid 16.54465322 39.2476599 4.07813e-08 8.867022553 25.28400818 4.07813e-08 4.07813e-08 64.55432355 4.07813e-08 5351.751142 3878.505219 3530.419585 4653.542629 3913.374027 4176.595033 1832.351166 3864.127602 7357.926466 172.472007 133.7033725 66.16999887 38.37555573 35.63224333 101.4361718 75.98220863 173.683892 90.86880603 4987.59033 4516.048955 1703.715486 3033.084413 5408.695356 2989.303318 6221.243775 1403.632614 2213.354541 29.17655014 4.07813e-08 25.4884511 32.41589413 41.60999129 74.88567775 34.65528498 153.5215251 11.45168086 4.07813e-08 37.33095067 87.30344635 148.978994 99.15009854 7971.733575 64.20592178 5116.278433 32.93605508 Cordycepin 4.07813e-08 1073.86629 7.456315397 178.1259773 15.7601972 4.07813e-08 210.587845 349.6366354 146.098529 5473.378134 1276.465356 2580.239911 5992.468059 2114.627863 6667.168257 377.1918122 2405.278025 3949.81029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7385.110261 5918.921811 2201.437946 4623.038662 3741.490795 3240.395752 6573.958852 2722.348999 3111.485474 946.9349682 4.07813e-08 4.07813e-08 4.07813e-08 30.64543613 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8.573886493 4.07813e-08 224.7009246 957.6287027 6961.991602 114.0148753 3968.715195 17.06106629 4-Amino-2,6-dinitrotoluene 1196.91601 1692.473424 396.2723194 855.3505913 366.8698373 390.5158912 627.7247576 316.8043617 549.3568128 849.0156451 2661.761967 321.4593554 944.4360602 94.13012482 278.6980836 5930.614446 6027.554703 4.07813e-08 30.54653441 4.07813e-08 221.1641923 133.8732835 4.07813e-08 60.12563549 4.07813e-08 61.9930016 96.99503978 2769.49067 174.9528117 6262.578442 4.07813e-08 3520.3242 2397.524703 261.0332106 4815.154697 2211.752222 948.0942573 4.07813e-08 109.3149416 92.3914849 166.5820079 85.04072157 4.07813e-08 4.07813e-08 64.64000657 205.4190822 63.06961443 194.1360047 633.1934727 1218.47445 364.0107192 491.877357 1464.868218 596.5712999 1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid 187.5277989 172.7327738 87.70443481 81.50292713 124.2258858 175.9407153 182.8114242 193.7540694 104.7220419 3096.066581 2409.524733 2378.186181 3295.025142 1620.383724 1541.344343 1157.874206 694.4226504 1866.620606 415.3618891 597.7404385 425.6430552 346.2307061 664.2493661 243.6417576 386.2810191 327.2379826 531.6306863 1836.686224 1418.700247 1824.906509 1023.042468 2679.031707 2256.253109 2966.88995 901.9376315 1869.216313 205.8345025 241.953678 206.0580614 275.9408575 337.7234639 581.9238022 356.5812528 594.0179517 737.2368324 256.9759608 275.1058518 390.4486198 409.6035786 481.6834715 1992.664364 345.2481249 2088.626327 381.9309904 ACECLIDINE 1851.890931 1883.54616 2379.764317 2179.261392 2956.289196 2123.247926 4420.684265 3161.498898 2357.239566 861.4524247 1361.910219 1368.012686 1171.710942 1720.794697 728.9729385 1142.313038 1042.271893 1358.138029 2638.660561 5734.75577 1922.093453 2413.703863 7464.759529 9371.486863 5478.982133 2283.568462 4014.195414 451.9512805 995.337829 2734.045887 1163.81715 1659.073245 906.9886712 1126.510479 1362.150152 3874.853773 2869.112592 3592.253961 1507.557397 2963.346591 2844.285653 4709.084663 9321.942992 2599.378434 4391.528125 5474.393046 4124.486812 1978.096803 1684.254041 1512.077971 725.3502677 2518.376858 873.9938819 4705.2827 Dicaffeoylputrescine 2419.285613 1026.721711 1129.39768 1614.948218 1967.356251 1529.099859 2860.769815 5700.608674 4755.657704 306.1897463 751.5712922 619.3317342 520.3284639 179.9156138 952.3256251 167.3228932 264.3850335 1542.947964 1446.458961 3458.890225 9359.464741 4094.435433 8886.717222 2243.055732 4184.158638 707.7651582 4440.664249 401.835442 356.4403217 436.2860508 248.2191221 832.8783909 968.6694809 1048.987426 207.8853798 245.4331131 233.4058902 1611.331772 1283.964073 8763.917021 5176.076008 4598.328375 2805.296971 1136.902871 3186.265374 1027.24809 432.3252032 1268.052223 1443.368213 3557.376072 207.3996175 2081.570467 210.1376619 950.7844044 Sultopride 368.4166779 150.7895084 323.1988921 217.820089 140.1639187 158.2288832 205.3763924 265.2116978 13.84929365 3892.458536 3772.393959 8874.989134 3732.852305 8521.644695 3314.987655 4800.383937 11221.67524 8760.290994 730.3249965 886.8917042 708.5485665 398.8248779 393.5001463 602.7343407 530.4809368 919.2307406 837.7984379 7465.334375 7839.80273 11805.49612 12446.42084 8572.118621 10568.79913 10389.33349 16199.22042 12139.54266 961.7068178 529.6785136 411.7758563 427.7692401 376.6101936 912.0887754 165.4792328 909.6802767 1234.987657 531.3222437 206.4601594 129.7562849 688.6265411 584.5050624 7015.046668 309.6775104 6648.961776 254.0956182 (R)-(Homo)2-citrate 1840.441282 1516.794436 1715.170203 1498.149 1670.251377 2053.866406 2204.785801 2515.144903 1891.778139 855.0112433 812.5256637 1047.584786 494.2691114 1843.118486 615.2557851 1760.644994 983.200004 1592.588366 705.7500387 1290.851889 984.9922199 1773.671338 1815.368714 1472.33429 1891.360289 1603.815659 1502.598686 480.3587025 869.3232276 1582.32078 1696.368049 963.0173621 1594.198975 767.3255344 1043.615347 1902.748125 1320.51781 1858.228371 1684.243906 1315.59977 1489.325877 1270.288721 1231.371369 1253.253678 1425.900278 1850.388292 1926.041205 1531.293143 1409.633735 1067.459569 355.5997347 1435.399263 1089.229777 1755.499438 Metharbital 201.5406373 475.9218444 4.07813e-08 11.42632269 124.2331515 170.1380741 242.266364 302.0443781 405.334592 2811.462749 6089.405899 202.8355483 1479.936188 605.0383496 3661.427481 2866.783355 2143.957637 826.6634293 1183.70394 1319.136816 1261.41625 1050.408131 1081.596166 1757.001034 1103.500969 772.7229825 1484.820376 2510.524616 1001.729624 2498.010726 528.7095869 631.0355187 914.6907027 2925.07611 1372.31294 415.5701952 481.322507 903.1346738 674.5208227 1094.342364 904.3502839 1084.719718 1538.134055 1164.968435 1413.368069 1044.35486 559.9831389 400.869202 459.9729152 654.9823649 1791.49622 199.3595106 2139.238258 861.1275576 N-Carbamoyl-2-amino-2-(4-hydroxyphenyl)acetic acid 272.2105111 287.5901252 2.025317914 279.384061 85.27816554 447.6911296 499.8105252 394.0832476 141.8638399 2344.831307 503.6602572 494.9703351 2759.315449 318.1100723 906.9783593 4.07813e-08 3384.792604 1435.446473 6.968910045 1.783481039 9.714642522 458.9987943 227.8736317 4.07813e-08 4.07813e-08 1.482093437 3.147776364 481.7115605 2282.222101 357.925676 2306.724195 1365.586531 2427.164287 6434.77458 1252.117584 2138.581469 521.8913467 294.8890633 3.044572882 19.33850571 158.8655424 301.4486946 101.179187 11.74946379 6.503156563 519.3892277 149.8223313 569.7182867 294.096735 319.7972048 5463.183902 510.6801123 1430.679868 228.0829444 ANTHRAQUINONE 192.4891079 4.07813e-08 134.4920777 87.85445168 131.5641539 84.46375068 83.40429525 7.132075629 31.642021 4.07813e-08 1567.856701 323.1105591 4.07813e-08 452.5981277 189.4684689 1253.824648 4054.062911 373.4972103 282.5901546 287.0235065 139.4880832 4.07813e-08 88.66392592 69.33281826 70.71544287 72.16650058 191.1173668 5021.760045 479.0331842 1440.347853 382.4556601 3846.799971 2982.19094 310.5679561 4116.060225 96.1793098 33.60815288 175.0262742 146.8537834 138.3943352 203.2130688 186.9258899 158.4960908 48.56838583 72.25728754 208.451242 190.1334334 265.5399629 109.5772587 4.07813e-08 306.2057257 144.6666504 273.884346 83.33378193 N-Ethylmaleimide 518.3464963 2151.196824 150.8926287 384.4672966 17.07462334 184.9799311 102.4108354 542.0023123 444.0903283 3983.385288 4959.144422 6019.640656 3951.060614 3550.992067 3176.388226 4851.445047 8451.36817 9271.608855 1.929963205 2.72104352 7.15125391 7.690604533 0.831468045 0.609056083 0.164900748 11.68394013 0.163313745 4587.947665 7524.0928 10336.00568 7425.610503 14304.66706 3188.708937 6862.57297 5088.872424 7164.576366 2707.630151 0.941594429 4.07813e-08 1.309552293 2.585587698 41.95801021 3.267891425 0.001620824 9.103778906 17.71714824 495.5922773 299.9795904 1202.210363 1981.299327 9618.704618 1096.530397 8666.202999 984.2060864 2,3,6-Trihydroxypyridine 1437.281693 1355.68241 1252.424156 1788.054657 1202.606509 662.0316375 1256.574361 2115.995077 1514.079782 34.33973458 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1553.304266 2091.939518 2101.233272 2596.455337 2213.624788 2219.54574 2622.423723 1382.547416 2326.00421 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18.83357964 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1981.41955 1655.449186 1757.610285 2532.667746 2538.122871 2453.331654 2156.753192 1435.644618 1532.40151 1170.025941 326.7280709 1711.737826 1844.218242 1748.382394 4.07813e-08 1816.483975 4.07813e-08 1741.753676 Caffeoyl aspartic acid 120.8464464 174.8341468 89.22515909 372.9585772 8.508223086 1.748374228 304.92106 0.86895565 4.07813e-08 258.3906032 73.04385714 4.07813e-08 73.2852916 4.07813e-08 201.5957933 0.275209175 4.07813e-08 172.8580528 850.7493696 477.7542819 1115.681118 795.4425834 1141.478121 717.377182 791.3525593 449.2187164 895.3039632 215.7118139 373.0406988 0.022569986 203.3478795 318.4682643 1.104795226 770.9273279 4.07813e-08 0.235482818 521.3254661 550.5564009 571.7977739 517.1691742 562.8269177 796.7654617 352.4550244 699.9129095 661.8475245 50.67487324 192.194406 356.2553838 501.9878634 337.8742739 386.5084457 334.876291 202.5239936 295.0226303 Homofureanol 10583.63936 10356.69911 11086.10166 10530.6868 13584.33794 12124.97047 11931.88779 9047.377435 9885.039387 2680.654339 2419.418087 2060.114364 2477.942163 1909.23349 2260.808169 712.2067658 709.6887433 4812.927211 21192.71442 20565.98183 24416.47774 21895.56445 25843.08039 23017.65094 21155.77266 17957.04193 21303.0625 2237.660557 2373.542929 2568.127567 2097.495941 3760.322708 3023.064342 1856.11379 1024.257764 3635.840122 13510.71843 17171.12645 17951.71741 18495.44568 24056.76212 25366.28606 21922.07671 19182.64365 26418.77464 22878.91052 15894.60748 17176.67204 16023.71548 16476.70019 4573.316102 17095.66499 1995.33026 15327.61296 N-Hydroxyl-tryptamine 7750.731299 5586.323557 6677.105513 5945.366949 6474.283673 6207.702159 7175.918908 5992.313587 6200.699072 2032.77417 1025.101051 1877.692723 2206.609361 1264.397191 1136.153296 4.07813e-08 336.9914226 2164.143512 10491.68256 10177.54925 10229.05622 10207.84913 12139.45878 11279.8741 9882.608566 13763.76333 13875.59242 1660.818679 1826.679916 1087.372339 1309.807294 2647.879529 2458.932382 798.6645813 737.7387489 1471.029663 8824.279028 9793.085549 7300.871435 12751.20935 11622.6289 12053.93046 11447.67869 12965.19614 16872.57333 9768.853331 9310.959749 8819.722238 6564.497857 6636.127276 2642.761846 7470.711122 1508.405955 8321.010218 Vanilpyruvic acid 4224.229378 2421.056683 5251.83875 4969.682985 9032.286464 5243.515961 5181.420913 4684.126559 3678.242328 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 410.3581793 4.07813e-08 9851.441394 10990.15907 10735.20395 9120.433524 12042.85791 13631.64521 10919.50479 10922.21445 9049.091385 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3696.642854 8081.081215 7093.051517 9403.087269 10001.41037 10231.34742 11449.65575 9965.78306 11249.87669 5047.003975 6346.288182 5667.934749 5241.392226 3417.478258 4.07813e-08 6941.311605 4.07813e-08 7655.337515 L-Homophenylalanine 3364.1564 10160.90619 5976.055674 7615.022739 19168.47874 5195.113694 9641.07715 680.3610204 944.3941063 233.0691464 4686.200675 2991.620993 233.0991406 2602.84149 3952.608964 3662.813456 43.52039565 53.60438217 2829.026523 2608.813635 2827.549749 1979.662772 3219.177581 2567.343915 2947.986738 2469.210232 2940.952323 29.25638645 336.1770491 1570.97998 63.51651125 260.7822384 2245.153908 273.2134157 890.4267653 919.3353131 1492.490586 2470.759013 1664.198142 2591.876694 3230.50259 3914.359902 2034.049141 2222.026623 2188.232801 1780.496926 1365.415687 1884.86007 1348.089913 1255.004955 116.2438212 1926.88465 67.80977803 2250.524369 Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate 3266.118898 2786.418538 4000.64208 4850.518796 4457.874209 3722.864589 3918.574949 3107.085436 2543.092779 1332.996739 1088.328901 544.5922044 1478.648478 819.5139785 1142.34242 489.5083161 389.3374021 1402.43804 6859.735902 6590.079492 6545.267389 6395.012737 8524.666224 6770.774666 5615.006822 6442.745408 6000.880294 933.8853548 1334.228452 676.5155194 508.6886794 1265.375516 676.3212074 818.1263557 361.3854294 919.8107951 4262.705886 5212.906332 4968.294672 5745.659641 5529.595308 7903.457104 5926.061087 5363.867522 6712.113679 5108.062318 4621.299525 4848.384023 4368.801299 4545.289039 1907.146144 5189.896767 2170.8345 5411.932362 Citbrasine 1711.192643 1187.339441 3785.977257 3962.540846 4907.844877 4499.967282 2553.260114 2170.635112 3911.341096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5551.743661 7606.597622 16714.98514 3213.467497 5645.040214 5236.192421 3641.854126 6408.089871 5675.006327 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3376.041279 2440.665327 3251.887119 3446.680569 9016.907285 5608.234948 4738.900893 5357.01744 8737.489374 2240.468738 2021.053236 1970.729423 2141.082412 1345.53878 4.07813e-08 1981.743553 4.07813e-08 2112.18881 6-Acetyl-1,2,3,4-tetrahydropyridine 5615.933116 3382.025586 7672.062381 6954.657083 10945.35522 5973.505418 3078.757368 4505.390744 11226.46974 1625.47311 1793.8953 11957.44228 2206.589013 11494.77646 9999.117138 2214.891633 5949.632243 21197.43461 8238.828817 6345.683944 9800.263114 12507.52068 9257.156404 6272.631406 4311.524382 16221.27045 7367.222901 11118.14601 6599.14381 5900.021147 2034.402209 2115.579287 6182.955085 5676.839676 1136.71972 6655.496724 12111.35024 7627.875909 8077.348558 19290.49747 13965.81581 9939.479401 6159.059734 13405.35636 6422.769725 6593.633059 21671.6452 20568.10554 16473.57233 9653.314903 1824.463022 8861.533053 532.9909464 8675.656311 Achyranthoside C 4.07813e-08 10059.84851 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6361.97339 7185.864856 1053.002708 96798.87622 49762.02175 5122.681251 93755.2742 1115.034495 113587.8275 4.07813e-08 9335.013719 139607.2076 4.07813e-08 4.07813e-08 3626.082846 4.07813e-08 4.07813e-08 4.07813e-08 505.9127014 4.07813e-08 4.07813e-08 96408.02829 120163.8362 526.1145365 102996.1729 137421.5143 40412.14831 89357.01408 17875.73476 8874.513836 2029.649008 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 462.3934192 12007.6593 4741.849296 148944.8862 5215.576128 105001.3055 7001.538679 (-)-9,10-dihydrojasmonic acid 1045.758152 2821.447913 1849.323344 419.6489413 4.07813e-08 1226.279616 188.752982 5719.925206 7825.345817 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 612.9785503 227.2310453 4.07813e-08 9927.200042 378.4146217 7387.285408 2977.247084 2903.920822 2319.887097 462.3155177 143.7893787 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 815.076402 4.07813e-08 241.1110607 998.666275 4.07813e-08 161.9339967 1721.091924 4.07813e-08 4320.380229 922.6240655 4813.612449 2261.29875 841.6039232 1812.263139 4.07813e-08 4.07813e-08 4.07813e-08 14434.28496 27143.77139 6272.574586 7218.880563 1675.004219 832.2045122 7355.40841 4.07813e-08 175.2294227 Ammonium lactate 2628.813142 1796.592105 2373.199591 1677.508147 2694.075928 1516.972904 1916.379943 3055.126641 2660.312092 584.6060496 136.2534137 4.07813e-08 441.8693275 593.9380099 611.0167375 4.07813e-08 222.405347 689.5193331 4154.180321 2313.936676 3810.468547 4079.867784 4795.312462 2975.3535 2328.351503 4.07813e-08 2042.79457 657.1035083 580.9414091 372.6860797 763.3090592 350.7488955 632.6344093 792.2635898 307.7508067 653.407477 2339.887857 2920.908402 5091.143438 3001.017009 4131.990788 2680.375822 2842.185909 4.07813e-08 281.6159595 2956.945392 2135.042588 2797.610395 3637.026861 2546.115669 688.6019845 2991.020152 358.0180836 1994.131025 SB 203580 15624.19217 4243.526755 3343.855912 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43711.22736 1730.498537 24136.47351 218607.5652 10396.82977 84522.48142 34403.36591 4.07813e-08 4.07813e-08 1283.342778 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55332.66987 63129.34323 4.07813e-08 104485.6289 16267.58218 3240.540369 221268.2597 106909.9121 50996.02488 26804.46853 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2589.64319 5436.149494 10859.01569 22022.21298 46912.21433 4.07813e-08 15506.18319 5216.386717 S-Carboxymethyl-L-cysteine 34336.51389 315055.8326 34471.9239 27441.12683 14203.13582 17207.37302 26338.50338 17696.99964 16972.91799 208178.6084 224366.1658 55936.29264 286453.425 36270.12446 56895.9629 32410.62478 80393.22598 53721.26745 20802.72274 20171.83557 16359.00389 13680.52971 17246.75534 18480.69153 22244.0031 19384.93586 18182.65194 50024.57171 59337.12308 115748.7563 61495.08261 48345.07476 49577.74202 123423.2766 51089.12921 41342.29611 48508.07128 15680.36471 9848.688567 15888.80158 14667.74798 18485.21748 18827.66613 17822.87451 24312.40352 26978.59281 17553.88629 15102.07965 22447.56769 88081.96047 85576.93777 20811.02726 106816.6608 23861.27288 N4-Acetylcytidine 544.5910707 604.1084677 1147.060716 4.07813e-08 265.2889106 485.9432316 129.782001 472.9604121 908.0369401 288.0803085 216.8272684 556.1041266 4.07813e-08 257.7902363 4.07813e-08 4.07813e-08 4.07813e-08 356.0333658 1596.805632 300.7653743 539.4414371 678.8489535 1256.70787 884.5177649 1430.467592 1939.173719 1545.636973 308.2346742 4.07813e-08 4.07813e-08 260.8360611 564.6754801 379.0423087 121.4510398 4.07813e-08 4.07813e-08 1262.660757 280.6336159 822.902118 636.0239472 675.3122951 1080.761558 1351.236123 2529.372716 1632.356202 1545.718892 1322.660466 1073.704949 694.4724612 835.7934549 654.0968544 1480.109172 563.7172332 4.07813e-08 Barbiturate 3416.5109 1960.463833 4277.068822 2793.109527 3555.903251 3353.982968 3475.808419 5924.343363 5837.452664 4.07813e-08 4.07813e-08 136.1261635 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 112.4518567 3176.089073 1554.360056 1891.313531 1451.208464 2987.841185 3147.877404 2482.216544 1048.451536 3940.441759 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50.93324537 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1552.275348 2372.840975 3055.964459 2880.207714 2993.543793 2698.413306 4058.736358 1816.718734 1380.514555 6646.102593 2572.648575 3087.335495 2501.003747 2391.779676 66.64260121 3891.162008 4.07813e-08 4438.780164 2-Keto-3-deoxyoctonate (KDO) 38933.27574 46575.49657 45172.81473 69937.18918 63333.878 45810.46389 49751.75251 66426.34523 42463.9322 96783.37246 145231.0109 103035.3824 111493.4646 85218.15476 68361.92723 74231.26614 189157.593 109699.2645 55363.00543 67678.36607 77555.02336 54421.226 121172.8192 65342.66446 65468.58442 69649.73542 68448.3078 118108.01 113012.3677 116425.8674 52845.4966 134664.7099 68113.61987 40954.46728 131471.1678 81464.42747 54697.85437 54231.73269 56357.88752 64317.0939 66501.51855 79447.84437 62970.20353 75992.96063 73592.8255 44697.7037 42233.74576 48720.39984 56148.81246 60987.581 48035.19274 54500.33206 152599.2401 60695.5035 N-Acetyl-L-Histidine 3232.026934 6262.928386 1173.5841 1364.126132 860.6089958 925.6312731 2693.251112 2379.269743 1907.346845 13767.88172 11873.87402 7628.623426 15712.13598 8714.468962 10393.72663 6451.327528 8372.081844 12908.63798 2234.057642 1953.871401 1847.620698 1684.54277 2001.924821 1202.622534 1325.196116 3719.137979 1754.007155 10045.5117 11682.3989 8606.661315 11127.80738 11705.66786 8706.851275 11329.77031 5726.967072 10158.37046 7643.944535 1244.889391 1387.71922 782.039066 1122.14867 1129.534774 931.0534173 2518.20163 2595.945631 1341.697038 869.8123867 2225.518788 2296.316277 4632.158406 11269.83193 2958.688411 13491.23171 2359.145496 DL-Propargylglycine 2486.306987 1877.402915 1980.04428 1466.329441 1657.407443 2047.564412 2005.508538 2864.171219 2601.793723 728.488773 531.856613 401.4023293 817.8117523 101.7331947 344.5957564 4.07813e-08 274.1561894 797.3195614 3598.817731 3597.081845 3617.079877 3187.119128 3580.649472 4109.546565 3111.639424 5220.8011 5401.721458 700.7984238 472.2992635 184.7789419 226.3047284 719.0179743 535.5093024 872.2977603 144.5766054 147.0008026 1792.956095 2843.799943 2719.224793 3543.978556 3706.644188 3341.843052 3877.218346 5265.018014 6423.941326 2357.050136 1750.849863 2388.941317 2332.260013 2232.750611 843.7144591 2069.117453 419.7706064 2402.712416 D-Glyceraldehyde 3-phosphate 50066.04686 49696.65764 48441.38322 48645.67491 49748.819 47202.15031 47436.21896 48615.19506 47912.00264 38732.70381 37574.61422 36677.79869 38459.65195 41928.22554 34587.68034 46177.35092 35576.0962 45890.02804 34775.82148 36430.99353 32456.72543 39690.83157 38482.17913 37308.31587 37220.41634 42941.42404 40103.52155 33447.36758 39649.87525 37722.71226 46244.45117 35630.63016 37966.51335 34739.23162 39712.3998 46783.87578 41748.28335 36106.86972 38421.92432 32812.05596 35573.22839 37313.28476 41161.88566 42737.223 45128.96939 41796.23499 40976.87917 38523.29656 40889.14427 40475.0663 32125.78057 40726.12606 38964.13182 48805.2352 (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid 4262.455177 4747.981017 3458.387399 7272.375204 3208.143669 1925.867706 7930.89329 4645.374111 3992.071144 15699.71048 14627.54417 18709.26721 12696.93303 16933.64311 19413.6933 12549.75178 28382.97095 8644.128361 2586.406087 3323.72446 981.0674525 3405.897366 4.07813e-08 259.7265481 913.5496654 5036.560501 798.020418 6964.894297 8931.244756 10812.14018 8839.79835 6338.324544 10179.37434 4220.419425 23648.33315 10933.36184 4995.26122 1747.408625 1349.002598 252.4134254 3581.703689 4.07813e-08 4.07813e-08 2509.814678 2780.755021 511.6147327 2397.115261 1911.20053 1021.406949 529.1961153 6769.748959 713.0786812 4899.510953 2468.818053 Alanyl-Hydroxyproline 112.2365138 1407.044673 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 284.94614 300.3530714 928.5920306 12044.32751 10145.87614 7741.218572 12696.12781 4498.719093 9403.90512 7008.932264 7598.297807 12373.758 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10481.82579 10142.04226 8156.181932 8562.839969 8505.078537 8082.348677 11748.31606 5154.930852 8034.122029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2552.374646 12267.65255 76.42183899 8778.916332 106.4496958 2-Acetyl-5-tetrahydroxybutyl Imidazole 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 96.95357508 4.07813e-08 2040.727683 5001.736721 3440.311736 2595.759016 12281.82471 7821.739772 9725.218523 24021.8791 21693.09404 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16167.93111 10846.90096 33363.30564 10254.30289 32623.01457 5926.723811 8578.915653 7885.399863 26233.03173 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 843.6678277 495.7600777 20866.16351 266.1372335 7317.341963 182.6851051 5,6-Dihydro-5-fluorouracil 12344.13506 6824.507047 9399.686274 10917.31721 10876.03799 9548.30291 10692.36041 8496.171947 9517.665863 3948.103583 3046.440115 3906.760106 4192.523003 3876.380116 2646.707234 2229.352487 2791.321312 4582.753001 21685.81207 21907.58235 15229.27682 16828.98031 18105.32117 16463.95057 16813.56165 9412.378118 10678.41197 5243.188022 4569.920413 3567.612798 3982.989301 3396.651315 3274.304549 5565.390007 2891.489678 4741.618984 12753.87821 17444.31153 12900.02783 15069.70891 19739.82381 18917.68951 15187.81106 8337.317962 20827.39988 15561.67614 13111.82217 16124.40947 12508.13823 10528.14935 5270.984894 14933.36728 2555.574968 10799.46836 3-Hydroxy-2-Methylpyridine 227.8385674 394.272442 655.2009715 1047.682369 883.9135728 461.0510582 496.5365137 363.2908991 251.6359828 1339.285531 1224.875602 1072.324864 1415.22262 1147.146889 809.7716311 808.5886247 1144.97112 1067.415104 602.2750085 686.9501747 702.0957261 497.5761722 999.2027666 711.1197392 754.0245078 709.654459 842.169007 965.1777176 962.8056944 1468.379973 871.304387 1461.09882 919.8073336 1361.573617 649.0940559 1346.268756 579.8002893 533.6194076 562.5212121 710.3133989 599.5233268 1239.199613 706.333516 795.7970828 882.4862112 561.8049938 530.8104259 564.9743076 826.1430566 742.0166454 1255.556156 574.6396414 1279.043446 877.6733159 7-Mercaptoheptanoylthreonine 41560.99847 76817.46731 16780.43143 23554.24498 4987.101086 18466.26256 9406.787099 29.90887899 26241.59852 123883.7041 107910.8926 54168.61132 146348.9855 16561.95608 13300.01916 35945.29568 42621.05178 784.9332071 164.4508827 114.5690126 1179.881442 45.58075843 124.8845012 172.6877834 2189.592346 140.7016755 69.2215764 33988.74715 37458.07548 64300.82426 16957.65715 22453.60428 23610.81026 61630.71277 25260.73891 674.7133882 46661.94458 285.9778087 107.7743809 53.30917791 169.2798342 535.4846533 81.15813309 248.0063074 165.3124866 40.26495251 5834.284981 6297.026768 9574.547604 42308.92149 46497.17604 9259.982557 40448.63284 876.3389719 1-Cyano-2-hydroxy-3-butene 691.1270652 374.7218608 780.8212935 614.8096366 952.3844624 726.7494225 816.2539419 755.0693835 449.6988827 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1157.897156 1454.349523 524.8149189 1058.665122 1544.405177 1454.726705 1335.343031 1178.067029 1661.579471 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 635.0971205 1008.803783 507.1178586 949.1443803 1472.989474 1609.83675 1448.032267 1203.099605 1812.507419 1376.278006 925.0773322 957.9760424 513.3290867 412.1125272 4.07813e-08 749.1631663 4.07813e-08 1147.0814 2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propylamino)ethyl]- glucuronide 4.07813e-08 164.3510892 4.07813e-08 4.07813e-08 80.64697327 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4019.543163 2488.048677 3142.449725 3755.778814 1911.830865 2979.472535 1480.617309 529.938246 2119.453352 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6012.82608 3555.723066 1964.544984 3448.482524 5693.507964 2228.898099 4536.787984 2305.237166 2581.759382 510.4466746 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 369.8180647 2446.619933 4.07813e-08 3140.763628 4.07813e-08 Cytarabine 871.6710099 2690.640415 4.07813e-08 204.4784621 4.07813e-08 4.07813e-08 4.07813e-08 21.12487751 214.0133892 2079.24717 2029.747171 6604.238182 2138.862705 245.8804409 3140.216076 1985.14144 18670.03577 4.07813e-08 10.45059863 25.98658465 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2434.639208 1668.127801 11761.87397 746.1311374 480.2605578 5508.621745 3572.596402 8864.979483 4.07813e-08 429.6884213 4.07813e-08 32.6795089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27.27505397 4.07813e-08 4.07813e-08 526.0621818 452.8310065 4.07813e-08 9417.427516 165.342908 6905.136431 4.07813e-08 3-Amino-L-Tyrosine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.4121534 4.07813e-08 19.93152479 0.176923434 85.88801014 1269.745646 1301.800346 803.0179042 677.1062787 1958.491361 1560.701419 1743.214371 7659.265303 143.3528159 649.0230781 360.3607887 334.893495 4.07813e-08 410.3372656 519.9129094 296.8762216 273.3649019 464.1900103 3988.913705 175.9881431 4101.471974 241.796573 3317.777347 1241.047311 1912.482674 2420.278722 6542.836408 4.07813e-08 9.873452024 10.08369688 659.0053567 225.1614823 354.409542 651.0851187 873.5186275 388.8540737 212.0944328 4.07813e-08 9.155772913 177.4129009 216.7971429 3290.273968 139.0868331 5049.079929 584.2064145 N-Benzoyl-D-arginine-4-nitroanilide 786.1669399 1595.261182 247.7617621 559.171249 324.6784452 568.5754147 1085.954464 856.1928184 1857.310617 11432.41787 13345.44575 12653.4197 12271.43545 15459.52332 5059.570946 10185.60823 9593.398338 5603.45917 239.9037208 665.1189094 552.66503 179.613398 548.8066427 124.1727287 541.4450399 1328.113433 583.8832693 4785.861525 8126.290111 14470.07595 4361.041209 14214.49239 13764.97707 3024.243119 5573.475744 9935.308707 1358.691725 352.1219935 411.6410373 591.5292441 230.0258426 345.0152407 144.5812569 1028.585955 976.1314818 801.439558 666.6601664 449.7003603 1114.81752 1080.253505 7171.184498 370.4312806 11981.829 529.1274312 butabarbital 1777.357483 6414.703621 100.3526043 491.2720444 44.10953996 246.6342781 2853.047898 2686.108102 732.0954537 9225.73284 8286.322869 5692.695838 10260.9105 8323.808161 7667.800676 4398.02593 23900.1179 16756.46625 314.0653254 145.4033743 345.2107112 252.1150329 482.4488561 611.8879208 261.5375297 475.1470575 146.694876 11548.81928 11896.73375 18034.49526 9736.901854 22568.05067 7995.372929 11428.46251 6155.895199 16474.42915 1784.080901 162.8391331 548.4737527 145.0074368 98.52066264 409.0747196 247.7921661 930.6424525 444.1411435 4.07813e-08 535.1477561 2825.358136 3072.435998 3701.368089 19505.12426 3028.302811 11119.19603 1624.453993 4-Aminobenzoyl-(beta)-alanine 659.0959101 9905.44267 1137.032347 2587.426204 903.8453951 1155.185941 6544.416522 5310.894565 2881.951446 118773.5581 106932.6108 142646.0226 117130.3887 117190.0847 103265.2541 104641.6493 71638.89887 91207.45798 1705.772744 953.9732989 1345.18005 607.256827 1646.17251 533.7812753 1113.394262 1389.898999 1763.030226 140827.7709 119363.2161 115053.5088 85244.73328 146399.1453 148753.2585 192581.7819 84780.17222 121431.9095 632.1064034 833.0522553 542.4342924 844.8194321 739.5480447 1409.054269 737.3672697 765.3066805 2345.886875 387.0825235 1875.310264 1378.929894 5284.288405 15077.12292 178291.3595 5198.137722 166606.8968 10770.99391 (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 1089.511292 2289.745956 554.8129009 1271.460565 584.5718066 1529.817786 3056.936519 2172.234029 2807.05998 15668.67599 15906.82515 15452.8177 14309.24528 9588.85445 10913.71681 13472.57621 2635.096307 3775.702206 302.6360546 84.89994502 991.6289194 4.07813e-08 14.95910105 235.3393948 310.102037 275.1844152 482.8771396 3860.157742 13038.23228 13056.90115 8296.655705 5176.728926 10046.593 26743.7886 7747.54124 4808.967566 80.41178956 438.8505239 386.7377845 437.5051554 171.6852483 4.07813e-08 291.1645205 172.2351778 30.97042952 114.7195569 558.2669793 433.2360379 454.2633467 1486.147761 4622.707318 368.1069909 12877.79213 934.3216626 3H-1,2,4-Triazol-3-one, 5-ethyl-2,4-dihydro-2-(3-hydroxypropyl)-4-(2-phenoxyethyl)- 1505.343128 6609.834243 911.9644714 758.1901516 1325.332131 1449.907914 890.0306477 2939.724387 3601.904597 15513.9437 12900.12242 10168.81136 15445.06314 13465.3419 7656.493941 6478.373154 9979.022351 10309.00871 1561.98247 1040.492879 2004.801685 765.0096723 1246.07871 646.9435673 785.6955662 1491.065628 1954.132005 5187.339762 12931.5506 10400.53407 6936.937466 17749.66745 12823.53877 5612.666257 5338.737216 8050.056087 2025.283902 784.0398319 1162.122991 2057.549131 1633.146477 1861.799622 199.3398403 1530.069112 1662.919634 469.5676056 375.8961071 969.0205529 1429.356536 4202.886138 11289.88995 1863.520174 14204.38565 1956.715069 Miraxanthin-II 2945.730755 1085.050554 1019.241109 938.1111684 812.6168337 1033.005841 957.7392208 1557.719199 1134.958699 11.04969013 5.141689667 8.267258656 223.9190118 5.194191685 5.066719417 18.01147608 1.458858921 84.05511317 2635.048662 3997.470877 1784.196257 760.0844707 1386.770185 2028.669197 3241.623754 1266.251736 2504.770917 7.432633155 15.39708128 7.125916957 12.59990045 4.468983731 11.22872986 2.771227663 3.587688783 33.34125713 1517.198911 1383.374613 880.0676128 3055.78987 1679.903816 1044.003171 1866.14188 1658.623968 2286.292488 1463.470838 832.7072931 1470.677183 1478.198022 1066.782791 5.204787938 1432.45681 185.7169609 2215.703879 FENDILINE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13243.06196 6447.196874 6196.229562 10786.53525 11110.35256 13515.22036 7775.944227 50585.11762 9762.826729 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8845.48766 16658.08354 2520.268936 10177.58736 11452.11723 6787.090254 9931.925731 14371.80846 13177.68505 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3612.730464 4.07813e-08 1062.972219 4.07813e-08 Ethyl 2-hydroxyisovalerate 1518.872499 1188.946918 797.57486 785.1870896 700.6290863 626.2550081 814.7023329 798.1724362 924.7643842 501.7984764 184.1946882 107.1251297 441.3851674 4.07813e-08 257.6456996 4.07813e-08 77.9510746 4.07813e-08 2081.892604 1990.297452 1709.366864 979.1449481 1988.042322 1094.748309 1205.030099 1274.903758 1626.509594 149.8612162 223.4754225 4.07813e-08 231.9591572 317.4325956 184.2682615 275.5276618 72.5157155 99.26399654 1035.290332 1397.334837 1093.443968 1797.304865 1541.650198 1617.424989 1478.069718 1475.702571 1843.192499 1110.794994 1115.649739 1513.254531 869.0009413 815.2231587 171.733142 1072.730565 382.145413 1540.21986 2-Nonenoic acid 6041.94925 2699.354599 1907.642541 3619.979821 4158.24635 1490.467145 1253.552301 3364.574967 2640.993772 2477.243722 2677.8686 885.1649496 2773.991394 2647.01097 2393.969164 1072.843987 852.0908015 1131.289817 8356.51247 5966.138612 5772.417559 6855.9363 7484.52468 1635.772133 6816.674052 5321.748481 5339.474151 1366.425421 3136.899753 2136.471248 2771.8458 2409.033337 2038.906006 1792.361403 1212.474534 2276.806354 4771.501004 4052.683591 5303.532845 5536.854037 5386.497911 8038.913993 1418.058373 5841.459672 1321.784067 2117.462589 1920.119506 3793.20598 4523.53057 3782.60356 2860.871552 5162.16046 2184.428143 1777.420102 Methyl (R)-3-methyl-2-oxopentanoate 4657.301697 2899.223774 3264.188041 4699.826782 5293.683394 4559.030179 4091.523329 2940.934227 3557.716233 498.7307621 192.9458588 130.8840359 257.6711119 4.07813e-08 517.567666 4.07813e-08 4.07813e-08 4.07813e-08 5728.260772 5561.720537 5133.372071 4559.825739 6856.504161 6223.010263 5599.940998 3451.661359 5270.00845 4.07813e-08 300.3166034 99.72569938 4.07813e-08 244.4030199 189.0686789 154.163474 172.6770079 231.7630575 3809.851023 4855.121956 3570.327257 4257.831247 5009.266376 6564.841196 4578.280592 3879.678276 6764.602599 4441.291411 3798.230686 3985.110959 3404.134716 3431.576191 235.0304222 3524.858514 588.6236984 4837.744482 Pyridoxal 1059.49593 663.5045539 451.4869202 605.325912 773.4295676 1162.725187 826.5054343 1399.772638 1304.703905 304.8976299 88.42567408 4.07813e-08 338.6118486 4.07813e-08 4.07813e-08 4.07813e-08 150.0716953 4.07813e-08 2158.821701 1866.331162 1944.413395 1964.525058 2313.406148 2085.987814 1791.238018 2174.351562 2456.198787 112.8250202 4.07813e-08 4.07813e-08 4.07813e-08 110.1567601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1153.435148 1699.802572 1392.98942 1789.784773 1929.400058 2129.416452 2027.558245 1869.191286 3631.881434 1576.226207 1387.775331 1444.055018 1066.647569 777.3174502 192.2348519 967.172922 4.07813e-08 1590.051439 Lentiginosine 11.49524557 175.1781775 73.39272101 683.2373548 2568.607453 244.7630658 4874.158169 1.027015632 0.445792932 4.07813e-08 4.07813e-08 0.662809763 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 326.1679992 10035.94677 2.874398389 1028.935573 15566.25628 21950.748 10357.89461 1218.949311 7776.588902 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2721.60091 5521.810318 265.3379072 1850.242038 2177.128465 5564.191819 20936.51186 1266.604633 4470.275779 7552.808805 6066.538366 1594.466398 284.6305283 9.490863763 4.07813e-08 805.9019039 4.07813e-08 13581.89779 BOX B 4.07813e-08 3.017150933 11.99465457 4.07813e-08 4.07813e-08 0.114203242 4.07813e-08 3.99316516 9.664813735 2.720259101 5877.674296 1.90860912 4.07813e-08 4.07813e-08 2.059650215 986.6094413 4.07813e-08 2.235397679 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16731.52797 18.76730618 1551.39085 2.479344661 5402.766559 11399.42069 17.70829585 23519.45752 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.909667831 44.0681939 4.07813e-08 15.40098599 4.07813e-08 16a-Hydroxyestrone 1141.905513 1224.970121 4.07813e-08 26.13145667 68.50229923 4.07813e-08 4.07813e-08 4.07813e-08 226.9307374 12607.29813 7940.409171 46981.81551 13459.14531 64758.14083 37247.58321 25967.20673 6672.287241 3107.21577 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37.00449313 4.07813e-08 2847.836328 8352.190538 4.07813e-08 4223.654971 7094.534461 8444.058464 12579.37771 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 169.3269629 4.07813e-08 923.537112 4.07813e-08 24301.54985 4.07813e-08 7754.788009 4.07813e-08 Benzeneacetonitrile, 4-hydroxy-3-methoxy-a-[3-(methylamino)propyl]-a-(1-methylethyl)- 3503.921269 1185.646562 835.9808965 1851.571623 2367.667568 3680.735988 4447.229635 4097.690766 2666.599964 4.07813e-08 4.07813e-08 254.0863441 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 321.5373494 8997.471213 5189.887829 6491.757502 11681.36665 11089.70279 9299.702004 6850.535435 8581.017977 8658.844194 4.07813e-08 4.07813e-08 4.07813e-08 264.6504614 346.3721908 4.07813e-08 207.861835 183.959978 4.07813e-08 8309.54891 4568.273015 4987.901027 9354.701285 9418.816713 7784.199666 10463.29572 7909.398154 9068.443779 8015.571957 6406.14995 6811.159976 7841.229396 6590.73731 2368.292507 7712.042616 233.213777 9801.553671 Hippeastrine 7576.910748 4189.647172 12495.51551 16804.84509 12519.97246 32843.46917 13406.4772 12637.31171 36730.73055 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12874.23878 11652.31393 34016.89372 12929.32534 23050.76895 18663.28771 11915.77288 12509.35216 11319.01166 4.07813e-08 4.07813e-08 4.869756439 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.509911185 16845.17771 5629.630658 9888.013273 8820.824759 23464.97215 9745.923826 14419.81637 10301.05318 12679.43911 5649.807846 8752.280838 8172.284185 6086.122096 9134.537968 97.94313082 8345.583102 4.07813e-08 7995.733706 Gamma-glutamyl-Histidine 4.07813e-08 4.07813e-08 183.3748199 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 961.6005574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1690.508589 2496.17749 220.7654187 805.5212026 4.07813e-08 2606.105619 230.6731338 483.0945827 4.07813e-08 153.5025389 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 188.6133887 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1702.740462 4.07813e-08 1100.569942 4.07813e-08 322.5686754 1465.782195 6350.924628 4.07813e-08 4.07813e-08 4.07813e-08 2525.069451 4.07813e-08 4.07813e-08 4.07813e-08 PA(17:2(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 11683.69829 12582.65166 11043.3535 12765.82721 9859.323361 10639.62929 4106.096045 14978.11616 8599.452184 156.0107039 4.07813e-08 77.70973419 4.07813e-08 51.85269686 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12542.01505 9018.691836 15889.40091 6829.552876 13687.4938 10983.73582 11297.66825 16970.97002 13109.58681 4.07813e-08 4.07813e-08 61.64376032 72.59369926 4.07813e-08 4.165442976 4.07813e-08 4.07813e-08 4.07813e-08 940.3542318 324.0423644 311.5071051 175.459603 4.07813e-08 13978.91222 134.9361625 9303.818349 4.07813e-08 PI(18:0/16:0) 6489.930139 51377.85513 4.07813e-08 4.07813e-08 4.07813e-08 2967.346719 4.07813e-08 15828.06723 16334.72682 287806.2904 34995.03056 2056852.042 316189.4851 3144919.613 2679701.569 1032710.8 3663612.312 2897911.889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 758415.4513 669636.0107 57112.94149 777597.3555 207020.0149 115746.4927 675675.2976 1727980.573 207604.8237 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 153349.6211 17797.79167 202542.3495 29513.16115 559951.6226 24829.77151 92082.93119 45373.36967 Fructoselysine 1499.353244 8809.047623 3731.193791 3261.991263 2943.769369 3904.341167 5644.084883 7615.097416 5720.445787 249252.0181 190926.0796 175699.0827 237552.8106 148077.6167 245745.2681 125074.4475 116535.4549 131342.4236 9567.886226 6497.002299 10324.97039 8814.652047 4808.529799 4181.337844 6166.718042 12383.93749 5260.058627 360351.4678 241730.6856 151055.7694 238040.6214 297966.9053 182741.7065 323575.5958 120770.6137 165954.9633 11782.39015 6379.568558 7419.584388 9217.114164 10172.01054 4856.366586 4217.424281 10924.65749 4183.541869 4688.489142 4239.815342 10594.02591 10142.84752 11373.25774 250857.465 10740.36487 262387.8503 18496.35795 Propanoyl phosphate 16518.04268 13218.30557 3109.421883 1857.986124 52525.5783 2881.727542 2436.186059 20550.38444 7797.037821 3072.298704 1968.867376 1162.984936 4985.296171 4350.476718 15862.0455 5188.756585 16759.95257 2559.831936 3394.923978 14407.96843 13276.80177 21249.87014 34977.54001 2074.470539 8943.812328 13409.3293 7771.777874 776.4790493 4306.881902 4.07813e-08 9757.613215 5628.82265 5334.470817 4.07813e-08 15863.73241 2429.614105 14940.89809 2197.34894 7082.531795 16248.69046 25748.52101 44858.21979 3703.163824 14609.48672 23063.07937 2436.08693 2557.073804 8583.254713 17082.45336 27766.74678 2263.412753 8527.396808 921.8017806 16389.01095 2-Keto-3-deoxy-D-gluconic acid 32934.36858 67956.8277 35518.96806 47062.72356 40487.29191 36903.21309 50551.79716 37235.72442 42828.60555 126169.6435 137642.0403 116978.9205 150687.4159 106571.3791 59344.48654 75043.41784 56223.04235 119405.4354 18808.527 14725.02355 22926.65028 21900.39402 29667.53544 13171.03973 21051.27561 27820.77183 19004.53059 74598.04665 111961.7337 110165.6492 76210.49458 128575.6561 97590.79812 71659.48812 48207.53108 106746.8656 27120.43413 26582.96187 24086.4148 25733.06808 20227.21929 24420.60092 14854.42718 30271.5143 20507.98318 16880.02902 25397.58868 23968.63568 34832.09902 49984.40842 106341.8028 30652.40019 125101.3093 42992.39295 Lanthionine ketimine 26940.70421 12998.93102 19431.6327 4948.511485 18602.67641 6086.84683 22536.86432 17125.05992 19868.30599 5870.939888 4675.536896 4211.836114 6595.96013 4235.49576 4068.960684 3675.63186 4357.476899 5686.619583 12897.98184 49351.12081 41290.95915 33063.1209 48418.12709 23052.47763 36301.07597 5845.659704 45207.32468 6595.607517 4914.864413 6820.96593 5175.229394 3605.508501 5607.789753 8319.568695 3618.31757 8004.840312 9456.905881 34968.49882 28450.88837 43101.63589 40667.23123 41845.07722 23274.12937 5768.78943 39092.62289 20856.5054 26818.85346 22447.50415 22006.33203 20472.45698 5830.512011 29764.02312 4719.170242 31000.98877 Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)- 20116.59014 13678.23217 24128.79216 23248.94358 24548.43827 20064.5521 17332.0693 21477.75137 22979.03732 17391.93355 17870.88844 12739.05497 17510.85433 11682.71184 13276.7921 9662.973081 9453.743211 17484.37386 36542.4525 25777.70859 22937.56233 19923.8769 32871.48772 34490.47183 31027.44411 21056.20443 28525.96166 13879.85211 14889.01515 14987.26795 15051.12139 14249.6733 12541.94076 16943.6556 8059.26694 14938.16072 18544.01118 24566.52567 21594.09261 31357.78742 28147.61563 26410.94681 38087.40235 20970.70298 16539.08286 36267.16661 20223.85563 22932.99164 22408.73888 19483.39416 17218.34921 24925.4608 15900.07363 21427.50753 DL-Glycerol 1-phosphate 4.07813e-08 33.61378109 71.00664987 4.07813e-08 259.9279152 46.47059501 4.07813e-08 70.50705972 44.17283909 1488.940801 1278.456226 815.567363 1953.395358 339.0655198 295.3605507 2019.507903 906.9831602 307.2698905 544.7325075 105.2996388 4.07813e-08 141.5267266 4.07813e-08 4.07813e-08 4.07813e-08 381.3989498 39.80263134 2325.675915 1957.981091 985.2954733 2210.012528 789.9556453 3023.86199 594.8549621 2263.855198 1135.436499 131.0215371 11.23975953 79.80497215 165.2916521 4.07813e-08 4.07813e-08 4.07813e-08 769.3796554 29.18663407 4.07813e-08 45.1496178 4.07813e-08 40.44034861 225.4389313 1279.072021 39.44270144 1205.94936 73.89267045 Foscarnet 279.9947956 879.2064575 101.0572326 487.1122937 927.3709517 56.83211459 733.6413664 87.7672433 287.7991189 2034.573424 1566.986368 1471.855423 1916.267821 1246.220085 818.7769892 2594.968873 1408.409405 364.0294077 53.18938549 39.83768313 48.77000567 62.62189027 160.6275796 4.07813e-08 261.7464886 1089.313951 77.99805652 1731.366473 2215.08107 1751.689224 2516.20293 1369.913586 2486.146314 1104.24191 2374.336576 1692.847542 600.394601 102.4895817 107.6709923 388.8714127 34.52265143 285.5446662 124.6635146 1453.338314 718.87376 612.7138723 4.07813e-08 164.9559199 441.0312728 954.4437034 1146.990023 392.65745 1777.555266 182.7720358 Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer 1668.205939 2595.589558 1748.501754 2427.874509 878.4449532 1719.71452 1380.957783 3489.331861 1592.421092 1615.726346 800.9360251 861.4022865 2556.860509 1140.590728 1311.921624 1358.936859 654.8415045 1467.823224 1002.343917 684.5389935 467.3399078 1704.768341 1475.804617 807.7866237 1372.908316 948.4532661 623.7283435 3908.244018 1371.593487 1553.922515 2100.290662 2691.541359 2468.765313 2157.135835 1550.706652 2826.408773 2770.187954 679.3145797 1621.358991 1569.471513 1457.289309 2005.276953 656.2508235 459.7521237 1378.166999 1463.834732 1629.893909 1915.338686 2565.425743 4283.229281 2101.212291 1128.688819 2876.424148 2753.373491 Etoxazole 965.5252272 1136.369665 1481.517202 1839.383786 869.2631676 821.1423498 2384.557986 1120.254372 1483.911628 3576.782288 2160.043211 1963.953228 4688.579644 1236.565194 2327.463277 1463.629124 1402.165333 1781.341499 3100.835716 2172.557503 1768.084736 2214.472107 2445.969782 8701.116427 1108.636658 1809.713713 2485.735963 2546.293541 2166.184005 1185.690535 2484.255868 1419.974641 1276.975389 1007.934426 1407.210091 2138.358703 1113.303425 1030.454308 1172.675109 2280.078921 1174.704931 3348.781808 9615.954995 1925.875591 3188.156198 3440.390237 1154.495714 1034.50265 1302.275165 1141.23446 2317.02962 1854.110999 2617.771703 1655.231428 4-Imidazolone-5-acetate 1683.365792 767.1403607 5329.800065 10311.12501 872.7208295 6515.710956 2844.904844 1146.471708 3810.480763 1372.555455 1343.519226 1169.710861 1417.052862 1150.996725 1271.20937 603.3922708 430.0362091 780.3417482 4142.35709 2316.35119 3381.139448 1525.93689 21856.79686 17024.85097 9693.257494 181.938213 837.277662 1079.036079 1620.057328 1002.930292 1248.786882 1278.845844 1245.531257 1659.345604 827.010627 887.2145034 1238.771759 6857.013757 5197.905968 72989.68296 3085.132325 9078.749073 45021.27662 154.6420524 444.5291677 2788.986521 364.3139458 2126.622795 670.2630942 3410.458906 1577.87216 3914.047496 2216.064622 398.6944954 Cyanuric acid 4.07813e-08 2102.842715 65.50870438 251.8304354 295.5460335 122.3025499 397.200635 37.22816396 4.07813e-08 1853.499168 1771.277739 632.8586759 3050.591831 2603.166247 397.0963413 507.8318772 5745.380204 415.2778175 858.3965998 753.587711 402.3055341 182.3517602 260.6131493 530.2033882 104.3947292 441.1277301 450.866426 2035.913553 4422.741401 35211.1665 33232.14114 6984.728879 35656.66389 7945.726421 1913.829313 16823.59367 4.07813e-08 4.07813e-08 218.4693308 260.5826638 4.07813e-08 1155.279781 579.2831085 1264.346732 4.07813e-08 1792.426322 1463.371968 752.6677309 1216.977829 1971.149163 4750.594739 4048.80516 1222.239102 1210.126119 PC(2:0/2:0) 4.07813e-08 27.46076634 65.12415628 27.42578578 139.9535447 229.0498889 92.28205226 212.0454988 41.25967483 58898.93418 51923.54265 13293.56906 59229.85905 34213.04343 31573.86682 28167.34935 10892.04968 37386.78412 4.07813e-08 80.39753419 17.03470706 4.07813e-08 264.8258518 96.04928401 99.98584967 258.9911018 4.07813e-08 34406.73142 39899.92075 37070.27478 13723.34904 18550.00728 28644.62769 55941.24008 8826.559022 22291.78847 4.07813e-08 186.581446 17.09288379 237.9557932 171.1104353 144.3105731 94.50521692 58.11192696 4.07813e-08 4.07813e-08 23.47667801 4.07813e-08 4.07813e-08 4.07813e-08 37524.60276 57.29913022 46166.01498 101.9585574 2-nonene-4,6,8-triynal 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.986687523 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 293.5074352 235.8132661 438.6182291 343.6947403 778.3344303 135.2928401 867.9798962 2142.526281 96.32947792 4.07813e-08 4.07813e-08 452.9092236 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.873562788 4.07813e-08 1110.032661 1318.702239 1464.091517 708.0559753 1201.245773 526.6285305 613.1124398 766.1896898 2825.803324 4.07813e-08 39.82851823 39.86004019 4.07813e-08 4.07813e-08 1.958836342 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 631.6244152 4.07813e-08 367.1493128 2.709446425 Kainic acid 246.741893 233.4812815 333.609431 386.4438745 306.2129648 232.7629844 203.2805848 66.04258654 128.0286967 1507.656282 3034.455347 1714.832299 1507.45171 1238.057503 4.07813e-08 2857.03966 375.2222071 1901.688327 879.8793105 1185.123869 593.6975549 564.0058378 958.0191948 925.7623369 831.1288211 922.4515765 1061.704608 4.07813e-08 774.3298356 1523.835252 544.471855 807.391746 4.07813e-08 438.3988043 138.6379933 509.4459653 450.6438896 1008.611645 565.9200614 948.0720541 640.3601642 609.9438051 1062.540356 822.7083669 1045.027366 723.4864092 898.867298 443.5494992 256.5997007 527.1528587 410.1032429 431.4047472 776.5987595 691.9392951 gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 3700.614568 2233.37485 2499.96834 2934.69769 2175.997318 2352.733945 2474.705551 2110.158518 2267.921021 20234.0277 14647.27283 8615.078789 21247.90809 6404.559363 10785.94672 7855.129316 7883.313978 16177.36535 3995.122069 5987.604841 2729.146998 2453.973522 4675.676482 5048.393731 4876.212388 2004.766533 2388.852678 12853.35794 12350.09203 9052.078255 6988.125916 12380.62826 6708.025383 11369.21215 4924.668349 11590.51617 3181.935935 4896.05974 3047.075098 6557.491834 3685.017481 5553.252524 4957.722836 1715.267314 4944.364303 1793.149858 3195.903592 3546.371378 3103.053693 2947.551213 11609.10151 3656.305567 10031.2162 1795.105876 cis-Ethyl 4-heptenoate 58242.49971 72940.75005 89824.16912 95159.74025 99179.85068 72758.12898 59599.10107 52447.76313 51993.35164 44868.69989 40291.72137 44260.88814 41063.77947 47867.86902 50410.18716 76670.17031 42787.18998 27210.24526 49467.48222 48992.40896 59973.7171 60599.21446 54524.36376 50675.10533 37643.16929 70079.997 39344.10767 21000.64056 25871.40928 40901.50283 33704.87483 24901.50925 36490.17296 32896.21615 53971.67532 38344.23132 49388.50781 53213.22464 50348.97002 43178.43783 56170.53185 48416.38659 50818.65865 55138.96199 69486.84834 25877.73505 31632.10061 38316.033 36140.73574 38555.52521 20322.34873 38801.12143 34458.83528 46246.55864 (1R,2R)-3-oxo-2-pentyl-cyclopentanebutanoic acid 4.07813e-08 2942.439842 3573.424908 3633.672372 3549.212426 2806.04204 3467.939543 3322.89898 4040.547357 2465.028668 2689.712297 3271.829655 3171.425429 14415.35116 8748.958185 5912.174208 61691.40309 10666.46069 927.0461665 1604.085036 710.5585778 1437.689962 1865.715083 1363.852598 1787.848066 2079.947876 4.07813e-08 531.0133303 4.07813e-08 4.07813e-08 4.07813e-08 217.3634163 347.1673304 335.4750013 2415.9539 4.07813e-08 421.0335351 242.0059125 230.5760746 2827.796055 3501.996901 4.07813e-08 435.618807 2078.725955 488.8565275 1912.384569 2806.278176 1021.010828 4.07813e-08 4.07813e-08 1716.245713 911.3560932 4.07813e-08 4.07813e-08 7alpha,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-oic acid 4.07813e-08 4804.982363 2159.415581 6048.236609 281.1437447 9463.602008 17356.28516 292.2580667 782.8870163 10163.96042 225.3248991 55650.45202 12119.11225 18208.13793 148887.2927 29981.42429 10385.49269 13446.68147 8845.529104 11512.132 6799.193018 13780.5502 17576.00146 22203.85354 14181.07309 4481.725537 5609.227441 2404.753514 26677.60629 14719.97003 79020.72916 934.1985416 2478.880237 91268.94573 1880.159155 6138.192047 4.07813e-08 16608.86034 8013.69843 10655.41918 16905.37276 8609.354694 18398.72381 2925.31056 6169.529683 62596.36856 21359.99351 15691.53381 4354.487933 1016.616212 15234.53694 9796.985082 26154.43667 2958.53474 3-Acetamidopropanal 1174.262298 2943.94559 2232.422562 781.7360022 1179.77282 2315.411712 1838.435462 1788.168622 5028.844124 1929.522571 2249.013117 1064.14099 2739.868263 573.5428797 680.8707961 519.1089909 1017.126128 1173.74285 4976.417352 3298.603006 8054.844931 1526.961025 4830.139303 2897.11271 2898.872313 2922.531919 2828.50625 1430.359634 1198.203789 1549.769175 2016.597232 1706.69161 1145.347436 2658.384809 983.6678505 3122.665044 2918.438605 1852.667831 2212.583102 2959.433295 1515.343227 5495.791672 2771.875787 2655.264314 2028.028518 6676.457514 4369.195248 5203.963165 2018.496836 4942.791072 1930.218495 3439.127832 1877.634477 1600.002481 3-Dehydroshikimic 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 10982.18977 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1728.795971 9627.173052 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9264.052978 4.07813e-08 9505.688867 4.07813e-08 9670.194647 8869.639656 177.9785688 9219.375931 1411.145817 4.07813e-08 0.390226533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 538.1449566 26.07596029 4554.422059 4.07813e-08 1-(sn-Glycero-3-phospho)-1D-myo-inositol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8457.153757 4.07813e-08 4.07813e-08 571.5689819 1959.264859 20078.05065 21939.35123 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13458.5537 4.07813e-08 28047.81843 4.07813e-08 17377.41534 10222.26886 303.0260107 15666.27118 14490.16054 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2830.181935 4.07813e-08 6290.422148 4.07813e-08 Idebenone Metabolite (QS-4) 70.35798681 188.5583032 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 68.61477791 4.07813e-08 499.0434083 4.07813e-08 684.4112586 55.98099128 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2799.68932 55.35323216 4.07813e-08 0.077973443 106.7943199 59.59862449 62.06753496 4.07813e-08 131.9161847 53.34631225 126.5765835 20208.93399 4.07813e-08 3217.728787 4.07813e-08 2455.397023 927.0002364 4.07813e-08 4734.733727 4.07813e-08 66.98611744 4.07813e-08 4.07813e-08 54.12937808 4.07813e-08 47.95681858 50.77333782 50.80445962 116.0967638 4.07813e-08 4.07813e-08 4.07813e-08 47.48139369 145.8789494 4.07813e-08 47.30259051 48.40391845 4.07813e-08 Tranylcypromine 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-08 819.7202324 41256.72409 4.07813e-08 485.2695586 159.4797594 754.4963354 19241.04725 117289.0388 133.6749068 4.07813e-08 15.53061173 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85201.68919 150.5441815 30439.514 9.00832574 71874.27074 28287.72476 1407.000074 46816.90735 152.6382555 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 205.9443395 4.07813e-08 7779.172787 4.07813e-08 Cynometrine 508.0775209 934.2792754 1279.088479 1351.81392 1848.921682 931.9927394 1114.292007 762.3857178 515.1584918 318.7202091 779.9518192 1114.229917 322.7918383 1035.659754 588.2464777 1226.920397 223.0736904 384.2409196 1191.044146 1408.231107 1016.527677 909.1397767 1503.695265 1698.908724 1208.624645 1315.524392 1810.284315 604.5107186 548.5288582 1186.197461 606.7938867 1025.963855 1083.01388 673.5259745 623.1550225 1262.295228 830.782435 791.8936487 805.6952303 1285.52288 1106.860583 2466.477159 1196.539419 1528.443948 1130.922078 1293.473822 704.7072844 1071.882114 945.3002463 1401.853721 795.0765825 1032.65396 737.5840395 1618.121212 Sarafloxacin 47.73799697 166.1854463 978.0040175 137.3062093 11.92030697 687.1872285 25.16340113 1127.4997 10.15215824 9670.67346 8600.156086 12097.75495 9707.631518 10517.00598 8977.879227 4634.146097 1662.901013 9069.493302 8.204107267 22.27031076 190.631732 16.37508723 46.4386764 42.93791534 132.8416278 0.107023915 44.22269322 9218.373409 8710.822989 4847.834579 6357.288486 8286.911998 11052.54972 13989.62862 4108.966496 9358.94924 0.143346456 455.9824867 851.873954 117.074259 19.31429129 24.31044201 38.41433206 2.592370676 4.07813e-08 17.63958908 450.2826981 274.7571739 18.40817208 8.35096746 10679.8892 119.3139476 8045.079085 23.27455597 Musk xylene 4.07813e-08 621.8284463 46.33597583 30.51475881 68.35862829 128.2732101 40.94599533 77.99470819 397.3634476 17212.24131 12998.46019 9188.891996 17723.95271 9129.493695 10514.42451 7509.919908 12681.13134 15144.72507 237.1870306 295.6519441 357.5641122 233.9167679 391.0889252 255.8649506 115.2005764 176.584744 118.4651857 10078.33658 12064.81098 10960.55104 10547.9405 15278.07248 8682.71213 11528.68558 5674.385993 13351.60469 67.49946664 47.17961316 155.3303281 4.07813e-08 281.9214893 283.2410925 226.8524862 362.8177414 299.4859594 274.0612771 102.9780409 103.1453644 109.0438595 487.9743948 15801.70241 156.5469663 12847.36131 23.31843011 1,4-Naphthoquinone 105.3519292 54.08948995 91.60705021 281.1488427 220.5420799 4.07813e-08 135.1170987 217.2532391 266.4996557 1578.431262 1138.42667 1183.108911 1264.336433 1778.074543 1998.201971 1968.057158 2029.128323 2111.022914 514.8535754 568.2435507 251.3311046 337.3558561 363.01303 405.4363302 223.4834155 538.6131941 451.9702062 1771.34609 1016.188698 2129.26063 1053.375841 1509.627697 655.4801247 2063.546933 960.4961274 1344.345216 378.38253 215.168354 155.5350335 317.2204611 191.5553049 146.6596575 196.1656637 400.6087293 891.6323188 384.4553516 127.2302073 96.85029437 207.9397184 216.1932525 1548.010419 256.8038067 1433.093041 332.2014123 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose 350.7534246 1268.288284 80.02960604 157.7610152 105.3445482 156.3489461 288.3038726 129.9268916 101.952481 7039.783407 4234.160177 4077.758133 7014.276318 2243.748752 3674.611532 1973.264454 2792.034255 3871.085329 310.9676268 186.3891372 314.9633768 308.3442991 454.1195021 175.3803069 186.0014491 107.7898397 255.1934579 5743.533252 4472.923698 2855.916703 3628.414014 5146.723457 3781.759187 6449.749075 2362.522914 2829.884777 1271.364349 111.7599654 73.90441971 294.974801 141.5790413 316.1481357 168.6832464 353.8903477 490.7018647 517.0667608 108.029328 224.8993442 576.3748388 1086.858245 5484.814791 570.3570425 4503.358384 317.0213797 Desethyl-N-acetylprocainamide 10204.52477 8504.476845 10291.53603 7292.662713 5487.392829 8661.388434 3689.180967 6193.076711 7806.11581 5726.303761 5442.409533 3993.039196 5610.963398 2669.04598 4907.66567 4404.833585 4075.443379 4626.331376 18777.04378 4105.272288 25158.73736 18800.99217 3418.004817 630.6880962 6233.315722 25731.11874 7990.365302 7270.72015 7011.516538 7057.383388 7617.465209 7687.354696 5361.859439 7727.520803 5172.256065 6235.384246 11188.01955 11963.66269 19248.73179 15993.96935 15559.19689 8632.701854 584.1944774 22493.70565 27755.69696 1932.718026 1486.775648 10879.22498 13010.27451 12926.5861 8055.383851 11751.58777 6869.856294 2369.691933 5-(3,4-Dihydroxyphenyl)-5-ethylbarbituric acid 2152.409592 5369.41717 6439.77538 2609.969743 2782.659904 4064.794107 2717.373338 4300.973667 6405.910148 2066.582898 593.0091034 361.6512555 2533.101961 4.07813e-08 383.8418334 4.07813e-08 1076.005767 14.34078635 1805.026766 1723.294621 2972.452687 655.4310185 2949.452719 1804.787423 2198.933534 319.4825908 3668.413658 163.2801438 945.4921636 4.07813e-08 119.4110671 31.86086033 813.7304003 349.0865372 451.895656 566.4312092 466.532904 3129.60601 6014.45814 4811.786509 1632.700216 2640.398113 2394.586099 745.880089 1062.720072 2424.586637 4845.889948 4170.383004 4268.773176 2903.779812 50.00430695 3719.761273 49.80095188 1949.119013 Nitrovin 0.003806405 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 297.0457505 86.60249251 13660.27406 13350.89239 27289.999 15212.79268 8372.153295 5235.843531 8812.984248 38783.46607 47698.54957 68.5141445 0.001479726 4.07813e-08 68.47756421 4.07813e-08 4.07813e-08 0.086469052 4.07813e-08 4.07813e-08 16545.05035 29261.10946 46455.43572 8197.97641 12766.92374 23514.76627 21868.39232 40415.36641 68200.65557 4.07813e-08 4.07813e-08 4.07813e-08 71.68905107 0.267876167 61.66222844 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49.31882247 201.6846856 797.7035025 25482.97189 587.9273967 26032.09677 771.4119543 TPPU 4.07813e-08 726.9188832 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.3956196 121.1337866 110.2918936 3801.642309 2503.480007 1891.850033 3242.353766 1301.031053 2526.682177 976.0092213 2349.682183 2395.720516 66.15425042 4.07813e-08 111.4417402 4.07813e-08 194.4985785 7.567141355 4.07813e-08 14.7296374 165.4706427 3194.503589 2998.992508 2300.346074 2496.354463 4318.267344 2149.088159 4199.217919 914.7697496 1873.39743 4.07813e-08 4.07813e-08 51.60213722 4.07813e-08 4.07813e-08 4.07813e-08 7.495607161 10.83917787 180.0620406 4.07813e-08 96.09087545 336.0557905 10.86135664 581.2828302 3621.939019 4.07813e-08 3363.468627 4.07813e-08 Sinapoylputrescine 34671.83738 29280.41876 10497.68331 20009.991 14030.89224 11040.88317 18751.30148 19267.43191 24661.06087 11481.51527 15922.99939 13933.96057 11754.59585 18351.19398 13700.38908 14070.74554 18525.92454 21945.59323 3203.486886 6372.861879 10519.78791 3566.7236 4455.656416 4431.507611 5160.780407 5703.330609 5981.064607 7243.956088 15756.06322 20109.89997 12309.32522 39377.15896 21649.10046 14479.66741 11111.33095 15474.43826 7445.51965 8448.892419 6978.876965 8827.586601 4513.462936 2723.618035 5076.99966 4708.955261 4320.161536 5453.634369 8476.511129 4753.86366 9302.544104 20286.93124 14732.44386 6312.502078 8266.333012 5856.786675 Phosphonoacetaldehyde 305.991571 422.3159566 319.495836 319.8708374 297.4533365 295.1321301 243.2616949 405.3303326 372.6158996 348.5812272 245.7816907 336.1046914 206.368882 357.7882009 90.30445551 399.2448117 160.5026902 342.9404969 269.318234 250.2118593 220.1168445 299.3912402 406.4759005 172.8953794 330.1639893 287.5085661 287.959797 279.3406573 200.9439252 280.1747145 201.1070659 69.7123164 197.6431831 162.7195425 268.3072361 432.4843134 126.7666648 212.5248752 292.7876487 198.6515402 295.3552292 177.6697499 199.276999 242.3996749 173.2947871 386.8581134 328.3561383 245.3322779 259.1165162 148.1228855 86.74258911 161.4189107 354.5604969 183.4435984 1-Hydroxy-2-naphthoic acid 4.07813e-08 901.0227507 4.07813e-08 77.71176524 4.425356903 4.07813e-08 0.174192653 4.07813e-08 86.40953029 3249.817792 3579.069231 3529.095987 3143.872595 1875.988206 1000.206517 256.6312521 3778.375886 2152.719053 0.474438126 61.18666711 157.479928 10.05074716 169.367537 61.08281429 162.8154628 166.1517802 0.530410256 2933.019297 4767.477651 5197.442442 1847.306193 5423.112854 2533.433518 3019.650468 1691.261312 3780.982915 4.07813e-08 4.07813e-08 70.83673035 0.204228365 58.23390105 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 70.44330855 4.07813e-08 329.1189184 736.2215379 4743.099857 4.07813e-08 2773.888958 199.3986119 3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid 33.16813747 202.481407 4.07813e-08 4.07813e-08 147.2102667 4.07813e-08 336.175004 182.3768773 599.9012309 2158.531474 2424.235638 884.0807012 2303.274928 1043.736696 2020.869176 1718.791763 4380.113527 489.2187831 347.7271023 67.32287737 35.98470859 154.0737484 33.97639701 168.0548007 36.90062062 86.59554157 64.67716314 6515.015731 923.709464 3059.907614 600.8765683 3969.178533 2795.709726 1516.868575 2875.559799 1534.899688 226.6349581 13.99942092 185.2454367 4.07813e-08 48.30589107 319.1568386 156.4571889 163.5809885 335.8602207 40.16028095 495.1488625 291.6708305 577.3735271 63.7601925 13668.74893 198.543514 12325.79912 1747.440896 2-(2,3,5-trihydroxy-4-methoxyphenyl)propanoic acid 2590.032751 1164.731978 1799.30964 1772.185103 3158.64392 3783.847197 1875.437259 976.6440037 1481.738089 276.8933038 223.7687268 275.3039905 223.390235 37.09414645 420.9435793 37.57518539 2222.125051 72.04475474 5293.821834 3763.12063 4999.078458 8430.163441 7837.750264 8098.243743 3719.542466 2774.803097 3545.524464 383.8921599 428.7460828 503.5135465 598.0258612 318.2169872 707.6903243 507.0125742 889.0620349 92.89773036 5056.772762 2306.447512 5337.531113 4239.307302 10683.05233 7095.568902 8086.196365 2286.602832 2169.02741 6258.86303 5540.756251 4645.81075 4961.337818 6173.953337 3481.913227 5337.713958 1649.25467 2880.317816 Indol-3-ylacetyl-myo-inositol L-arabinoside 139.4273064 5679.841228 241.1281343 172.1555326 4.07813e-08 531.1763616 4020.239753 1956.856231 274.133583 68444.51451 41309.62081 45387.89121 67468.39537 30843.42571 54398.47947 16095.17863 30338.23082 49447.67448 0.096687251 4.07813e-08 4.07813e-08 124.5240094 8.219815725 0.000146626 4.07813e-08 4.07813e-08 0.889674984 81645.58045 63739.34565 33763.09454 66465.76321 55626.48548 63371.50792 89924.01715 38847.74551 38542.83908 4051.882066 2.833441782 4.07813e-08 4.07813e-08 0.275178663 0.019657499 4.07813e-08 0.111461149 4.07813e-08 0.115714218 4.07813e-08 210.8699271 3246.977512 5403.919717 79552.73078 1108.222205 53824.53902 2086.737737 5-hydroxysebacate 212.9362069 713.061197 4.07813e-08 433.2823133 4.07813e-08 189.3491534 490.4814367 574.726845 436.43464 5291.181236 4825.16118 1754.234284 4533.650344 929.7537242 2474.038785 815.958511 134.1508353 1861.320026 105.2651297 206.4556848 273.9570698 108.5040909 302.6599079 848.9902038 690.3880594 210.1196369 746.1357244 1295.439592 2056.200703 1672.192506 2238.281528 1682.448718 3148.409614 6751.773931 349.5964048 1349.550012 232.7707554 187.8185595 15.75736664 71.03935029 568.242573 132.7885964 4.07813e-08 839.087502 220.0864211 106.2046598 180.3124573 341.474647 249.9669779 2023.47362 3933.323923 888.7629902 4111.861822 385.8283185 N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole 2954.348901 4968.687463 1778.031999 2754.806027 2911.458715 2137.152208 3204.211221 2668.425453 1993.831195 5993.603265 6138.524567 8534.410546 5727.22211 8492.779866 5213.235861 4848.363006 4567.409223 8039.910134 3003.58094 3914.699501 2900.722359 3455.438948 3307.515272 3191.952887 2826.177225 2631.418515 3256.606788 5145.709462 5806.450235 7994.303829 5062.004716 6850.381878 7996.492673 7117.164114 6378.279843 7958.616234 7673.065045 3188.057139 1628.804382 2909.335073 3905.641551 4222.882788 2795.188913 2180.909153 3691.857175 2369.127718 2777.364972 1802.091186 3066.834994 4337.06102 6659.667659 3240.033684 5515.748062 2628.121067 Phloroglucinol 61.78116229 4.07813e-08 435.3259292 743.5318079 809.2054607 1364.877067 224.5084924 602.4937502 286.5853767 446.032944 331.0510092 285.940001 437.7687917 302.8278214 621.6691745 352.3686181 71.56644462 4.07813e-08 927.3280318 744.3326717 976.7632152 36.8347478 4.07813e-08 1442.792836 393.7338654 949.0123043 1140.959775 206.080656 277.6386937 105.4742748 129.4813381 4.07813e-08 35.72057973 617.196339 134.2945861 137.0081307 230.6628886 540.9891821 860.6841658 411.1285559 1344.907002 123.6534874 1219.634099 2914.111699 603.6192757 6180.59163 167.4586543 1468.92673 474.9418588 562.9785505 77.01322164 1076.706479 4.07813e-08 1723.70403 (2E)-3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid 1852.535135 873.7396632 1634.88801 2004.558064 1857.082808 1874.770285 1926.725172 1058.321801 852.8646373 1.223715102 8.345170621 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 933.7704056 1.647993586 2.687944484 4036.710722 4641.930654 7358.562657 5193.917981 4158.900582 3744.561503 4295.942652 3576.879501 2094.305197 11.96660521 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.377163175 4.07813e-08 4.07813e-08 2490.36208 2566.916349 2215.076926 5550.592794 4933.27774 4837.326806 3849.160998 3090.934189 4457.703679 2176.43243 1827.49457 1714.32916 1772.040491 1188.440236 4.810871432 1819.941464 33.91011653 2020.160978 3-Hydroxynonyl acetate 8493.970954 4161.404152 5737.430717 3417.457848 9173.330619 6872.928016 6040.888459 4898.654823 3986.814937 808.4641123 463.2968483 200.68621 593.2685819 454.4017368 487.9400079 516.0564085 4.07813e-08 562.7859953 7297.360582 6573.174388 7672.287731 6102.492331 7666.752422 6846.809875 6125.259125 7060.838774 7639.314579 157.8179073 479.5429743 177.43721 189.4400367 406.4668622 351.8905052 449.7981432 317.4876702 143.3671607 4523.035255 5117.56647 5144.337571 6328.596033 6208.242499 6729.111147 7064.826842 8269.629931 8896.660828 5468.606556 3438.395459 4201.058598 4285.408544 3195.770449 249.3212415 3980.833829 251.6297441 4686.632976 Glutaconylcarnitine 839.576946 1095.741921 1159.629425 1505.005503 1818.241607 1221.861855 1290.998231 734.1509095 894.8947418 382.39677 1437.857624 1016.371121 912.5776047 2271.785452 1254.976719 722.5250547 163.3257997 1027.538434 2654.893012 2211.460424 2471.629807 2164.908756 1960.562889 1885.374404 2171.944961 3483.417844 2486.0191 498.6489102 1416.132859 1391.827329 781.2349529 2151.779614 767.7192276 1171.767615 573.8502463 1857.525834 1173.859231 2150.681199 2110.373797 2178.568675 1602.579572 2507.442148 1945.237637 3550.87259 3587.095331 1439.23656 1121.964785 1477.647669 1946.772592 1557.456275 814.3826439 1267.807892 741.2005227 1984.705046 Cotinine glucuronide 555.0734609 497.0699704 379.1105715 539.51415 368.3172001 245.6962196 821.3858509 716.633362 622.5299727 1035.636233 384.2662604 465.7503486 1095.196639 307.5974638 115.1860945 75.92943862 194.4264125 751.8576071 1710.972044 1380.184552 1622.529514 1322.781364 1273.630059 1163.427272 1167.576948 1637.270995 1291.601358 428.0835043 654.2961582 201.2233581 151.3167706 812.1164233 26.16275577 1287.906897 168.5480296 63.00483426 1709.675776 1069.931678 1350.174538 1121.94071 1649.745718 1677.641898 1262.210425 1192.121634 1843.237499 656.4369747 1079.221313 971.0152281 1156.713208 980.6812289 768.8615753 883.2208096 553.3004765 799.2393733 DIAZIQUONE 390.2303496 545.1333564 1219.850255 1002.226339 622.1243195 2021.934543 955.5404186 1394.310317 830.1864946 510.0328866 506.6909208 835.3704915 555.7081126 132.5887932 46.49565772 353.5856101 547.4137035 150.5256162 3637.187004 3605.382644 3748.650697 2176.783983 5201.004681 4304.718724 3102.650613 1488.3833 3130.349054 770.7365335 4.07813e-08 448.3773539 4.07813e-08 505.2118602 714.8301364 504.9299934 328.748353 447.683193 1340.8802 1926.119754 1936.543068 3310.539541 2913.080789 4441.48432 2923.525495 1866.162238 6020.849619 609.3851495 983.0686286 2081.175687 2189.638272 1447.761715 4147.088142 1414.171121 2907.284774 1762.324858 4-Hydroxyvalproic acid 3597.439769 3002.005635 3590.247629 3979.716845 4528.864683 3057.120647 2910.813578 3756.794088 3303.221688 451.1726527 237.8079585 370.2260577 4.07813e-08 413.2703121 4.07813e-08 330.6387333 4.07813e-08 480.6684731 6633.452978 5917.460906 5869.20915 4361.211509 7712.151606 6343.212956 4736.955827 6954.022922 5169.735264 4.07813e-08 272.6202835 338.3336196 154.8132725 397.0917048 4.07813e-08 218.6216458 99.5698233 444.4486741 4242.606953 5228.374507 4878.254272 5279.19127 6791.660629 7756.524876 5558.072616 6270.267925 13859.73405 2783.315734 3421.298371 4313.218476 2901.399238 3358.896384 359.8571869 4539.052739 4.07813e-08 4674.688079 Tetrahydrogeranylgeranyl diphosphate 2882.828697 1622.967526 3873.714863 4840.475072 1433.442095 1136.330627 2087.21815 8964.139541 15197.56738 3241.820588 3652.760218 6823.479093 2453.963723 4498.039728 4503.96152 3396.193028 3559.881987 2503.474121 1468.650259 1619.048639 2028.620006 1719.700555 1656.774983 1614.349031 2244.718443 195.3399075 510.2075884 10474.67374 6609.964588 5864.75935 3153.234194 4831.486315 3768.722285 8522.706859 2768.163869 291.8350084 2358.99671 442.3795579 1066.424181 526.0325139 1577.910445 1704.804774 862.1760768 525.8197779 1189.747133 486.4648165 6476.796783 3547.382812 3284.209129 5464.22852 10192.9389 5230.916582 1795.669003 2505.527424 Methional diethyl acetal 12375.27548 7431.565565 7645.076451 8403.49615 14111.78591 8941.802196 12546.43546 5736.490175 4159.693626 43.70486009 37.87120334 157.6863322 4.07813e-08 131.3478983 83.19324847 36.93272814 4.07813e-08 452.2763695 12141.99021 18372.64461 10970.73108 8720.209807 12645.08911 10697.31071 12099.45102 8986.46093 9384.632777 33.92098959 60.19364359 55.05444783 116.3521736 4.07813e-08 4.07813e-08 126.8961685 4.07813e-08 231.6624843 6627.401578 10867.86281 6214.758228 7649.383645 10195.72875 11508.28494 10861.50287 8721.270465 16124.53941 5891.058709 6640.213174 5809.383927 5081.831857 4938.406377 156.5101971 5657.623995 105.1432318 7562.464191 Aniracetam 132.3907405 600.3296511 4.07813e-08 92.39012602 74.50371568 4.07813e-08 144.2071691 358.9081088 858.6709837 1770.837312 1763.64935 1852.422093 1859.774758 1476.570695 1418.379036 1115.02853 2603.710901 2373.530709 60.06701519 124.0775479 49.12183363 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 121.919249 4.07813e-08 1972.185915 2219.491706 2295.732514 1582.042571 2376.515452 1796.965998 2451.296007 1926.017613 2133.106144 4.07813e-08 4.07813e-08 4.07813e-08 57.96461397 161.339782 152.0678363 122.0406525 74.71383148 73.50775638 85.91852938 189.9639794 59.03192324 304.2655954 313.4451032 3316.566719 536.1024293 3180.743893 406.062613 6-Methoxyquinoline 1465.730063 1243.907971 2239.860228 1649.56839 2574.323991 2297.485146 2013.083724 2929.967636 2175.474757 283.0024785 140.2179083 251.0422259 86.5448542 113.1820906 356.0157518 116.8850759 323.2051203 4.07813e-08 4301.262182 4739.576084 6306.455944 4618.545062 4664.168254 5432.383367 4273.255768 4629.451848 5487.957179 74.24345072 626.9394616 180.692727 97.2017641 392.7608896 4.07813e-08 74.5268774 348.1673985 4.07813e-08 1786.805327 3856.171833 2712.53111 5062.066121 4581.262195 3531.455409 5122.220723 4429.733005 5293.767339 4156.916729 2681.642094 2464.841923 1992.615635 1822.161692 551.7958023 2478.952532 369.1812058 2707.533416 Bambuterol 539.6157295 4281.589227 4.07813e-08 580.8280046 145.5634034 146.2558768 4028.18896 419.1028778 869.7492041 13781.77583 13063.44013 13617.37571 10350.54517 20696.53131 7384.709889 9986.508475 12927.02891 7284.373216 172.0464509 605.1246946 2567.587554 5395.277414 411.595811 374.66476 3058.675645 680.9716015 4.07813e-08 4172.534487 13104.49186 9860.972275 6565.323399 9853.083018 9347.646733 7994.788036 7169.998635 7772.558503 3257.131021 212.401562 325.4878276 295.0565595 757.3048823 249.9091609 639.8079237 592.8991954 1040.494746 4.07813e-08 327.7477329 442.8515668 301.3505321 2081.468738 10405.59047 1632.201175 6587.484405 218.3942101 3'-Hydroxy-T2-triol 230.0753959 220.4250356 4.07813e-08 0.105898977 240.9259074 0.00785513 4.07813e-08 0.012071249 0.0484532 228.6836447 7373.681476 4.07813e-08 397.1368424 319.2530037 1005.731042 16723.57579 9193.967075 4.07813e-08 1771.000123 768.0369729 1243.964454 464.4864985 1711.329009 328.7950767 526.0036525 900.7968035 1781.036733 11780.38274 5.162498213 10806.45027 4.07813e-08 8491.426113 8667.33072 527.3655383 6843.861287 3691.37858 728.531571 397.2724669 736.1322685 4.07813e-08 235.8180133 1286.703119 245.0440222 1709.755189 1497.355156 321.7914874 219.1209959 984.8951899 5.779196324 292.8622237 7693.611378 0.165616928 24035.06713 672.8431322 N-Methylserotonin 19321.99745 4648.878446 30799.14336 22096.94186 21237.07234 7996.489022 5568.742573 26596.17505 35312.74604 105.5278915 6050.483308 309.831628 4.07813e-08 133.6432572 139.1578418 4.07813e-08 4470.030625 4.07813e-08 23339.67452 6827.706675 25224.46504 29936.68679 25071.4537 9661.94158 14386.84214 20368.90116 24764.14724 4.07813e-08 4.07813e-08 3029.762032 4.07813e-08 2668.778665 4.07813e-08 3556.044546 4.07813e-08 203.0325916 17821.81895 4901.856234 27493.99646 8823.512864 33465.34272 20013.66868 8600.404407 16480.86127 36383.40368 7797.619868 14642.33928 14949.08613 10003.84827 10153.39248 5505.512232 11208.19323 3673.784481 4759.814496 Methyl (S)-2-Methylbutanoate 929.372514 1215.072332 1169.583423 2055.970584 1628.753193 1858.74893 1483.589068 1297.281258 518.5117623 4.07813e-08 240.6358044 111.3236327 207.2154889 422.9672526 208.5062436 463.03374 4.07813e-08 4.07813e-08 893.7775098 846.8420624 583.353112 899.4085039 443.4026829 591.8397716 567.5255643 880.1163557 390.7482942 56.0271013 134.1086793 243.0762618 4.07813e-08 4.07813e-08 577.7188135 4.07813e-08 273.9144103 79.89869579 869.3858943 1078.109855 753.9486765 329.7265443 721.6151614 637.8677508 649.3390468 895.3833565 628.2315129 251.2018987 840.491149 714.2150876 690.0127575 713.3434758 120.7533992 934.1342224 47.42537338 751.7720351 1,3,7-Trimethyluric Acid - 13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3) 4.07813e-08 1094.589875 137.6194604 568.6826469 242.2355714 4.07813e-08 904.5855981 1302.651196 953.8466488 5473.089665 1463.308902 7680.233169 4930.063357 11359.17476 5347.54013 3491.91014 177.9106722 10237.41026 16.47062811 142.9567311 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25.12457099 29.42675088 4.07813e-08 132.6013865 3378.435392 3028.726615 3406.690584 1631.689337 3810.582472 3548.021397 1406.150786 11555.06178 37.86033961 34.47229445 282.778721 88.25458245 5.950703083 300.40381 14.12092896 273.2849216 294.9447736 4.07813e-08 135.4316508 140.2072382 4.07813e-08 505.9662148 3076.585238 4.07813e-08 1986.525201 560.701709 LysoPC(10:0) 113386.4671 65793.08863 81591.30108 78290.49265 93473.21825 124360.3714 80078.33483 86932.34553 95187.08315 15243.95428 11618.51803 7322.890229 15009.33314 6633.857596 7095.703373 3376.968962 3942.474718 19612.82675 176722.6728 155283.2329 140291.5744 149136.3512 185143.9387 199260.6597 137628.891 151110.2275 178152.5655 2532.685901 8877.729798 9251.459707 5118.599768 14216.52773 4537.526581 7040.139872 709.4758762 11608.95846 113236.9551 132826.2146 126155.7627 143522.8486 171224.4164 164892.3424 205280.17 141491.2095 203779.6724 137610.1299 115457.5583 113458.7429 87963.025 79927.37032 11149.43676 99670.27169 13050.52042 124187.3348 5-Methoxytryptamine 1226.148698 2049.613697 9620.16139 9368.264484 11015.02273 348.0770988 3599.489794 6879.930688 8000.075699 4.07813e-08 1982.100418 4.07813e-08 107.932572 4.07813e-08 226.7601894 4.07813e-08 4.07813e-08 4.07813e-08 1206.505342 543.9701621 8264.080686 15814.55072 10435.19664 894.3672018 10579.90234 4273.98873 421.7954076 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 143.053378 4.07813e-08 4.07813e-08 1344.930546 136.0758963 9220.053308 3193.548405 20792.3088 8485.074406 1237.603675 3341.587412 9720.102874 10269.52621 14582.76951 5316.386145 4395.010839 6465.084575 168.3361672 7199.793027 4.07813e-08 686.2886974 2-Methyltricosane 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27177.59711 24144.10455 17256.75913 27821.64439 12782.84434 17843.69205 4831.629141 11867.26558 14947.56888 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14544.75869 13330.2308 8290.450136 10761.66411 2568.315469 16825.06956 7099.228599 7005.304001 9166.450563 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15693.59037 4.07813e-08 17362.21704 4.07813e-08 Elaeokanine C 185.679809 835.7280026 3763.915098 5692.478877 9101.740116 3379.012374 3057.415426 4.07813e-08 4.07813e-08 4.07813e-08 186.1040045 1228.484882 4.07813e-08 85.57882136 4.07813e-08 358.2284686 4.07813e-08 4.07813e-08 8226.601205 12629.91997 12374.94327 9838.422262 16502.79119 12854.87704 12446.31189 6575.858052 11682.69182 4.07813e-08 1647.615723 1384.552986 1282.256364 427.2435155 845.8388174 1076.448141 4.07813e-08 2031.859994 5054.123634 10016.70859 4709.694355 11310.84656 11634.25464 14825.53145 14297.90467 6188.664916 12649.87227 12940.00496 7875.751268 7313.911192 6837.038473 5219.460994 1044.868128 5566.822809 123.808794 8220.943104 hexa-2,4-dienoic acid 5023.433343 5007.114009 5102.207563 5608.179564 5799.64339 3795.195464 4374.228449 4310.915791 4694.091105 4022.247476 3826.935153 4304.190927 4448.253643 3914.170366 3062.580628 4330.958286 3611.215838 4517.1335 3519.781469 4337.787009 3479.77341 3689.603556 3344.339965 3452.932809 2924.131605 3919.705938 3808.694761 3924.470433 4549.45603 2877.560863 3780.985353 3443.652698 3208.575511 3109.199665 3687.536499 4767.549448 5200.241715 2730.499239 3255.273721 3064.197978 3284.799626 4197.538649 3920.115803 3861.16444 4845.415202 3248.661174 3921.731091 4050.717636 3719.764259 3873.904152 3236.758236 4221.669804 3941.184829 5891.311764 PA(17:1(9Z)/0:0) 73.28596065 69.94034661 333.7882318 643.4017156 366.3775542 360.1273944 78.30417046 163.9841959 352.5691458 14778.58691 28290.01352 39018.34981 14923.23189 55767.46309 35681.2798 47363.83796 44846.43106 31772.29288 138.8212225 198.3392331 84.62743645 176.9206824 748.4010252 466.9064872 279.9307706 20.97622114 361.3356849 21640.36175 19119.29363 70473.56898 9652.94224 35748.33639 28252.9997 6600.026414 34470.53597 60240.41773 7.705806208 158.5833663 22.85621377 196.3732687 256.8337836 361.3009841 152.4823176 32.55084411 357.8320059 614.203417 62.67931489 98.05059426 46.99055494 30.08298579 20146.13407 46.98360392 10818.17288 8.12297027 8-Hydroxymianserin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 542.0622061 4.07813e-08 4.07813e-08 4.07813e-08 293.4093628 13172.68691 747.3792127 20969.30155 13721.95142 55214.72664 26352.71527 14864.65168 8197.177131 103580.6567 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 2886.239403 1091.062903 245.0891236 13813.72706 4095.412955 4.07813e-08 3559.529431 1524.183513 11170.71806 262.6712292 4.07813e-08 4.07813e-08 4.07813e-08 99.08543315 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3139.597294 4.07813e-08 9103.467272 4.07813e-08 413.3671858 1661.220952 Bis(1-methylethyl) hexanedioate 326437.4219 220366.8561 309120.2308 262690.2902 303305.3436 338021.5565 294408.2171 320629.718 297539.5635 4318.365847 3725.069021 4210.776896 3702.008661 4605.788662 3526.597564 4571.052297 3398.211504 4567.153401 448191.772 475146.8823 365941.8057 369664.4568 347140.8141 449250.1657 366056.8497 386033.766 443004.1804 4120.768992 4080.470277 4092.81559 5205.311739 4020.306012 3728.211964 3780.968307 4451.444779 5327.846023 224396.4094 401119.0424 324526.1233 361955.995 366505.4655 371359.0157 427670.4896 393118.798 362336.955 327214.9618 282698.4595 375006.4035 290320.9848 220867.3312 2976.237463 334158.1435 3459.69565 357452.8229 Tumonoic Acid I 265.3633831 615.597412 41.15082355 19.28561221 30.099417 24.47173084 32.76783894 34.47352182 15.80647175 1339.95245 780.8262909 27582.8504 1152.328161 424809.5518 67699.34538 43626.01642 30905.75615 21467.24237 6.261978226 27.71475067 18.46794476 50.65728259 30.43813319 29.81062178 43.17602153 1088.050249 8.060373994 12798.02319 835.8325879 12.09674059 6572.539793 3130.257612 1253.755103 2431.829905 15034.46714 383.1455553 4.72877333 12.80349293 7.452149823 66.55031066 58.68506263 35.48336023 42.11108732 448.9077261 4.94631059 17.41890012 18.32747191 835.009301 11606.52666 13.40261755 19269.65711 22.01409472 856.1272549 2.257749309 PI(22:0/12:0) 1310.363306 1134.408096 4760.536305 4.07813e-08 4.07813e-08 9225.923118 4.07813e-08 13738.1239 7156.707821 3857.590334 428.1327981 546557.4253 4908.909507 607456.6116 618534.8209 83671.23078 508421.8325 441869.63 7800.798492 4.07813e-08 15391.90791 950.0682702 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 144700.4891 246388.403 1734.444844 127103.0686 15707.83466 4221.913156 273609.326 283313.4732 29895.50136 13237.12271 4.07813e-08 22337.37708 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7621.516586 103913.1539 22970.22131 38536.18395 3287.93043 23665.95159 34236.81417 4.07813e-08 3473.484905 Pondaplin 4.07813e-08 2293.179601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5058.405173 3187.598019 15886.36208 17598.39718 21150.4073 15027.90435 39030.34514 19482.41129 33137.27015 64914.3028 100135.727 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76455.89419 66860.28245 41926.5735 100109.8388 128499.6549 45023.76277 77375.33332 41277.14158 64164.61434 4996.471198 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3796.857357 1123.80899 15174.98093 9516.674501 115993.8953 9134.242883 26029.69307 4475.312189 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid 10657.51492 31140.1637 6178.223474 825.4429829 1432.102468 12666.49234 1379.735624 15813.10809 48582.9248 17878.38848 1741.184635 31840.89802 18083.26702 161875.4127 116648.4097 10042.8934 47378.70812 239534.9148 3874.576551 4274.2262 2636.08311 11778.05569 2026.659187 2139.803877 2003.239527 855.6644963 2420.632813 4818.734161 6142.202962 316.7104914 59521.2021 40217.53575 3144.244437 43129.32189 8736.754859 9052.99452 3645.383547 1459.529354 5460.883451 2455.07525 4008.3471 4249.52204 2490.944065 391.3009561 4046.220555 8168.564367 79581.5195 17357.30745 118639.5679 28009.39229 117766.1367 24996.00409 1411.444224 25320.81947 ox-LGD2 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1280.397341 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7064.840692 17901.77314 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52227.43915 4.07813e-08 6750.445764 4.07813e-08 18387.92713 15074.70471 4.07813e-08 18818.45724 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6011.240422 4.07813e-08 N-Desthienylethyl-rotigotine 48148.51628 106794.8804 17108.89699 6251.47901 15132.49267 33340.87025 20698.77372 57732.21447 65559.36343 238597.6494 76123.15472 721445.8758 235158.8491 987215.3002 869479.3722 527886.656 1122106.998 965792.4246 489.2697855 309.0484525 4835.614664 2000.259199 771.550487 333.0979626 1713.049079 4.07813e-08 4.07813e-08 399085.5889 401226.8835 99511.20139 463669.0051 196999.4789 145766.9164 362135.2549 647435.0348 223110.7022 988.5051071 489.5603782 453.4581814 809.5153725 171.7024054 468.305359 180.7381978 158.8000833 4.07813e-08 1404.159339 166503.3436 56728.05753 205471.9986 73869.32959 317745.4988 69316.12113 131561.3371 100147.3521 Pindolol 4.07813e-08 3239.931816 4.07813e-08 262.7678227 4.07813e-08 1012.579742 3205.459955 4548.85554 4450.550367 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 228.4334069 4.07813e-08 4.07813e-08 4.07813e-08 2560.249302 11538.18975 2282.721309 4189.857505 3947.23091 2626.091199 1930.355984 1741.62507 4.07813e-08 824.9522447 4.07813e-08 803.1138588 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4863.830621 1407.39984 6804.453778 4549.559521 6011.080135 2303.131744 1769.361088 4.07813e-08 4.07813e-08 4193.829024 8390.44579 6111.837816 3850.943893 4655.563147 184.5124143 7270.416717 4.07813e-08 1184.341113 3-(Methylthio)-1-propanol 4.07813e-08 239.4068185 4.07813e-08 226.5018326 224.7264401 4.07813e-08 4.07813e-08 846.158355 888.4749058 5889.79359 7711.587471 11254.29475 6208.053366 10043.21624 5580.669849 8095.448615 2149.526635 4676.756375 71.8390555 4.07813e-08 4.07813e-08 77.60019703 93.90659429 4.07813e-08 4.07813e-08 4.07813e-08 89.60250151 19565.44242 5319.870187 2288.339721 7350.974454 2863.159099 5038.520986 5069.711037 4028.212644 5395.122599 204.472367 252.613065 168.1563114 106.8655089 96.25940928 4.07813e-08 4.07813e-08 4.07813e-08 243.1320008 4.07813e-08 487.9996416 180.9183209 374.5194368 1132.708185 6452.97229 295.6346997 18636.99836 956.2557997 Glutamyl-Glycine 1435.774237 380.7093819 4023.137615 3047.959843 1137.411913 3025.296464 2139.269813 2356.428968 1804.155656 34341.68158 32362.74954 22407.64547 32620.5228 17303.67891 20279.50943 22145.07093 13856.36057 33726.24249 501.1588657 103.935109 1262.705423 300.4872063 2592.111497 891.1404472 428.252455 354.481715 983.7338509 23322.63328 30158.24034 39959.56476 13683.33344 28946.44989 20330.29889 21561.1904 7452.638498 34170.77195 839.0409276 1643.830405 2220.566396 4178.440839 1199.671346 652.720784 1011.121895 1285.527019 155.2807536 1317.608003 635.0486281 1757.265801 609.1884779 1541.198138 27055.77499 2041.162333 39244.30801 1128.84773 (Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside 3710.873536 2526.892921 4947.28561 4671.492028 4771.285978 5426.959288 4328.427396 2474.675263 3005.332772 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5824.624564 4383.428637 5288.03965 4497.658744 8882.284178 7380.117505 7623.606419 12409.91578 10906.91763 4.07813e-08 323.3304122 4.07813e-08 722.965962 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3951.940421 5724.018832 4867.481236 6510.420578 6025.712525 8638.0151 8432.071047 12174.01557 6297.271952 6216.400833 3878.068721 3972.002807 4186.539624 3201.684896 4.07813e-08 3619.509466 4.07813e-08 4612.05698 1,3,7-Trimethyluric acid 4.07813e-08 653.7354927 4.07813e-08 4.07813e-08 1241.83765 4.07813e-08 4.07813e-08 4.07813e-08 714.1619292 118273.7755 129937.1694 62539.12013 123343.1979 65717.34904 87527.84109 64911.26025 59079.14345 103659.4626 4.07813e-08 4.07813e-08 130.3532942 129.751501 285.5162286 43.06532743 4.07813e-08 388.9018956 392.4661418 87242.343 109154.6641 113229.2103 72202.03983 127208.4263 63908.55712 75337.24776 29952.56578 106807.6508 189.7573657 4.07813e-08 164.4449843 4.07813e-08 4.07813e-08 152.6175324 451.7612006 940.0165767 392.0990355 4.07813e-08 234.0131995 4.07813e-08 544.7604234 4371.363516 117741.3373 4.07813e-08 135366.0589 330.6906784 FK-409 1382.422431 1063.309497 715.6299092 481.9404701 653.1481109 990.148397 596.7741214 461.7962596 949.3900631 541.0665647 139.6304297 131.8763004 253.7181383 90.00320259 140.3943824 137.1818324 291.9441458 618.750565 1373.116759 1968.061171 1643.891483 1622.956395 2320.737199 1651.047801 1338.417772 2020.207679 2271.177534 184.2731379 403.6987711 161.1126414 214.1219002 329.4640677 194.714419 450.8833907 4.07813e-08 205.2381789 1909.59085 1878.310291 1221.229742 1428.017704 1135.279033 2384.539663 1290.802593 2945.033165 3288.735487 1370.265251 1441.98241 1305.28673 1095.7615 1116.039331 714.0810628 1007.876844 750.254224 1264.761071 Sudan I 196882.0219 251923.2908 28328.65949 172232.9864 656978.9525 100342.2282 70084.89481 91735.26979 45558.90527 3071.24261 15473.34566 4080.538121 5108.939619 4956.77202 25573.07496 12516.83037 67435.94683 13905.46125 232047.0414 69300.27038 79638.73621 88181.45596 155039.355 73001.68498 103156.1857 6699.544777 53057.75104 63359.8277 8402.733495 15692.85382 10484.82088 11860.7561 8561.917098 5453.917222 44805.34478 17777.61821 149780.8505 132219.4538 104214.6424 100608.7161 168549.7732 248633.7964 63955.45807 14768.51268 14316.06253 416680.608 54924.36455 167013.2497 144973.3624 102780.3858 6920.060391 207519.9935 8859.974612 100282.3587 Methylnoradrenaline 200.8782844 324.4077091 518.8146031 370.8439713 428.6559554 455.7580195 589.9551185 494.3440396 342.4395687 164.9497667 83.13697127 29.31730028 28.72923241 4.07813e-08 35.58958227 4.07813e-08 4.07813e-08 38.71660152 1480.203185 1869.686707 1352.452077 1114.472278 1957.87637 1763.241475 1480.533388 1940.18898 2182.065746 56.12923175 31.48901886 4.07813e-08 4.07813e-08 15.85121145 36.19732225 138.5843732 4.07813e-08 4.07813e-08 698.27067 1208.424734 885.1959936 1383.078361 1740.231837 1271.968149 1404.632906 1878.976756 2712.46557 2015.283905 1010.487567 970.8790606 709.5841129 226.3498942 165.3558433 840.2835617 4.07813e-08 1009.443759 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid 997.7295555 842.1967162 1033.952934 762.1928109 780.3263375 481.6632159 877.8937244 699.452631 635.7440144 190.2959961 203.0455828 174.7833253 198.6799651 4.07813e-08 4.07813e-08 4.07813e-08 33.89525819 54.11726011 1880.394576 1146.872334 1919.021437 1744.935206 1302.490424 2096.41734 1644.761947 1820.586872 1585.411922 136.1049671 244.5797219 4.07813e-08 46.0093346 163.3779279 164.4408264 186.6812496 4.07813e-08 96.71766488 1221.950803 1134.095083 1227.061182 1671.565713 1843.518654 1867.418149 1758.649613 2722.389509 1691.111216 783.7740348 780.8896116 1146.898027 1463.866344 1375.722653 358.9860194 800.6606374 135.0599905 1183.142177 Desflurane 62341.20727 55745.32637 59564.90517 59896.33268 62806.72529 57759.04152 55555.10591 56339.90463 56591.13518 45442.30116 42882.84922 45899.17149 45101.49693 49736.25192 43491.99792 54847.28196 40363.60872 51945.53095 44145.96475 44163.73698 42859.94655 47540.93594 43733.40907 44966.3789 44076.29926 50989.68893 47420.6616 42227.37386 49881.33236 45748.38107 57333.09422 42423.87498 40983.03039 44412.01959 47936.7785 52787.69414 50561.55349 47345.48171 46628.54321 42558.53381 41604.16783 44054.10187 48435.64757 54393.72788 53958.69866 50408.12922 49403.53433 48388.59484 51001.76846 46518.79156 38614.16618 45852.19735 52355.00393 57679.13208 5,6-Dimethylbenzimidazole 18658.59068 17109.65519 18925.80677 17864.79506 18630.1269 17440.59541 17120.84636 18513.42723 18924.57577 14758.96999 14016.34787 13723.31216 13200.54161 16902.07723 12892.19933 16485.0679 13671.57154 16572.72507 12956.19799 13191.58012 12986.1706 13323.78249 12926.2804 13699.96855 13221.0998 15624.4067 13958.98271 12888.47542 14938.38512 14486.0865 16864.2402 13692.77051 13317.41113 13302.9604 15386.55364 17693.23802 13373.46772 14275.3142 14230.41996 13554.86987 13342.66464 13239.07553 15080.70564 15756.3023 15271.76329 17025.47512 14835.40646 14418.47434 14962.36432 14197.8004 11727.47159 14776.3817 14109.95877 17746.4436 Acetylphosphate 2847.68938 3137.787786 4121.474992 3268.847079 3927.162296 2934.520676 3701.920627 3159.595288 2392.346886 1475.034447 2603.212635 2405.501053 3067.005086 3323.951052 1745.159752 1893.715529 2712.905469 3088.421326 2092.123867 1999.879341 2586.767727 2182.02165 2539.692001 2305.448539 2624.307558 3416.31542 2475.993738 2738.505763 2857.950218 2764.502357 2889.982984 1984.021995 2253.257554 2425.598026 2527.645227 3332.077009 2919.91104 2847.129451 2508.014189 2370.354971 2483.104776 2448.646732 2836.200381 2415.24608 3014.310525 1820.402767 2846.123648 1863.967515 2854.838272 2045.887034 1907.560714 2442.076372 3475.5014 1709.172504 Isoflurophate 4.07813e-08 4.07813e-08 94.75080192 4.07813e-08 86.99504097 4.07813e-08 4.07813e-08 4.07813e-08 9.154270161 6027.611138 4935.707042 6430.095826 6016.163694 5547.970196 2962.403249 2874.457027 1618.006855 3565.687663 245.3080283 4.07813e-08 307.6293588 4.07813e-08 700.5918164 170.3736521 303.609324 4.07813e-08 429.4370028 4264.585407 3514.266543 4780.757919 2921.058545 4329.344988 5970.186979 5289.997696 2771.311244 4737.622077 4.07813e-08 44.5741495 329.431115 250.1012012 149.0251653 622.2904246 218.7136925 4.07813e-08 81.69092727 4.07813e-08 164.6785858 80.04475441 69.93906498 211.4057511 4729.330151 141.8835626 3808.053355 186.1364557 4-Hydroxyphenylpyruvic acid 757.1749393 637.1278272 2074.399322 3733.569121 5439.399137 2242.200448 1810.559798 1439.124707 927.8069032 4.07813e-08 4.07813e-08 34.22651958 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2043.705806 2326.263556 1274.865248 1245.87022 7469.781915 2551.355059 3688.244651 474.3782019 3119.373672 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 82.2976647 826.3324115 1378.103975 877.2342851 3103.394332 1391.156449 4802.114345 2416.871573 808.5888598 1723.648188 2356.954924 2026.8925 1649.486471 2023.977561 1765.021056 4.07813e-08 3195.865731 4.07813e-08 2512.156358 Cyproheptadine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 169.4625003 3465.896394 4895.116197 6647.253932 3949.605572 12815.91617 5530.0187 4264.696796 15371.85425 4383.724607 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4963.540328 8096.507863 4807.224481 3150.624668 10129.51797 3477.612641 3641.329412 8208.254065 3789.905219 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5941.899006 4.07813e-08 90.03026717 4.07813e-08 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate 4.07813e-08 1036.793065 4.07813e-08 108.5101311 4.07813e-08 93.46937296 168.5212572 1169.167417 152.6751452 2255.002431 1264.979836 4438.810766 2126.314916 5706.115013 8114.602069 300.665842 5342.293954 1791.419072 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27.5946776 31.01534833 4.07813e-08 4.07813e-08 24.09531493 18589.76618 6359.166835 6170.39011 5015.819492 13682.8016 7557.816292 6520.647185 5310.264741 3719.668239 1936.668096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21.81547467 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 468.2772331 2521.386429 19362.08678 22.57171986 1155.207171 1013.404733 N-Acrylylglycine methyl ester 1023.859345 1753.600694 1120.40926 1024.281655 1444.641677 1221.668342 1419.053196 1595.550687 1252.44718 2385.272469 1960.024667 1674.022832 3033.466571 1046.114033 1984.681873 539.5498828 1304.087201 1795.343236 2522.841986 3052.378745 2414.471188 2320.855011 2714.525857 2571.259591 2264.635087 2646.527477 2936.82926 1877.647833 1646.132149 1442.982632 1413.245136 1633.52364 2104.939471 2353.228012 1025.468059 1179.67463 1937.970319 1948.259803 1563.526524 2071.019664 2326.696876 2929.517048 2247.351421 2761.201543 3356.596175 1541.076014 1709.35799 1666.162206 1970.171618 2455.862355 2619.725853 1884.322873 1948.70617 1773.166311 4,4'-Thiobis-2-butanone 2639.999317 2474.64083 1881.194948 1369.672118 1958.388615 1945.170038 2348.562803 2670.855624 2794.691965 2152.775355 2093.955514 1217.28219 1977.523941 945.9544074 2167.102105 1166.475292 1370.691128 1339.124126 4121.981232 2761.984683 3526.723615 2793.611336 3305.258342 3504.204346 3347.691355 3766.906545 4196.804321 1962.288488 1335.404514 1423.516841 823.9901882 2180.270241 1694.664931 2833.875936 568.3446139 913.0719112 2319.060521 3144.438863 2796.735478 3268.219839 2576.146854 3777.940417 3094.887558 3230.021119 4158.356841 2115.548688 2375.361179 2189.847455 2599.823128 3335.446735 2420.062462 2356.7624 2690.461789 2903.025829 Elenolide 6805.716289 2940.315407 4270.938834 3178.985272 5273.778439 2941.459003 2588.638603 4557.795191 2930.919007 1902.814827 315.3573577 4228.262357 2263.458835 8056.792862 2501.067692 1097.559138 405.3646474 6277.984481 3467.935798 3000.54426 2125.757294 2834.200639 1382.715068 3110.377232 3169.472399 2915.896082 2128.260797 233.4024786 2924.691308 1655.964615 2846.974549 497.5245566 582.9196383 2337.307177 503.5321025 7671.264476 3372.366488 2558.993613 4417.65662 3728.745927 2480.653022 2952.808187 2819.184573 2927.11618 6303.395938 1599.955373 2729.63195 2432.47717 4346.869028 4277.216764 2555.936171 2362.705792 475.1475822 2480.161376 LARIXINIC ACID 547.3499798 688.8081483 838.2666821 1950.193289 2167.85831 639.4699603 1179.264154 1561.567626 244.10783 92.28246502 4.07813e-08 543.7367364 72.49721759 269.7634322 4.07813e-08 111.7556764 4.07813e-08 86.26724291 751.8021752 1008.957254 1490.22924 1108.400346 1793.366971 930.2198198 1482.215474 1387.768368 1549.689298 4.07813e-08 4.07813e-08 248.5076766 4.07813e-08 101.5797853 107.1687257 83.11568904 73.34897338 209.5346562 1303.334744 1034.442527 786.0299475 1160.923645 1361.654942 1338.087426 566.7670216 803.254918 1786.194394 633.6707168 215.3498569 706.1880802 1324.726324 1001.154166 150.4558989 771.4841847 318.4760535 1174.479714 Nifursol 4.07813e-08 744.0073024 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3372.970033 4718.625728 6860.495509 4706.721039 7637.414136 2962.133448 3333.760814 3969.912002 4909.386484 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3291.19775 6646.328619 8101.150757 3520.187172 8145.114839 7131.040047 3198.114048 5111.080299 8114.684923 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5308.547438 4.07813e-08 3350.592248 4.07813e-08 Prolyl-Lysine 970.565536 1736.872092 1496.55471 898.974702 648.0533618 911.4234141 1336.545506 1540.176911 1104.261597 962.7075996 549.5709952 1125.058655 1330.477615 621.467192 1066.544445 1006.430514 945.7474694 1274.147988 975.0621054 923.5060765 958.4627953 1579.614615 1417.519184 825.4280124 837.6864437 831.9459925 1456.776507 272.0689977 652.1676165 667.2177841 587.2766892 1238.995165 510.2646003 514.0117265 1144.364363 757.7825879 442.3658054 849.4232748 1133.724193 1027.475273 788.5984963 1100.709074 930.7734407 696.62651 1163.333078 605.5518815 991.1165007 994.2601602 484.4283317 1088.094917 581.5999941 1078.552117 476.8097441 1691.529716 Isoniazid 522.5201027 2703.613575 88.80345267 416.0206519 104.2038499 136.0534863 358.5078015 780.1145216 337.935324 8406.717469 6705.526201 6419.827639 9459.119566 4873.532269 7150.284344 3571.04754 5415.452943 7274.482603 398.0172632 481.033149 590.5695667 349.2866753 852.9780045 429.3020955 309.5778484 689.4231324 737.6529995 8696.737683 8233.826956 4531.157443 5347.953175 9019.539282 7530.180245 9365.288523 4036.871616 5312.940745 756.4509506 330.12451 672.0453273 381.4842548 216.1057443 1069.134683 219.6886535 652.183029 613.2339358 55.4417027 240.7506031 216.8218975 1132.683508 1440.46439 9649.054491 902.8603443 7763.30885 312.2625034 3-Nonanon-1-yl acetate 6522.755164 4872.119333 5252.192262 4853.215826 6091.59962 6511.300153 5843.723422 6377.857351 5435.796741 653.7307441 540.1901875 482.6664395 764.4146944 184.2101513 497.4203512 232.9238423 243.8410405 512.7695535 10128.93666 11327.22831 11110.30185 10258.16062 13534.67865 13355.08894 10861.57968 13578.94697 13562.16184 439.5656163 520.9170335 204.2756334 447.9827644 658.9485462 573.913345 645.4622734 356.7592832 464.9837776 6371.14356 9097.090211 7151.370567 10535.20585 11646.38356 11630.05591 13378.03215 12947.66582 17390.697 11091.31609 7685.745637 7832.633441 5812.193627 5214.96497 651.1048603 6334.191268 464.2677457 9234.738815 Dihydro-5-fluorouracil 5923.91835 2436.524238 4736.111686 5017.183965 6138.604411 5178.267941 4330.325513 4418.974137 3289.282483 1741.802435 1553.824201 2192.597633 1956.022567 1999.01733 1553.679369 1295.806704 1401.360717 1065.445905 6762.21861 7991.15789 6362.263116 4676.448081 7656.378084 6312.05847 4916.613981 4011.677727 4562.90316 2029.99037 2092.73382 1615.695461 1642.961039 2369.682589 1216.893938 1209.288083 1018.933949 1661.737332 2835.940416 4196.011669 4045.595613 4440.750358 6172.905154 6757.170292 5301.052832 3437.609089 9195.459966 5903.365443 5025.544578 4618.278107 3893.49933 3537.572008 1463.2852 4788.341052 791.8998044 4123.134727 Cyanophos 195.9552888 70.10511861 4.07813e-08 264.3801224 151.6502435 51.96276473 293.5198394 100.5645261 221.7379799 166.6060459 1705.489497 188.9405335 194.8877716 257.5931441 131.4506924 1658.601228 2312.902004 183.1930536 107.4104975 121.6051105 57.34768581 307.6709602 4.07813e-08 170.1936306 126.1691867 163.9648171 135.606984 2197.355581 193.4414983 1527.12059 234.4449031 1568.28914 692.5169364 105.6520559 1760.768739 149.0414447 4.07813e-08 88.27459803 62.27238797 137.7701748 118.3216654 166.8340374 44.95356526 133.4430251 60.04033877 196.421812 181.0428966 4.07813e-08 246.2996809 208.7168304 33.70507378 292.8665271 395.2029309 168.1616165 Hydroxycyclohexane-carboxylic Acid 30537.49186 26725.3295 29282.08306 30164.89438 41626.84758 31761.33579 31255.06107 22541.20245 26170.27463 7464.814301 7031.175659 6217.364897 7678.342883 4866.93969 4534.213018 1931.239348 2062.97704 7708.515304 55607.33853 53595.35158 57170.82796 49952.10218 64007.49386 53615.72019 49706.88089 40911.05275 52126.61603 3844.401754 4796.827495 5810.357765 4485.15719 5642.29071 4647.992784 6844.636552 2967.457413 9561.855451 32186.71361 44130.27904 40024.12066 49061.38446 57339.67503 62156.63539 50264.99652 41945.07607 59360.25361 62245.85443 43911.89177 46655.79942 31385.88105 35612.29963 6713.377278 42444.84915 4933.692513 35390.5096 (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid 257.9526026 885.6659476 246.3792621 412.8321717 111.3662882 4.07813e-08 947.8544541 704.3808399 369.7835114 2646.750793 1043.637572 3296.184077 2008.911681 2667.615433 1977.773759 1008.189869 1054.845273 4413.345987 293.7266675 157.4401824 190.1790483 132.5051829 360.071272 77.25644924 356.9249491 362.6455946 165.5554357 2930.482684 4723.140064 1206.018118 3821.989871 4241.6641 3016.370884 4342.18191 2112.729118 2508.65546 2706.938322 278.1735074 97.57768491 193.0544402 188.8695696 251.2932527 92.86029445 210.0306032 1004.937839 4.07813e-08 143.3206692 368.5975468 976.0344695 1113.97344 4799.382482 541.552476 2018.111517 660.4634229 Minoxidil-O-glucuronide 1298.340382 2527.956655 933.0109296 1798.276265 1917.558215 1124.221507 2540.211648 1681.488495 1517.195795 5739.68987 4397.572882 2819.393591 5437.348853 2011.749364 4477.998516 1293.241788 3553.43202 2024.870885 3403.081804 3883.660772 4088.533759 2474.742718 3957.845292 1479.004147 3007.622153 1966.806562 2536.170964 3975.885033 4646.438387 2074.680721 2661.34945 1547.299683 2621.907035 5835.190603 1593.152448 2107.563358 1633.193275 2306.184542 1846.662675 3064.530515 3743.341005 5878.405759 1854.804433 1186.522558 4718.18669 1372.198994 2608.178139 2778.476125 1978.06751 4276.156129 4101.512994 2732.035896 3163.407686 1333.821583 Streptonigrin 4.07813e-08 115.5583601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21332.40994 18218.74274 12904.4817 18801.77835 10226.19547 17687.16112 7233.443979 7166.494897 6514.844314 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17702.39245 23292.9903 10702.55555 20869.83575 30004.71123 15157.27504 29330.04076 9619.815507 10992.9559 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 352.3810313 26526.97085 4.07813e-08 20831.05776 140.0348002 N-decanoyl-homoserine lactone 5840.623572 3227.203643 5216.812066 4051.360689 6531.808072 5199.045355 5522.966481 3813.235787 3096.119264 4.07813e-08 4.07813e-08 1.395906366 3.638842649 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5493.196907 8583.159611 3115.466418 6408.773586 10381.72474 8840.291307 7880.260626 7688.837047 10970.56742 4.07813e-08 4.844077491 4.07813e-08 5.545984978 4.07813e-08 1.715851674 7.744152632 4.07813e-08 4.07813e-08 3446.641905 5240.677599 1874.144196 5335.736024 7567.327502 7497.562686 8182.210074 7271.601605 8652.985303 5858.246048 4258.449493 3769.422074 2125.256459 1359.671676 4.07813e-08 2978.50943 4.07813e-08 5797.40187 Gentianamine 215.097522 912.1935714 243.8986912 367.1931916 216.4394925 406.4397663 719.9159491 632.6853621 686.0786312 1078.980155 1727.958711 2856.410657 1260.890707 5405.316052 1564.513829 983.4311207 985.5584009 3623.951431 447.6470302 404.9959451 539.3627886 672.9819063 181.4543805 532.2973849 491.5603372 267.7495414 392.3576404 1335.569109 3646.765448 3485.653355 3456.019074 8372.125579 3074.567721 2358.861015 2559.963842 4019.147917 304.6499565 207.6572438 157.7469737 256.3275167 597.5402814 566.7334508 320.7706229 311.091761 640.2950901 650.1146631 1033.365546 408.3423571 713.0707919 1531.082396 3109.48975 1290.533434 1643.576497 1871.977963 Enoxacin 7593.690225 3061.649209 5243.071249 4234.607099 6651.859882 5155.576795 5033.747824 6322.012447 5781.080851 2649.95368 2145.266107 372.8120941 3251.895142 343.0415323 1977.449674 234.8602644 966.5711728 1618.231532 10739.20304 11534.59329 7969.276568 9475.324424 10066.52776 10967.18187 11077.68357 10247.8128 11456.88663 625.1630327 786.2111817 880.6598579 380.9148414 1433.197834 270.8335483 608.7662422 173.0474697 678.227011 5685.732246 7918.642756 5766.397033 10146.59432 10205.00551 12292.47133 10314.00335 9067.79933 15908.348 6940.559101 6265.111038 6279.899678 4996.452071 4607.47098 1141.213898 6209.952184 929.9396427 6075.196688 5-Diazouracil 5370.642146 2532.158159 3510.699281 2896.498031 3740.436604 2223.351588 1836.786657 3125.753228 2187.811238 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4821.459836 5006.964425 4165.668666 5135.667634 5238.57279 1158.393557 4142.962281 5617.714427 2759.725574 4.07813e-08 4.99161767 13.3224881 6.806466077 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2687.932786 2992.00748 3172.943926 2435.423259 5665.15511 4093.681268 1227.358985 4355.37319 9644.435927 743.726295 1707.331834 2583.898073 3073.390517 1259.900713 4.07813e-08 2700.399185 4.07813e-08 1987.016418 7-Aminoflunitrazepam 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28.10896333 4.07813e-08 30029.20725 22572.22337 13829.17049 28807.95274 12284.01885 18252.2334 6335.745051 243.6128161 10381.19929 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12475.93822 15096.9618 7037.396147 10115.30649 7698.409926 21764.53554 19772.97471 2751.618607 10219.28952 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13457.61483 4.07813e-08 15121.83749 4.07813e-08 Dihydroclavaminic acid 366.4673661 5082.867852 215.496629 642.2532634 578.6472264 531.6544479 395.0634565 1438.292493 2613.926386 14119.19024 11549.42768 7669.241026 14075.45984 9795.17031 7201.110406 4378.58212 9423.174608 10083.32399 314.7777955 2.32274831 692.2342388 552.0646194 194.238024 177.1883163 4.07813e-08 1.172961682 503.9196472 4110.195336 10670.69222 7324.834492 5443.234387 13473.6713 9202.623272 3827.13171 2560.10867 6856.324911 1117.910773 339.563091 443.6442784 453.4642437 770.5396824 527.829671 71.41779253 4.07813e-08 360.712096 8.527962765 413.3842414 612.5370571 1372.681951 4016.910692 10006.54247 778.2291769 11510.83392 747.4848184 2-Hydroxy-4-imino-2,5-cyclohexadienone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3721.61397 5251.571259 6784.942866 2679.994854 7410.912124 5848.924693 2842.520523 5868.38843 5166.882228 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3239.671591 6191.598748 10349.33978 5665.836929 8296.479933 7022.260023 4529.261484 5369.794441 1620.949985 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4093.837734 4.07813e-08 3936.624922 4.07813e-08 Isovaleric acid 5837.740791 2671.970025 4855.0251260000005 5204.464724 5023.032653 5082.498404 5730.046746 4016.114973 3209.197509 33.71160703 177.3085203 108.3124647 207.5305685 296.4217342 189.9709611 48.24437698 34.37954021 314.4847468 7578.978315 6197.406602 6230.826721 6995.087337 8459.34266 7644.749089 5831.190214 4622.764002 6991.370639 4.07813e-08 75.78797651 151.4894369 52.67502204 49.85897409 76.5330021 180.3528677 162.9233397 109.1592874 4867.982208 5646.266776 4860.433241 6223.592252 7268.342303 6773.805697 7958.949306 4847.092085 7268.746073 6131.30754 4142.173617 5611.525162 3685.283204 3447.836565 175.2779942 4441.219318 33.2321723 6233.178851 3-Epihydroxymugineic acid 2068.939364 1823.447834 2327.937779 1170.254744 8895.037649 7780.815884 2034.391385 1167.777777 1050.675119 1307.925867 250.2716757 525.9270117 2226.897154 116.4276085 1623.662775 4.07813e-08 120.0492948 1172.260659 4492.603384 25212.35722 2736.635266 5170.809118 11310.23013 16348.27291 7224.808283 12145.85042 45158.53922 342.5690861 161.7010215 230.9071421 4.07813e-08 626.4987744 343.5224069 391.7278811 4.07813e-08 445.9907832 1018.716318 5075.826496 3439.083904 4027.335519 9938.481676 4903.513354 15818.39564 35820.59481 2806.314176 24629.98426 4415.09712 2333.980646 2570.784127 3382.304881 1536.159331 10289.82192 2454.996646 8414.71625 5-Hydroxykynurenamine 507.4376726 942.8544803 825.7507954 1964.502393 2179.779931 1067.246445 1771.295529 1135.531034 1071.539402 937.577958 919.3509319 948.3322028 982.6566745 499.9998004 785.2367733 551.2888024 359.8470269 1156.990745 2450.329644 2776.836804 2560.113448 2477.575519 2881.240807 2979.095386 2555.404467 3048.914732 2781.050013 951.6383443 898.5649199 1137.787234 995.8093083 1264.585101 784.4074786 999.6012437 322.0010568 1690.599855 1755.151431 1998.319194 1672.359017 2350.030417 2448.987563 2117.975984 2396.545878 3375.194609 4146.60565 1752.814473 1760.963475 2256.134465 1417.160916 1825.528591 1046.668358 1039.548496 1206.826217 1969.815498 4-Hydroxymethylphenylhydrazine 8736.228341 6560.871138 7794.41045 8196.426978 13326.81656 10672.72424 10558.79305 5980.64587 6157.391769 63.90971717 175.8735791 210.580005 414.1474274 128.3495325 153.2888637 4.07813e-08 87.60299418 193.2750672 11005.38465 11900.3796 10955.58953 8648.936872 16014.38496 12370.7088 11689.98614 9868.00136 13544.59455 118.3562803 168.7178267 426.8986522 134.8831103 162.3569265 240.750443 77.02457821 4.07813e-08 64.08169715 4314.278854 9257.260301 8349.747461 9908.325242 12160.55291 14000.01273 10831.41221 10596.73561 16827.78613 10139.51398 6863.55516 9498.751785 5791.2924 5765.670159 4.07813e-08 7904.749816 81.58993835 8179.865937 Fluprostenol Lactone Diol 1133.224282 2105.051167 861.8198999 1334.68994 312.147245 4.07813e-08 2805.972734 926.7895441 4.07813e-08 4.07813e-08 235.188359 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 362.9946276 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 713.5798082 22212.12303 4.07813e-08 4.07813e-08 3117.881634 22407.1481 4.07813e-08 399.9109107 4.07813e-08 128.6200248 121.8191393 292.2480571 634.2521614 4.07813e-08 77.89178596 4.07813e-08 34643.20051 378.5702234 4118.931026 4.07813e-08 4767.680758 1724.848973 4.07813e-08 5267.127325 19095.13247 4.07813e-08 4.07813e-08 299.7557674 1131.640917 3268.056144 92.46991493 4.07813e-08 1664.867543 4.07813e-08 Prothiocarb 2611.190313 1420.545385 1857.233538 2111.789111 2240.574117 2182.364528 1793.710185 4446.824465 3481.596557 800.2931269 656.8714874 806.360261 1200.676227 145.5911596 527.907657 168.7109452 432.9786275 2209.79088 7757.768486 5190.688886 5289.614558 3250.18954 5890.08623 5007.481209 3624.380577 4033.880293 5249.57459 1263.488791 821.8747838 160.6463963 464.0521945 1040.504439 883.4930309 1727.661055 460.7063394 546.6363216 2950.030438 2039.369536 3586.657652 4929.777453 5262.719113 5368.124848 4611.197247 4088.498664 6927.339585 1524.583173 2172.615468 3168.404693 2135.936034 2158.520837 829.6823677 2450.555168 164.8688638 2683.137109 Niaziminin A 54.10363432 1415.756962 38.55546315 9.578763863 171.8833792 429.7268304 192.0945538 2316.954307 37.77221014 4413.867755 11627.13457 4916.880653 5136.037032 35670.13913 14444.38499 8679.439355 16147.20467 44283.94536 302.0044151 215.5040906 49.57870148 84.56750626 62.21180381 71.21407502 177.7782203 75.24460726 106.0899523 4348.178167 8235.142602 11253.27684 16125.04462 37531.69517 11266.65916 6672.312384 2463.697099 50029.37464 33.3268702 55.94074819 171.1413603 30.32488891 167.2939889 89.37592456 61.27566601 59.22286557 390.4072199 32.23121074 43.7776198 47.03463458 6328.788068 3761.020282 51664.32474 822.645796 10592.01901 2370.356645 DIHYDROJASMONIC ACID, METHYL ESTER 58154.89977 50204.76397 49021.78422 48699.89909 55012.88103 58780.07359 58787.09106 33023.595 47699.84476 10224.96752 8842.32546 7658.352348 11420.84006 7869.980944 6189.016609 3699.869197 5149.453315 11478.92202 101890.242 101429.1919 91312.55416 91955.87488 120708.0115 99931.06584 94328.12571 54048.8062 60197.32408 5066.393955 8554.676802 6477.822476 6230.597605 8552.141387 6458.148634 7939.810239 5929.366531 9924.522684 60039.25952 90676.99035 74706.20006 69280.41642 98730.75068 118478.8036 99386.28352 53092.86714 83260.40019 92079.29066 68383.93295 87365.73591 49374.35783 51867.77742 10150.76096 84945.30067 7159.838931 53544.54544 (S)-Batatic acid 450.1644581 8557.303327 86.93725519 828.6305727 517.8752604 413.0719404 4435.612638 2074.269405 596.2586484 384.3257345 103.1867167 181.8121732 593.5613421 780.4230157 464.7552791 4.07813e-08 4.07813e-08 674.9306734 1617.255811 1525.781469 1875.209965 2832.148091 1117.274214 193.3503602 1499.481503 4.07813e-08 334.491445 195.0394236 467.4932943 4.07813e-08 224.8713366 577.5418016 809.9372167 266.8383841 97.38410731 116.9062952 4128.127711 784.3107716 505.8259956 826.0941002 1694.041314 1705.353971 504.5965227 216.3151653 749.3760085 512.7874198 1210.703306 1057.561608 3810.357673 4224.280681 888.1187225 2685.285981 253.8005263 974.0476889 N-(4-phenyl-3-oxo-tetranoyl)-homoserine lactone 1080.380625 1101.492934 2643.247184 2233.836544 2440.152696 1437.172091 1329.564545 2017.064111 1158.079073 4.07813e-08 4.07813e-08 51.08527709 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3856.050036 2720.110014 5215.663667 1976.799481 12096.96583 7779.72167 4935.444088 2382.34319 6416.602557 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 72.84117064 4.07813e-08 4.07813e-08 1371.533336 3643.97952 4679.694083 11567.00946 3338.353948 8449.709158 7306.695518 2692.019189 4903.267198 3038.745208 2116.839517 1984.828614 2377.800931 3457.477068 4.07813e-08 1654.04307 71.34647876 5743.639429 Flunarizine 78.30215504 6.071609287 276.5830662 9.987163167 352.360172 7.860491598 3604.8166 148.7762493 224.405238 2868.151701 7437.451651 2635.097358 2074.186917 1276.679084 2847.511511 7597.338811 4311.182587 4.07813e-08 2284.192293 1953.020837 2051.546828 553.6471536 1619.367515 1996.020983 1645.458831 1636.942662 1569.113122 2649.368431 531.2438381 12120.67402 227.7083183 4405.555543 3424.714998 3202.851034 3662.481939 4642.713286 43.43759758 228.1780285 843.0572477 1956.616753 2519.765279 2012.080273 1259.174068 1975.125268 3083.434709 4.07813e-08 417.1974684 300.7087793 466.5393366 299.2450614 133211.9113 394.3498471 159192.2639 12538.15167 2,3-Butanediol glucoside 1180.105014 8073.609205 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3943.056247 4471.650931 53478.82054 130160.4997 120813.717 50022.55234 171722.9541 151384.3875 113116.613 273876.7971 232513.5181 4.07813e-08 4.07813e-08 8.36769662 4.07813e-08 64.78439755 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 151464.8578 238475.2257 283249.4576 152370.7389 374631.7103 178306.587 210396.5129 204676.1367 259424.1253 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2649.712988 1821.731087 10453.60949 1466.220016 203437.1933 1012.78964 80065.57498 2227.750934 VIOLASTYRENE 4099.543761 4199.323818 5675.465116 5949.474625 8114.439245 7803.386431 4872.088681 6736.404865 3841.367826 1835.048897 1138.344394 1044.264526 2312.047963 621.7005118 6392.410574 180.0373437 1002.282 446.3658953 11248.04136 10929.99426 11295.03071 7431.120318 9783.109349 11482.96193 7746.031145 10815.93508 11837.73582 1372.514683 2022.804445 1341.886268 969.3682275 2987.907938 1868.245369 2879.616438 1320.286368 572.0588303 2549.977466 7319.667483 6185.784851 7972.856504 10296.52355 8228.319247 11633.10501 10625.05889 13882.17379 8077.335445 5050.250588 6288.503389 4110.417356 3243.337625 4737.101611 4753.163022 2193.89633 4868.606104 Fluometuron 4.07813e-08 3478.87848 4.07813e-08 4.07813e-08 127.384979 4.07813e-08 142.5420577 4.07813e-08 4.07813e-08 1057.673096 2379.785993 7829.879764 1115.054557 974.8337244 4687.930548 2789.214727 22170.14488 238.5417731 399.9672556 313.7749886 233.2560678 376.8451817 392.4083062 246.6153186 114.8866777 4.07813e-08 244.6418524 4634.899355 6738.546621 21516.24047 3454.705929 5461.325311 5444.615944 11021.60878 10594.79643 401.8926152 249.783759 183.0155207 4.07813e-08 4.07813e-08 129.2648517 843.9571051 4.07813e-08 179.4944457 332.9438413 132.641256 123.59398 4.07813e-08 427.2538456 4.07813e-08 15417.3031 820.3812901 6267.138645 4.07813e-08 p-Coumaroylputrescine 4.07813e-08 870.0105843 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.53547615 4.07813e-08 2464.713015 3098.208232 5306.150214 2815.084428 1257.348394 1183.751638 5972.88414 4027.593562 2745.493276 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.209680949 0.538609795 7.255818039 0.513131906 11616.49574 7129.22789 7683.31053 4721.595658 6066.552736 4791.579271 6321.768465 11186.49362 8483.93492 796.7809291 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.248677658 4.07813e-08 4.07813e-08 4.07813e-08 0.027522793 478.2136211 1831.702601 8234.650363 445.316382 2942.943124 191.1158212 Aspidospermatine 1000.478107 790.6102527 1592.534638 4589.95042 122.4652682 1850.998216 852.8465287 571.8962534 56.80937738 9.530050032 7.882006275 10.56472041 15.34485958 2.582017167 8.504174807 0.167000111 0.765486603 3.697938501 210.9432062 285.2222493 67.85814377 7160.302322 50.57305605 179.987332 1537.090719 177.6564014 133.279709 5.934629028 0.188956292 4.07813e-08 3.234736659 22.24217887 12.87523172 17.38873581 0.308711443 2.149909828 37498.23204 168.0684826 1489.197616 103.7693706 100.1328293 182.5115069 103.8861274 97.66570423 705.0932827 67.35041862 68.3072236 195.813613 870.5626711 3711.691245 13.36204911 345.0447906 3.575417126 91.27071845 Methyl (Z)-3-hexenoate 4381.575611 3391.086414 3556.153152 4636.321686 4686.376081 5276.560603 4552.672702 2907.450109 3217.747368 509.0502273 49.74612673 250.7871232 1027.674001 164.0168242 197.3387665 163.7351091 4.07813e-08 955.0427764 5731.73796 5500.390575 4180.062793 4641.975751 4367.391885 5961.522246 4519.951549 2992.806543 3360.750766 4.07813e-08 403.481779 149.5924019 491.6823075 384.9794633 356.0248443 262.9778325 810.5185494 686.9000429 4554.122829 4686.748946 4404.094924 3317.958191 3958.228191 5381.700406 5999.83324 3169.916832 3113.999913 4250.250326 4521.557489 5802.119895 3426.97488 3061.532093 84.12271997 4619.225322 4.07813e-08 4315.219109 Ancymidol 1099.905104 410.0817437 4.07813e-08 203.7728378 245.9424844 446.845398 922.020333 846.2380079 4.07813e-08 2391.957527 4722.073652 604.1627119 2047.848847 1380.120203 2403.757246 1516.662623 4.07813e-08 6163.800317 4.07813e-08 77.27123847 49.78489234 666.9114113 131.5859967 4.07813e-08 4.07813e-08 4.07813e-08 81.45197973 4.07813e-08 835.4987175 2713.951656 1308.775007 3900.934383 311.7459788 1233.884856 4.07813e-08 2145.491344 319.0658347 65.62854927 4.07813e-08 57.39457184 164.5949014 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 177.4517276 4.07813e-08 1126.743969 124.7558036 3968.309821 4.07813e-08 N-(3-oxo-dodecanoyl)-homoserine thiolactone 1173.314928 2351.888426 1161.782868 1348.546622 762.5216782 339.5667551 490.9599832 4.07813e-08 4778.203725 2978.828826 7133.380022 5137.490761 3470.854444 3766.713379 4225.110106 6971.778619 6350.188824 4.07813e-08 1490.716518 1226.791393 582.0877627 104.0610628 950.8151643 487.1793373 281.6434621 178.5942932 401.5288646 2380.59187 9364.59758 10109.62853 11219.01564 15600.06647 7288.697626 9637.042088 1938.538506 108.6458679 1551.119808 595.2218639 265.2618651 584.3072229 468.0096204 1656.780845 590.9785392 327.0787669 458.2264743 222.0923998 830.6810621 679.1599666 5559.696537 2671.204532 8839.894015 688.827738 1674.067516 4.07813e-08 Tertatolol 1029.33532 331.7396834 369.9925313 455.6204824 1119.598477 509.6808069 865.9478811 222.8992471 127.9833334 4552.227801 1722.325042 4642.218711 4482.26525 2439.326894 940.1833264 885.309339 5015.992767 5674.747066 1528.420296 1387.974256 1104.954661 1164.48584 2284.416242 1306.229777 531.1220274 322.368646 219.3936866 10483.38891 11315.3497 6542.787461 17822.36847 4622.576902 7201.516269 11852.01053 10574.45863 5962.656258 1099.982484 724.3693828 1139.087935 862.9254555 1130.999651 2030.968953 976.5325572 467.8700436 512.9548526 649.6704688 96.13762775 1035.326623 773.450174 698.9242836 7869.745108 391.4450382 8196.505573 362.2848815 4-Hydroxypenbutolol glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 672.563466 4.07813e-08 4.07813e-08 4.07813e-08 19531.25727 2380.27995 233.8665324 27481.77112 276.8624721 108041.6354 11498.75933 3936.468851 6973.759964 100424.4707 74.77345388 883.7953004 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1313.221015 197.5550119 143.4323889 7447.284889 671.6216353 45.89445271 987.1149758 1874.461736 121.024728 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88.99313344 4.07813e-08 127.6588598 4.07813e-08 4.07813e-08 64.91445586 3500.310205 4.07813e-08 352.4227723 4.07813e-08 2314.683328 4.07813e-08 4.07813e-08 4.07813e-08 Methyl 2E-hexenoate 7296.391401 3163.883938 4771.250566 3656.483241 3306.783828 6609.955749 5192.005689 1667.935786 2865.532034 906.481419 536.8229316 918.3450529 1059.354086 1053.615812 534.7312532 685.9385447 55.46679089 357.1282275 3855.724838 3465.793155 2027.131675 2771.423309 3079.013397 4630.304289 2835.953074 872.7700251 598.632194 115.0993095 955.5101397 667.7680459 281.7179145 473.2374395 212.237506 1212.924686 4.07813e-08 1255.725522 3729.844109 4286.727701 3339.260156 1757.215421 2722.381504 3427.535039 4163.081305 1499.27422 966.5308703 2496.613797 3691.823811 3707.607914 2368.473553 2019.822323 470.7762597 3782.581377 446.6669324 3434.403579 Deoxycholic acid glycine conjugate 346.8596579 150.7076979 442.0778532 347.7634534 136.0247169 560.8943017 496.5409375 553.6044198 295.1472414 638.8768259 22.66078382 12035.33392 633.113388 61617.66987 32830.50475 12186.68037 23566.05073 23984.73736 146.5775562 223.0784833 181.70789 366.2773584 412.3431511 558.5258523 251.4684565 21.95191107 428.3755061 7764.280256 1318.686771 4.07813e-08 3380.196197 713.1170951 333.942979 995.3850436 8425.034737 434.4519699 86.27107828 41.17500374 40.41976522 461.5662856 367.4018467 248.1150416 199.2373096 4.07813e-08 307.8694395 733.0885216 591.3775996 207.800838 1939.296868 18.91314276 4925.924192 4.07813e-08 368.1488839 77.3656598 6-Hydroxymelatonin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3248.310168 4.07813e-08 4.07813e-08 1038.708327 1236.25661 9132.052491 95212.0964 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3589.509734 4.07813e-08 13248.26744 4.07813e-08 34853.20119 5638.458681 4.07813e-08 7958.184254 5774.896547 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.552600978 4.07813e-08 5693.240786 4.07813e-08 7763.347764 4.07813e-08 Diisopropyl adipate 371164.4157 248552.4886 338246.2624 125305.8249 390258.2766 633568.6907 548286.3889 329904.4589 227076.0634 5411.811629 4154.760019 3789.42477 4441.373596 3921.600077 2510.414997 3654.099072 2328.572661 4272.596022 195647.1795 575645.8022 366505.142 300291.3259 307874.2559 339264.0941 314149.8878 268620.3102 417983.9751 3235.60933 3941.649634 3775.029153 5025.692073 3594.052513 3360.528991 4073.599572 4130.009111 3798.761451 83708.5282 379805.33 217829.9191 410490.6405 367578.9093 207512.2968 368737.8126 304768.901 89431.25633 643250.0713 483882.7383 491883.8303 230535.5714 139765.2821 2681.047562 311544.8466 4038.875767 191926.5234 Cuminaldehyde 56879.56018 53226.45559 55283.29938 53617.09542 55605.44657 51280.75383 52224.1778 52625.69086 54185.66525 42617.88559 39301.19606 41808.82655 40009.98521 51723.74124 41410.81534 51915.95745 43457.09842 50563.32833 39482.81895 42058.70074 38098.1726 41764.61628 40830.50879 40406.10975 41314.204 45606.8505 42997.38312 41022.81594 44567.65299 43500.24498 54024.19716 42814.10338 42019.71517 40713.83587 46780.28122 52749.89615 47258.69185 43622.8844 43701.46343 39185.54451 38792.65097 39616.04589 43260.69769 46282.30317 45897.61526 49493.56804 46667.30285 43241.59807 45867.07303 44295.67456 36228.37561 44417.51766 47207.05537 52356.2605 Rilmenidine 5828.956977 735.3101775 4.07813e-08 1937.489396 6799.732899 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2859.674126 4.07813e-08 314.1714371 1616.780446 30602.9132 2146.228992 725.4734534 2133.369505 590.2293868 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2438.152605 1613.87757 155.7136952 3268.048822 2514.919098 12770.49471 5365.583583 1182.736598 18709.28621 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 424.3568213 4.07813e-08 209.3853766 4.07813e-08 467.5689371 cis-3-Hexenyl trans-4-hexenoate 4.07813e-08 4.07813e-08 843.9229262 4.07813e-08 4.07813e-08 2447.334045 1045.680893 998.8128678 782.6311269 149.3268251 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 370.0560352 2548.385845 1796.753982 1504.931846 1324.639444 2630.026488 942.4109406 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 363.2385902 242.9065359 640.2093016 807.6734461 2011.380619 612.8795537 1720.800979 4.07813e-08 143.9221821 4279.799748 1748.645008 2358.434131 372.0299181 833.2329263 4.07813e-08 1653.424191 4.07813e-08 843.6498806 Deoxycytosine 11046.90165 13445.17138 8785.301158 9302.662863 17191.88945 13271.53205 24923.76407 17264.54312 8631.209382 1333.914877 5205.362843 518.7250128 1351.159441 894.9682832 4.07813e-08 6938.268026 8569.259144 2095.502282 287.645974 596.0826018 922.8978969 1539.561662 1582.136447 216.0406547 1690.312731 228.3044776 1537.440513 3925.88683 4.07813e-08 1804.009632 4.07813e-08 8961.196224 3037.82165 4.07813e-08 4876.998924 3662.204472 4116.329222 1082.171134 2713.778422 677.8376576000001 1523.733492 1187.158819 180.775911 280.7614323 805.711823 718.1916636 240.2417464 665.9746142 6303.264828 8797.031612 830.7438032 4905.761938 1580.951107 8277.472339 N-Formyl-L-glutamic acid 25403.79402 29897.35407 24569.8622 39939.08508 18900.41516 20895.80031 17290.3111 23897.71777 18333.58481 56909.45282 39363.17102 42445.85499 50640.94511 57513.9752 31115.51352 21871.54151 24061.62108 53237.55057 19889.31445 16786.75354 31155.46572 34490.72245 16192.24355 16336.74639 19607.23779 44017.50779 19174.82633 23912.05428 51404.64608 68954.26541 43515.32752 54873.33815 32681.7351 38211.02763 53881.4486 50674.79287 25317.33538 30679.87751 34900.44757 25058.95535 22487.84687 19427.58026 16090.49973 42674.49313 15069.95881 14016.50935 13245.96382 16272.69222 15238.749 24412.58865 50285.35796 9305.688767 52747.45501 29570.61518 PPM-18 336092.3871 538311.4632 298987.2981 373061.416 395535.1818 272381.3081 547621.413 640650.5051 533156.351 8559.956884 8312.188525 9716.968243 7238.576732 5815.146392 4741.253178 5892.857234 7024.930904 11932.4144 149423.6286 112419.8602 133604.7517 121694.7538 130504.8639 143245.0581 180668.1152 64517.21851 145262.8547 3719.083812 6964.069726 24479.75447 16855.93991 28307.00337 5726.641114 3933.490537 9844.114513 12603.22881 247418.2942 234400.9052 266438.6236 175632.583 173538.7336 160306.7545 169357.5577 117798.2588 66770.726 271132.0027 277169.2423 244601.749 415812.0049 280773.6459 10110.79162 358736.8306 6474.627442 289096.2065 Flumazenil 6632.602276 10110.93211 9132.190907 9654.442102 4534.510514 7292.970288 11390.09195 11810.07311 12799.42717 74477.4619 75711.62485 81270.43289 78319.68341 89857.91194 43678.74878 48909.08747 18554.23975 78011.05268 1623.206824 4.07813e-08 3554.370328 4256.638818 681.5992682 1224.900209 1048.808993 1718.211955 2379.319247 39059.38521 57561.45752 81365.29159 40650.77018 66797.86104 77952.74306 44641.2937 47254.49343 74522.02377 5030.212753 6659.049337 3309.72136 4469.929806 1957.590825 1076.441843 402.226767 4293.31354 1677.052114 2234.50515 670.611669 2148.627377 4792.064168 4716.180648 70492.55865 3186.554134 51211.22313 6790.4227 5-Chrysenecarboxylate 1162.976549 4.07813e-08 795.2380124 361.214181 227.4570407 1493.577225 1188.924708 669.6776025 692.1974633 3.645849089 11.51855341 25.64616409 4.07813e-08 19.31730801 19.85986439 35.22372397 11.30440636 181.5658704 9267.298099 4730.275109 5587.375194 6587.92207 6982.013018 8887.956703 8140.495539 9802.750499 8382.742598 1093.193829 848.3561909 101.7090431 936.2140451 1933.598148 666.5841189 23.81578672 0.37210864 230.0796353 5546.420382 5637.843875 7169.036957 5407.042184 5766.775222 8090.364973 8903.636219 10766.82261 8745.86327 5797.653143 5314.756702 6422.473763 6193.528338 2711.964299 1631.19997 6311.459072 2060.354113 5941.57946 Ciceritol 502.1091759 1660.102512 450.7332309 927.0276944 944.2100354 3094.113202 2174.64977 1201.072379 217.0415327 2359.591959 3403.488755 3313.431939 3180.2763 4089.665796 1909.747641 3531.749955 2102.653213 1400.404677 346.8142016 1143.499129 436.513259 134.8373676 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 627.6144845 991.3460431 3040.189514 3511.599805 3696.056942 2934.15262 2427.352867 2143.820494 1951.51207 4242.972311 2810.711502 842.9329279 1162.691707 823.259115 4.07813e-08 728.3715289 4.07813e-08 4.07813e-08 713.61102 4.07813e-08 450.6245014 1863.596733 566.5839534 918.4110744 1527.529744 4.07813e-08 2575.21066 1702.355231 QUINAMIDE ISOPROPYLIDENE 2733.576734 2431.824096 1478.030552 3889.906804 2808.055707 2436.163795 2720.783304 1653.459068 1824.189358 3681.972257 1831.660749 2171.943003 1875.422244 755.2658696 1117.903788 1494.906965 1827.833231 2091.425094 3378.294185 2566.202274 2673.060431 3336.731611 6079.928318 3627.947131 4154.123951 3216.944826 3761.486474 5277.094095 3647.96546 2101.282027 2905.573435 912.287809 1898.465629 3273.984481 1612.65341 2118.164343 5393.420917 1734.725317 1779.206784 2999.111982 2893.405224 6636.917296 4214.271499 3243.899036 2826.036993 4152.826273 3100.231312 2356.630509 2507.326047 3282.400047 2206.501763 1275.458227 908.1045931 4600.686646 Acrylamide-acrylic acid resin 1965.098031 2682.826398 2320.307132 1956.788413 2351.854408 1654.927432 2705.005426 2524.140297 3313.422866 685.6483056 599.8664969 456.260073 461.1470572 290.9717636 314.9661862 148.1795032 379.29525 681.6882381 2620.07769 2854.150438 2436.605159 2276.01216 3923.505157 2621.866458 2305.440542 2573.2776 2975.578353 354.3338388 411.6211537 402.5498342 6.426873872 491.9063998 556.1700274 326.6055881 254.3590465 386.1323473 1315.990384 2616.434888 1874.615382 2027.249989 2526.587247 3310.212759 2765.512331 3358.091918 3392.192688 2007.855424 1943.642944 1668.109264 2175.855358 1940.300712 672.2391629 1411.200292 728.8968437 2136.710659 Caffeine 4.07813e-08 1212.510113 4.07813e-08 102.2474212 475.4229331 142.6262887 448.2713697 316.5243796 648.4852419 11239.32667 10908.31096 10041.52205 12943.9127 7195.452876 9113.061442 6276.612949 4734.250852 7399.824804 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 67.61183918 115.0662322 4.07813e-08 7686.784608 10327.73975 7431.063421 6754.535758 7467.765665 7462.129761 9325.867427 4635.232909 8683.41156 179.6098174 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13.40018004 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 105.3607311 4.07813e-08 327.6524176 1875.004736 9273.989925 105.1353912 7600.450431 4.07813e-08 Leonurine 874.7019194 717.49832 258.9303281 355.7636592 513.0011685 755.2266535 846.2133163 376.2550012 368.3811204 3639.527007 2663.805973 2285.423862 3665.587536 1368.148546 2475.004555 881.2055092 1519.054724 2902.489393 2810.448947 4483.231261 1913.888905 1541.831677 2357.707234 2553.262839 2287.653491 2728.599681 2312.153081 2711.746218 3001.54556 857.6695158 1819.007952 1685.254999 2299.42186 3988.216671 1084.485196 1516.7657 1091.170759 1854.524721 817.4064856 1856.209487 2208.849663 2590.927311 2193.673538 2083.378558 3289.633773 2069.57224 1563.821797 1567.341382 1410.834965 1933.438472 3390.461814 1383.064817 2714.699329 1207.362744 Acetaminophen glucuronide 63.75463032 193.7822977 4.07813e-08 16.06388177 4.07813e-08 129.0445496 111.5900265 186.7051968 162.6960396 10996.73933 5056.144305 19675.54862 11692.57351 10034.99778 10467.72745 6662.853865 5383.735201 3644.079886 20.58841502 23.89851564 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14191.34131 9898.450433 14626.8435 9647.32113 10212.18516 20711.3945 16024.53755 16547.90774 20378.25335 4.07813e-08 4.07813e-08 11.47305479 24.52724631 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.000700216 4.07813e-08 84.96200625 244.0019801 14255.91174 18.94719896 10803.6123 4.07813e-08 {[(2E)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid 939.9334153 1007.962215 1152.730491 1151.56954 805.4215049 1180.859284 1248.697227 1059.901321 740.5909973 44.8506498 104.9399606 50.15732624 153.4741386 123.7362765 218.2938585 4.07813e-08 78.24220056 298.8285606 4172.436009 4439.231013 3700.584243 4035.947103 4818.056658 4410.205984 4286.158308 4058.472866 4433.699676 287.5989907 121.2926409 4.07813e-08 135.1695076 264.3833156 164.9541725 282.2728299 4.07813e-08 223.3737017 2434.705257 3062.930678 2621.163368 3622.084764 4171.402863 4071.090711 3417.773851 3626.821978 4720.563924 3712.948283 3156.908481 2948.401301 3317.639076 2868.100414 347.1038866 3537.33653 4.07813e-08 3485.855792 5-L-Glutamyl-L-alanine 571.457352 243.2731186 366.3588313 449.3158431 296.2432992 198.0814796 537.840949 269.5509515 271.9467537 26.1930107 28.17023983 33.32724641 28.00480281 4.07813e-08 60.71201752 4.07813e-08 4.07813e-08 47.65823008 909.9625018 848.9603602 1039.269107 553.2743538 814.6882882 711.9224874 797.9606806 819.3041919 606.7957788 22.51204616 67.16040224 4.07813e-08 4.07813e-08 63.27428054 28.14646798 156.7030545 4.07813e-08 4.07813e-08 324.6024231 521.14229 491.531505 620.0636956 687.4492487 672.8642362 837.5237243 685.6250248 1212.508031 473.2730362 282.0679448 459.0210665 162.5883523 453.0958859 96.26795855 366.2175867 30.64225472 530.6510897 Temurin 4.07813e-08 344.3438366 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 374.3218605 60341.1937 40256.39338 22758.00644 62851.22977 15242.32119 21579.07363 15076.1643 16051.00242 36014.30268 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31672.57776 31428.33642 17808.00158 15615.79166 24765.16339 14986.38838 25622.14473 11965.75322 22647.82265 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.024703821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 844.8694539 22327.51396 4.07813e-08 26901.32236 4.07813e-08 Ethyl (4Z)-4,7-octadienoate 7358.719448 524.7829409 3008.740504 1894.591094 1129.615956 9198.942248 2371.156992 817.9530608 2804.01049 4.07813e-08 195.1342612 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 217.3748724 86.77562661 4.07813e-08 7803.084812 3898.721349 3569.881631 4516.451931 4928.085336 12589.57922 3831.525162 2138.083452 3122.046712 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 940.621337 4.07813e-08 4.07813e-08 2203.141752 1331.001395 7307.17766 3154.925256 4232.264102 2297.698822 7806.485476 3839.412349 14299.66494 1644.201148 1255.628796 3167.87236 5637.288959 4412.933836 2685.12823 244.3539205 255.2447969 3775.691947 1167.595382 3770.717497 2-C-Methyl-D-erythritol 2,4-cyclodiphosphate 137089.1264 128450.4088 133955.4931 134157.6131 140033.5725 127697.668 128804.9736 126940.6802 132144.0357 101265.7039 92120.28701 99895.35436 99308.25171 113249.8974 93548.28158 124798.3725 92249.08726 116200.3661 95221.05408 97293.90739 91038.56205 103708.9053 103034.0427 100686.8779 103872.1201 114332.7475 105405.2192 92748.1226 108738.8403 104543.7374 124469.819 95221.07083 97304.39158 97952.32061 110990.3846 123087.0993 114126.0916 101736.189 105950.5702 94334.94676 97519.29982 101709.9592 106272.2643 114102.6884 116623.378 116867.2807 114216.7849 102559.4883 108031.1725 105835.4725 85362.14176 104416.8458 110602.1426 125292.1458 3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestane-24-one 4.07813e-08 3651.581958 14955.08839 8574.654841 1139.588475 19332.16324 11951.48719 3952.832097 20085.06932 1479.893213 4.07813e-08 18073.93436 1915.590111 2296.012948 15007.0847 2852.656182 301.5449199 5753.838863 63501.34061 41712.16755 31109.49917 25137.2137 23508.62618 52341.54344 27149.12811 11413.45795 7519.307338 4.07813e-08 9178.072318 2456.095996 18108.36979 961.1075757 225.3290658 24167.23242 4.07813e-08 1270.449902 6445.762426 39484.45725 23426.5929 7832.338635 36314.90137 7331.59878 33591.58566 8199.752998 2859.310389 85591.44562 118192.0658 78236.09855 3597.843509 1490.283563 8725.399725 66389.9576 4094.728872 20667.49882 Compactin diol lactone 37944.58964 27985.75869 32138.9888 26670.57234 18621.71104 38812.17501 42295.57361 34901.14832 52157.04807 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 75712.81986 67360.01513 37425.21438 28781.20473 46948.5868 85140.49364 33921.90591 57571.85878 55773.92385 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15199.16464 50737.01312 35138.41204 36916.51775 37026.51085 33934.1903 80908.11484 55955.03495 63847.29858 52101.85083 38338.99632 47927.36399 19898.85261 10248.20467 4.07813e-08 33497.74879 4.07813e-08 40043.7233 Capric acid 3678.230973 4043.717878 7822.02096 14213.94431 9698.655064 5163.616577 2405.091047 1674.070769 2003.33086 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2873.347982 2676.619389 3037.603633 3463.742498 2936.356033 3360.44225 1317.743066 2183.97695 2031.937351 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1449.498118 3266.610124 1838.431787 2991.617839 4386.701206 1876.148566 3707.3377 895.1115684 2861.014863 197.3936614 4.07813e-08 1353.606137 1342.974804 1733.541691 4.07813e-08 1708.876756 4.07813e-08 2120.27343 PG(O-16:0/20:2(11Z,14Z)) 1085.629724 20571.31955 85895.38122 50723.84549 43712.83484 156123.2577 89840.88468 88828.32231 85618.85996 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 183372.6215 130963.2059 121189.5104 62729.91535 60421.07657 65468.54173 64249.14501 43073.67418 3285.11865 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 77435.06027 10105.32438 65278.23473 38058.80197 79984.30977 39178.419 47991.44607 23490.93292 1087.998126 438346.2445 311390.2581 199271.0861 71155.54065 26148.99255 4.07813e-08 163989.7642 4.07813e-08 85928.25474 LysoPE(18:2(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 134211.1801 97928.11293 19068.2344 67026.61296 24989.15469 25729.9652 97294.62336 489254.3116 57660.89638 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85625.0045 24030.5926 68530.69196 100430.3073 27430.85232 42122.61449 12147.55226 155114.5212 102676.2022 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2295.238295 4.07813e-08 36952.03872 4.07813e-08 6-Hydroxy-1H-indole-3-acetamide 93.36889718 271.6762651 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 129.3879997 133.41508 313.7246578 963.2205788 399.0528406 954.8558398 1262.032023 704.8015311 1657.264667 1184.800681 5773.868835 1624.610537 4.07813e-08 4.07813e-08 4.07813e-08 68.27925345 4.07813e-08 67.54792626 122.0794865 4.07813e-08 4.07813e-08 4532.937112 1817.607091 845.3406851 2193.899795 800.8076221 2993.04096 3784.033895 5919.666965 1179.786391 641.2610326 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.7200765 4.07813e-08 53.97273445 65.36483981 57.16628608 55.68904097 232.9686679 925.8518606 165.314367 1335.027971 4.07813e-08 Dopamine 3-O-sulfate 22547.49014 26759.90118 30110.23568 45672.36788 41880.61158 33158.85575 31035.04633 18000.74839 19400.87977 14179.50464 13877.71378 25536.60663 13805.93152 20806.17829 16657.26087 13438.36377 4891.576702 9389.340451 51687.05417 44260.49161 46672.11372 47971.78139 43854.68068 40512.97741 48299.51286 57440.68807 47929.09414 21124.08193 23068.59968 15392.53134 16784.13635 25181.0584 23975.69395 27768.48087 10815.93488 15562.85271 45824.9853 45414.88812 44117.87054 49152.67368 48992.23263 45460.60652 36338.11894 55992.74002 82085.46335 27907.50619 24520.14715 30548.24165 36138.62903 37390.17273 23296.70731 36196.74196 20772.43321 35325.6613 Vinyl-L-NIO 16813.8546 20900.47326 11707.97427 15197.56396 6122.402305 11663.15841 17820.21147 23003.60114 19470.27229 5127.369505 4863.87539 3936.427104 5311.295163 2406.928315 5104.36522 3434.836031 3612.944867 3790.635151 3715.700638 4038.444386 6849.394359 1960.598713 4070.597919 3687.186728 3909.567664 3223.209885 4000.394543 3456.152427 3348.162159 2150.274584 3366.867556 3006.832116 3360.765976 4440.079082 3077.258802 3225.737612 5267.60474 5709.751905 7465.308349 6475.436989 2740.014474 2888.786858 3168.854481 2688.495962 2448.6317 2997.909188 9499.961769 4719.315134 10141.56882 12980.85513 2885.997498 4688.899758 4213.268476 4612.842033 2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one 781.171772 572.2250924 1142.71474 554.7860472 956.6717188 876.947293 982.9087394 838.773789 634.7502037 318.9571061 66.22228569 96.6549184 327.9365817 55.96577595 231.2495398 4.07813e-08 4.07813e-08 180.075126 2385.592044 2311.298427 1935.17851 2004.477467 2360.586242 2555.333971 1977.728623 2331.969746 2385.916541 173.6270969 259.9860882 68.79233747 41.30119622 210.7617291 4.07813e-08 266.13302 4.07813e-08 53.85183725 1254.219886 1600.75125 1230.930109 1805.306051 1854.364728 2229.651109 2148.429827 1922.339055 2905.091412 1564.264237 1438.319401 1540.219073 1024.311176 1113.019898 256.5957427 1067.931479 112.22995 1596.461466 3,4-Dihydroxyphenyl ethanol 1342.885862 1565.333868 1319.455395 1570.943276 2138.815496 1510.98638 1856.841576 1660.129946 1157.417272 1356.417032 1133.320937 1325.177333 1518.053263 1165.280703 1034.874305 681.3834182 664.7808998 1162.061783 2212.238474 2156.60353 2511.847001 2235.629323 3686.44411 1785.887781 1849.829193 2685.228136 1844.236623 981.264108 824.5807583 1034.166465 1220.295816 1049.168534 1237.061061 1496.789956 854.3448132 1700.238121 2287.773956 2396.016477 1849.058749 2023.580921 2448.685918 3451.29663 1657.820402 2525.237984 2739.808391 1609.396659 1336.873054 1798.47923 1652.245199 2971.248936 1227.560951 1433.407429 1366.325899 1887.096143 methyl 2-benzamidoacetate 1370.194121 696.5349577 432.4103857 683.8588713 966.6603226 748.9589667 801.8982977 885.1087669 653.7909724 644.2126917 360.0771845 267.6629658 651.4620709 4.07813e-08 317.3261023 38.77457684 88.3543861 504.4043949 1257.676466 1229.453225 1423.631116 954.6575931 1704.629146 1667.859717 1205.072583 1312.392559 1602.17647 474.4169142 486.1399563 141.9725806 129.9119708 782.4560827 596.140491 655.6650778 234.930273 77.39037535 554.1061652 853.7381618 670.3917343 1152.465029 1113.32832 1584.399296 1822.171973 1142.222296 1814.048719 1410.476492 635.399775 774.5421887 901.566408 889.5680984 999.0443403 665.6734941 531.7943358 1103.800381 5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate 4.07813e-08 272.4495473 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 77.09525589 4.07813e-08 4687.179006 4330.500378 2946.392441 4073.510153 4456.668272 2410.250883 2784.399716 2674.28411 1781.293849 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1154.937186 3339.634736 2740.185023 1725.139194 2171.540331 3040.976183 4500.910039 2073.14041 1021.013845 4.07813e-08 4.07813e-08 6.890474408 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 170.3201524 4.07813e-08 1039.775592 91.86899564 3221.452527 169.7165207 Salicyluric acid 3847.691831 3436.081637 3206.426581 3026.17679 2928.120067 3466.609592 4417.971647 3034.701261 2663.591507 755.0831466 643.8299175 610.6192835 783.7638504 561.2707114 510.3551264 347.3199044 229.8061795 410.7046598 4855.299408 4892.240515 4642.074682 4784.749135 6386.608065 4913.040946 4994.659748 6408.7038 6050.757463 578.8340896 661.0817723 355.636664 662.5049764 770.3757531 460.2007206 715.2714503 459.6193973 572.6589588 3712.767867 4719.83563 4151.293808 4311.556859 4727.238208 5266.993424 4944.567144 6074.055796 7013.661649 4129.394679 3579.608164 3791.291795 3729.522063 3599.887893 713.3854187 3764.709788 598.4380214 4937.986131 N6-Carbamoyl-L-threonyladenosine 97.87191649 354.1031045 4.07813e-08 4.07813e-08 101.2448885 4.07813e-08 0.09745782 89.14362567 4.07813e-08 11885.74396 8587.437651 276.3818309 13813.17316 283.5678415 3405.549779 1808.353039 964.1958281 1522.334953 267.7294436 4.07813e-08 171.6446997 102.0501963 230.5871121 574.5893856 428.5668358 4.07813e-08 82.25310305 374.7570996 4414.173197 1457.944945 1969.710194 298.2083117 721.5066606 21712.08056 677.7580885 6682.969456 1782.471806 339.3881828 234.0788625 707.2732905 79.4325087 4.07813e-08 857.6472719 4.07813e-08 67.70702253 4.07813e-08 4.07813e-08 201.4262014 320.1088175 758.4590073 1678.859506 241.1812183 7454.856551 4.07813e-08 Methylsyringin 4.07813e-08 782.8352761 4.07813e-08 4.07813e-08 4.07813e-08 23.26118529 101.6115054 219.0731016 99.22778648 5697.923963 6611.945646 12013.95409 6179.4644 9608.842161 8087.573263 5997.365066 3665.835641 4854.604319 4.07813e-08 49.9476268 89.80372532 64.90532926 4.07813e-08 4.07813e-08 4.07813e-08 105.5334131 55.5786452 7977.618553 6127.419708 9570.754585 5461.22165 8536.71073 12148.43991 11120.33353 6788.139741 10233.8904 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 93.08691227 4.07813e-08 64.53913983 4.07813e-08 4.07813e-08 99.2934608 4.07813e-08 188.1479423 765.050488 11063.90206 97.25287041 8695.443139 264.0103632 (E)-10-Oxo-8-decenoic acid 4.07813e-08 155.2884395 428.1466705 743.2267395 1378.596518 4.07813e-08 658.1040696 978.6083989 1818.370469 4.07813e-08 0.575980032 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 686.4698278 2435.10138 2496.879089 2734.03401 88.41190614 1669.628817 4.07813e-08 67.4984972 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 191.1162976 1113.867164 1166.415646 3308.350701 2534.915149 4.07813e-08 4.07813e-08 358.8602853 2697.781274 2611.632988 1655.450682 352.9788145 566.2798827 665.0468324 1531.738534 4.07813e-08 4.07813e-08 Folic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.000936162 4.07813e-08 4.07813e-08 4.07813e-08 1.1359377 3592.182529 1814.632556 979.8126252 2742.125657 741.9233218 157.1618945 116.9832368 107.9609783 833.6397034 4.07813e-08 244.8893423 348.1357246 4.07813e-08 753.3826054 121.7817031 243.9309131 4.07813e-08 98.10649024 204.7340434 1270.952054 214.8143596 292.5054264 261.4461503 439.5699669 972.0668229 102.4986784 548.897582 4.07813e-08 4.07813e-08 4.07813e-08 303.2435429 4.07813e-08 278.1154733 104.1551762 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 252.7723288 300.6332149 4.07813e-08 393.4231082 4.07813e-08 DAPT 742.5082193 5036.526427 723.0893159 1106.096939 4.07813e-08 860.4992152 2587.038335 3763.42086 4415.736012 12905.07299 9431.319704 5877.258163 14874.74012 4887.114064 6134.990508 3157.459628 5379.45145 9338.119032 11.54562018 6.684437825 76.56180538 76.48202706 187.1694219 256.8322647 100.7742166 721.0031053 107.2839356 8735.869121 7591.626486 4897.075132 5709.758309 6779.792093 6776.132495 9875.820009 3678.449367 4434.939063 2159.775725 4.07813e-08 332.5466947 150.7553618 2.207967834 276.1927965 7.515605056 115.0591133 16.88254926 14.73114289 574.9222813 850.1754839 1751.22006 7051.126362 9917.940232 767.8428076 12873.95045 517.4196891 Metofluthrin 2288.397527 1581.548318 2846.874304 4367.672609 2308.992642 1797.755605 2688.001629 2385.283761 1617.321945 237.2690318 378.8091063 860.1580062 634.8898511 1115.808431 376.8948178 246.9494276 322.4114464 15.23475141 7191.514162 7162.863448 5841.25509 5566.951836 5978.689093 5503.971366 5205.397352 2592.43587 2833.720714 1058.889738 1233.541572 1121.45133 1079.995515 1002.82132 1002.770851 1373.738149 457.0821386 914.9945012 4170.145184 5387.080759 4643.042713 6020.882896 7188.33682 6520.304738 4889.970103 1616.589939 10091.3043 4926.781228 3441.15526 4375.199986 3882.543992 2442.490812 1117.398947 4873.72716 631.92703 4586.29803 SR95531 990.4861428 1041.081982 576.4603747 252.0506846 4.07813e-08 117.5820898 367.6509794 905.6564608 1173.706123 5772.678254 4118.624757 3811.051004 5379.202037 1554.818589 3084.502919 4189.975105 7224.281493 10961.13588 593.4559454 106.4766404 798.3288889 171.327027 532.533224 650.4982443 277.5712227 854.1108108 132.7881616 8556.944867 4232.070885 4443.010154 6681.249028 4856.82737 5271.767202 8369.948837 3780.172789 5664.914125 1649.359233 351.7226107 300.2936305 53.7248143 319.0783631 435.8710111 307.0951884 724.3486402 140.0519768 184.8835172 767.0828619 474.0776488 445.3699844 352.8700321 3613.574542 236.6760126 6814.114326 261.0571096 Dhurrin 595.5329565 3666.237367 575.5193279 529.577216 202.8904173 225.8647863 1776.511981 1995.438082 813.8939998 5955.894409 7705.616853 1528.258689 4514.421498 1815.797775 2130.404327 1338.267942 2426.008115 1644.304538 418.4009342 4.07813e-08 71.03720058 308.8437329 326.7281145 178.48265 474.7595017 114.0853645 142.0018567 893.0234153 1328.826529 2919.919029 1032.418661 880.3958098 799.9425284 5608.054908 1013.397229 893.7735861 650.4646272 294.3989642 108.0870528 228.2034948 4.07813e-08 93.53753598 4.07813e-08 571.0265297 386.7139372 163.6727457 441.2953857 738.3431443 1461.206998 1573.461608 1086.873719 951.1212956 1021.718829 2555.369381 I-Methyl-4-nitro-imidazole 265.4116584 109.7215344 217.1374908 151.0690245 220.5090781 154.3591186 268.1797647 101.5217928 109.9307632 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 303.8687607 473.5078803 271.2716843 408.6816693 247.6712502 394.1765685 300.5260732 425.0390173 459.4412079 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 243.5022896 374.9272898 254.8925465 302.876339 353.77133 270.0898331 418.3700557 509.9615412 341.0257846 247.4623841 251.698193 280.7593635 198.5104259 94.20018901 4.07813e-08 241.9620441 4.07813e-08 375.172823 L-Baikiain 781.4264646 623.6021435 1253.504012 1839.871033 1178.07144 841.6628265 1244.562517 373.0182646 501.7607477 274.4894349 620.765179 688.0273268 453.7485681 435.5725036 705.5601149 357.55956 91.90281721 4.07813e-08 2323.408835 1990.518017 1606.801171 1414.780508 1728.029133 1919.71795 2076.467883 2383.844915 2022.326461 368.2291345 456.036211 321.6632054 314.0227053 600.3324578 599.6256323 685.2010387 67.6307828 448.325004 1706.14458 1405.996027 1337.333923 1497.844307 2045.896978 2126.928676 1899.167684 2202.475652 2693.115923 6375.571134 5283.103709 2860.210245 3029.541089 1873.456948 570.957502 1464.588067 1091.857691 4094.812916 2-Ethyl-1-hexanol sulfate 8475.502986 4178.598983 5414.778592 5176.044251 7532.435718 5398.196093 6125.164921 3419.928933 3131.804295 4.07813e-08 4.07813e-08 29.04369747 4.07813e-08 37.43270186 4.07813e-08 4.07813e-08 4.07813e-08 55.12396418 5763.992287 7962.933445 4526.953705 5477.181041 6985.773364 5929.42221 6520.828453 6544.530749 6135.922995 33.16502168 4.07813e-08 33.40757165 28.74620477 14.56479539 13.47968491 4.07813e-08 4.07813e-08 11.41593077 4074.200032 8070.442797 3645.191882 4724.923077 5753.869824 5371.427744 5359.23414 5964.123127 11508.59655 4022.673756 5203.842174 3590.385354 4104.377616 3050.692866 19.07224589 3380.165349 4.07813e-08 4991.532593 Phosphinothricin 1512.519289 933.334464 3740.064619 3998.303592 8748.797044 1569.88452 1215.220073 2112.567516 1157.821156 615.4264842 319.6801588 528.1911346 457.1193296 469.7683375 75.54893108 4.07813e-08 4.07813e-08 1098.897346 5066.017235 4959.296473 6063.861197 5648.254311 8026.316618 3844.598132 5722.206116 2101.164317 3123.881004 303.3949544 710.1262056 4.07813e-08 452.5528837 953.799416 19.59522468 792.2715588 230.8713168 1582.466325 3283.465178 2512.686347 2278.795056 3372.087704 5537.320818 5552.084111 4333.438832 2154.038517 3739.596385 2546.435157 1801.104315 2082.886542 2778.135432 2688.9573 1218.02527 3046.509165 614.3980337 2514.347733 8-hydroxymianserin glucuronide 962.3706615 1549.690507 200.8259463 491.3973499 2.958143058 321.0146821 1043.330337 2285.241549 1451.315657 3784.228941 2156.258192 3995.812633 4280.656344 3048.347906 1016.956297 1797.743781 3818.786879 8284.837488 563.4962508 664.7262568 1403.387006 612.2864927 631.9508122 148.0699742 1518.042614 216.1266418 323.1955402 2250.264305 2285.153096 2988.574061 3079.717502 3023.526242 2494.756969 5951.354545 4514.142913 3425.990093 5056.65317 528.3149925 284.2165931 925.0404002 348.4950483 484.5170597 540.3861291 211.1630437 714.8247074 14.07596624 4.07813e-08 281.8725677 860.4824084 383.1879224 2703.101196 548.4565756 1784.078701 507.2360034 Abrine 415.3132857 648.0495138 409.9171957 734.4404631 674.2297941 201.7857509 580.8115074 1176.996499 1080.01267 4176.032297 4974.469056 6632.827735 3906.75434 5295.622626 2942.293686 3864.718189 3516.736283 3106.535011 1378.960423 612.0968232 1185.884162 1062.019872 1346.293263 770.0658147 1161.430614 1251.288893 1116.070458 3940.608758 4826.172041 6009.276056 4333.884573 5458.631036 4166.106695 4223.706565 3681.6935 5105.530714 915.5618732 572.6496296 956.1484272 1226.064488 1257.594935 1299.684785 961.7081932 1645.076158 1232.893927 701.0524722 781.5820406 600.283062 688.2628703 1381.797068 4835.065627 723.5699154 4134.461991 557.6083277 Methyl (9Z)-6'-oxo-6,6'-diapo-6-carotenoate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1671.71527 7123.84655 7239.937785 670.650165 4.07813e-08 12300.14901 3932.162257 404.2308795 2021.957066 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1270.461614 13814.94847 4.07813e-08 3796.754444 2220.316071 5701.124075 10299.82506 2223.468156 1249.843035 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6711.390326 4.07813e-08 4.07813e-08 4.07813e-08 cis-Zeatin riboside 1366.109227 2097.470927 707.5405807 531.6620148 1651.947665 1611.037454 2159.269272 1349.210779 1489.37154 243.1141174 1641.935935 205.968793 32.58091809 45.60430799 1915.172669 782.1528554 1721.228849 780.9608187 2673.43363 2474.959589 3229.261872 1667.334372 4369.956833 4582.37855 3454.250917 987.6419834 1932.729632 275.1422592 4.07813e-08 148.9016909 414.1658591 56.76120804 101.8912465 84.03063732 2674.564456 126.0736456 1032.940942 1401.244933 1437.691547 2223.793553 3291.132654 3730.249428 2442.158652 1176.7578 2114.173595 1128.559272 834.3193047 1886.150658 1892.117023 2686.899935 286.7750429 1102.073155 404.6693542 1564.459592 N-FORMYLMETHIONYLPHENYLALANINE 58201.47952 36672.78014 70341.55043 87436.06247 90276.37309 62354.82133 51200.06394 42600.99098 46155.39671 4.07813e-08 287.4784736 4.07813e-08 322.2236377 4.07813e-08 135.3258653 4.07813e-08 1689.166353 112.3269637 49394.19818 46537.09634 40964.25823 40618.81448 35433.76261 29577.6797 40951.66751 41299.08342 43091.54664 138.2406953 917.2811103 108.6547793 97.51659795 642.4470988 407.5276302 486.7497771 4.07813e-08 100.1263928 36784.74145 34129.77167 36730.74005 37813.86968 47436.90603 45571.91146 28492.49141 40708.70977 58957.94696 67854.47773 32145.73144 29304.7089 41426.21963 21863.14724 356.6781657 36800.97124 303.8045057 32129.80493 Perlolyrine 459.954633 2593.60502 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54.54722331 4.07813e-08 143.8278504 1583.747281 3148.143897 15273.66849 1686.134102 638.1323581 5428.975207 6543.281212 90097.50249 4.07813e-08 11.19484457 4.400214617 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2751.704693 3543.759843 42628.68874 904.3933539 990.9085681 5295.943075 10095.28661 24344.91138 4.07813e-08 186.4156269 4.07813e-08 9.748179961 8.738220674 4.07813e-08 4.07813e-08 9.372158392 7.534595593 4.07813e-08 4.07813e-08 388.7933574 382.9963654 535.7055714 4.07813e-08 12004.19881 206.7478508 6444.309671 11.77370522 Hydroxyhexamide 3943.233691 8889.568323 5845.701601 8115.491787 9614.528157 16767.91098 9206.696322 9974.470942 6956.866286 123.7181774 127.3420543 4.07813e-08 204.8942299 4.07813e-08 36.27600698 4.07813e-08 143.1956985 322.8362591 3766.16968 13553.42884 10002.58052 7139.878267 15288.01852 16188.98297 11437.61692 4882.442769 15821.57261 446.6313054 4.07813e-08 48.67215561 154.3908263 943.2661019 411.2482466 4.07813e-08 4.07813e-08 493.8200431 3356.229307 10518.52583 5998.203802 4272.373563 10195.76313 10000.43722 16596.01683 5625.462561 14812.72034 18959.12172 5868.911172 4717.861371 7692.500037 4251.378999 2470.600641 11969.44908 303.0829382 28317.92631 trans-4,5-Dihydroxy-4,5-dihydropyrene 14591.84813 7219.390782 9406.503159 6503.26864 7759.594551 10234.51885 13228.0759 9255.844489 10164.58089 2530.482202 2724.286184 1860.997827 3709.513185 349.2999486 1250.17587 3502.571316 5629.157405 808.8006609 34156.43085 37429.72647 27255.41377 25711.00036 32087.19921 25442.60986 28870.72584 29414.73686 26282.66208 1291.113276 1648.115 3597.654838 1132.632747 3473.277445 1331.330264 2608.683114 1566.454162 383.2632666 16634.69723 23526.35806 20155.22496 22890.9191 30513.16307 35441.34045 22586.59646 22883.82262 45394.77434 17935.37984 18045.71436 17735.09268 14012.48004 10199.5211 5709.02859 16113.63542 5196.832022 19353.34932 4-(Hydroxymethyl)benzenediazonium(1+) 3490.76594 3777.913531 4424.631839 5497.033706 5735.321603 3735.342105 4776.343023 3998.103381 3190.72849 2293.702261 1786.391225 2005.416735 2488.277219 1491.178289 2168.115386 1350.425733 2008.242658 2246.562104 11658.43935 11125.66028 9194.350279 7849.378784 11532.77345 10309.47803 9258.402882 10937.34592 11306.01943 2276.780077 3355.461604 1581.14088 2109.459 3690.99638 2474.375297 3541.22113 1490.444683 2491.152719 7396.703762 6919.843616 7360.550868 9024.629574 10117.98782 11232.36639 8725.490536 9860.97907 14015.70646 6582.895585 6077.355836 6479.916788 7868.062235 7258.968432 4677.04739 7487.918815 3114.880583 7875.59728 (2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol 777.4705125 609.6247772 131.667993 248.822983 204.5837038 545.5214923 884.3013337 2583.910017 1135.419384 3414.933965 2400.847266 2241.594425 3414.840826 2973.108102 2263.793347 3484.451056 3598.778085 6094.074091 128.0700608 253.5843628 43.99219731 688.3386004 158.3485256 40.59939465 237.2162502 661.0566345 165.5119531 2139.207483 1987.275123 2450.135767 2664.952583 5083.951996 1477.675091 2232.954399 1641.207298 3937.959675 784.582624 192.376378 54.22704372 135.8262685 350.8284156 131.3693786 150.0053405 383.3407641 369.227145 45.86721171 28.48251871 250.2939075 1157.818306 848.4123069 2945.967265 401.9098229 3815.793357 942.0998259 Cotinine methonium ion 4726.323269 1767.538694 3854.959832 2314.233482 4986.62355 4479.427698 345.7872931 1961.290486 5438.38628 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5313.930234 7961.846383 3970.360033 5496.065523 8101.690088 3431.609746 1945.957388 3222.658685 6880.941291 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1070.530845 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4362.243951 6169.588623 4916.915614 9267.914771 7618.734917 5300.821527 3845.224573 3038.701366 9470.350742 2939.002086 1581.554618 1545.2511 2427.931769 959.7427992 4.07813e-08 521.4535511 141.8733915 118.155933 5-Hydroxycotinine 4.07813e-08 4.07813e-08 408.1883854 238.0051504 681.1144865 633.9991511 1395.723767 373.756684 184.3932521 4.07813e-08 5223.900007 4.07813e-08 4.07813e-08 4.07813e-08 8177.062193 18506.62564 14222.96398 122.8563791 940.7029144 388.8487793 473.8967853 4.07813e-08 1550.761007 945.4531458 825.3615423 1083.124383 1006.119761 10040.11458 4.07813e-08 3242.484661 4.07813e-08 13079.79281 6231.714236 121.0481262 4000.85524 528.6289286 120.5336514 402.4744185 782.2541155 103.2052941 884.3299735 1706.638127 1763.683487 1088.595116 900.2941231 286.2670031 407.5610143 124.4030953 199.6845873 4.07813e-08 3679.431746 380.523583 19195.92635 3207.663439 Dehydroxymethylflazine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10374.99716 3376.631132 6217.034625 8663.911706 8506.651103 21808.69974 44138.22116 64448.77415 4.07813e-08 4.07813e-08 4.07813e-08 3.266820345 4.07813e-08 9.999209125 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 108573.2231 5483.605344 8111.076254 7051.252552 5589.345336 29692.5525 10067.77785 113090.8711 22689.8938 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29.63103238 250.2065851 4.07813e-08 4.07813e-08 4.07813e-08 Ergoline-8-methanol, 10-methoxy-, (8b)- 12633.47693 13127.86857 11238.59627 13421.62899 14372.02171 15359.42314 12264.92701 11123.23114 16183.29224 123.6504467 297.0521075 617.8663913 371.368975 187.1936506 214.7929593 191.3795263 4.07813e-08 353.6813571 8481.479706 11513.19599 10310.83182 17038.81762 14432.85731 9695.426314 12805.5608 14915.49585 12432.443 319.8600502 581.1891032 370.5967068 4.07813e-08 739.7012199 318.1297505 387.2999156 103.5628224 4.07813e-08 9400.389372 10498.44954 8884.865838 7702.889608 10654.84355 11198.45156 6684.616319 9113.055349 14653.0703 10985.70496 9246.958263 6322.46488 9701.244967 8643.867265 323.8648503 8659.510636 322.898501 8519.400693 cis-4,5-Dihydroxy-4,5-dihydropyrene 0.866003169 245.5580041 1.457345683 2.200637546 4.07813e-08 192.7969571 502.598561 179.6242476 4.07813e-08 4.07813e-08 13242.07078 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43478.9739 2157.580497 4.07813e-08 1508.562924 1426.855105 776.2015903 667.990682 1866.076774 924.7158802 604.2474372 430.5069856 767.1501542 53876.41712 4.07813e-08 14887.37918 4.07813e-08 986.0480791 4238.638728 4.07813e-08 6785.937552 153.2275995 153.1717348 946.811695 862.3409916 3.460728415 1351.038973 1436.282204 238.4961387 433.6960231 1323.511001 820.4619034 634.668223 642.7833172 1.749034292 433.7255146 777.6601582 470.5813387 5539.528071 176.5275374 CYTISINE 6739.71021 6260.144515 7588.633812 10337.97253 4984.468878 6416.166715 1863.574844 6469.944971 7038.592989 3138.081739 12455.28069 1870.810515 3556.858802 1025.213581 5042.686962 621.4062849 6741.3853 4049.178568 3511.539695 8095.741436 7217.333142 13318.70013 5476.985113 5921.002799 6116.261188 10517.59963 4500.048446 940.7794186 885.2430318 7465.64155 542.3629549 21615.67265 1733.456416 7434.230626 1762.263191 8217.96437 15497.82878 11103.58845 10958.80733 7485.830007 11843.88174 4808.808264 5508.082829 8197.11143 10868.69019 19830.88295 13663.82858 2384.171172 9084.776779 2941.037466 323.4084775 3165.295092 4719.817549 2189.358707 1,2-Benzisoxazole, 6-fluoro-3-(4-piperidinyl)- 112.7208242 101.55068 135.11616 176.8733795 123.0248481 69.45767449 271.8496185 315.3874473 70.95757402 4.07813e-08 421.5203124 4.07813e-08 122.3789783 4.07813e-08 4.07813e-08 155.2388421 3058.614405 4.07813e-08 1172.801267 887.3328429 449.3987438 801.5764465 1561.004159 471.2071885 925.7845581 1352.395648 1283.73705 677.0071372 139.7223512 451.3434238 4.07813e-08 1727.486604 268.796405 5.778468437 692.6653235 4.07813e-08 632.4843822 493.7995415 302.496207 632.0371142 1096.145346 923.5595966 715.4079189 471.8438445 940.0843946 769.1938186 551.2209048 870.3933205 63.44956946 36.09002111 259.3982645 390.1255383 39318.36769 529.2848343 Verruculotoxin 4.07813e-08 423.8181538 320.4003848 680.8230117 5128.277856 4.07813e-08 2654.478099 1701.711651 976.5866779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1474.716818 3434.185071 2087.142238 4291.454473 7079.417821 450.9205916 6373.033959 1116.742509 667.8276251 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1202.541856 1804.865517 1283.838339 4637.35775 5519.718334 3973.950329 249.7715763 395.3819279 4242.728776 22390.69321 22450.08564 2977.426955 566.2427039 4566.759394 2045.376748 3803.415439 4.07813e-08 4.07813e-08 methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9169.482235 4.07813e-08 4.07813e-08 238.9409352 4.07813e-08 18323.23697 4.07813e-08 4.07813e-08 4.07813e-08 134.3066507 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24037.07749 183.0819354 9998.029604 4.07813e-08 10715.89337 15151.1269 4.07813e-08 23418.41313 200.816868 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4569.731195 4.07813e-08 2-ene-Valproic acid 3721.495486 1558.138579 3948.792752 2926.368222 2480.861696 4339.753766 3269.591383 2817.568982 2862.844388 1445.619222 67.03527427 2527.393185 1281.864873 5591.376165 1300.987728 4.07813e-08 4.07813e-08 4809.416624 2654.155143 2537.923285 1748.09365 2547.953728 1745.101725 2976.073184 1990.918876 1125.638456 1371.392074 55.74536995 2487.605681 2381.261392 2665.055966 1381.676459 382.3022336 3933.348357 4.07813e-08 12228.22526 2460.605539 2660.210703 2903.878751 1728.349855 1885.329226 2332.895966 2963.771828 1051.577919 1039.563972 2104.703845 3012.22595 3650.75332 3000.099756 2221.944881 1654.774421 2677.515863 624.3011283 2946.31142 Lansiumamide A 2814.128581 6739.748654 4.07813e-08 4.07813e-08 1373.580174 587.7254331 693.0578473 5485.722975 3499.011233 210.7319968 1487.864597 731.7626256 183.0747997 1967.241764 4481.59125 1912.792713 4.07813e-08 22495.85077 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2794.342188 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 771.3706792 4.07813e-08 624.8529251 1078.161617 10-Hydroxydesmethylnortriptyline 2.905220211 1.7419922 0.273132703 228.5372895 180.7062358 4.07813e-08 0.920971494 285.4658428 1252.252339 1441.678074 7729.099633 28491.10169 1135.450242 60092.99633 28366.84139 22465.65108 305003.3092 44550.77524 2371.944366 360.9594929 166.1222439 1310.340699 4.07813e-08 4.07813e-08 4.07813e-08 0.772208796 4.07813e-08 25124.67913 4959.598081 25167.13394 19997.52551 17395.42525 5596.954783 6385.883579 50192.9953 23422.59334 2339.160531 4.07813e-08 202.2465237 4.07813e-08 782.3833546 4.07813e-08 1.502826652 0.325362942 4.07813e-08 4.07813e-08 4849.901472 434.7772452 520.4738066 938.9477758 10096.59959 230.2512244 3346.219318 2.025435284 Carolinianine 3311.019966 958.7399035 1420.725444 2577.222517 1353.368976 4510.575084 2150.687869 3237.633979 2638.08062 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 463.756664 7301.638448 6243.379143 5790.729849 6833.365486 6578.764989 9213.949176 4937.208505 5523.946566 6857.861325 4.07813e-08 4.07813e-08 184.037748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4653.046242 5294.244507 3814.149144 6892.754493 7136.044248 5689.466988 7381.448319 4967.92992 8514.373294 4098.5526 2551.313092 4344.115349 3480.856343 3494.76447 4.07813e-08 3180.86842 251.8984634 4089.525317 PI(21:0/13:0) 13734.9458 44980.09023 69975.96605 4429.909457 1902.570817 85094.76653 5011.007638 185758.3407 175225.1087 4.07813e-08 4.07813e-08 6500.324509 4.07813e-08 9335.192491 6367.783513 4.07813e-08 4874.880254 4832.679953 371879.4834 156718.3573 275843.3683 73816.05402 54948.45972 4.07813e-08 4903.979131 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 953.435066 4.07813e-08 4.07813e-08 126080.0046 78708.5113 318734.0758 210880.3152 30684.43933 56677.5865 4.07813e-08 4.07813e-08 4.07813e-08 646292.501 475814.1927 203357.5079 169455.5534 48682.68963 1613.500178 247252.5534 4.07813e-08 42429.48509 2,4,7-Decatrienoic acid 2442.232582 470.9845102 3650.375593 1671.435153 1779.380378 2668.680395 1529.234282 2035.785837 1680.807633 249.2859031 127.1819284 4.07813e-08 4.07813e-08 241.3463741 4.07813e-08 4.07813e-08 233.7134585 4.07813e-08 2341.832907 2364.241888 1763.458739 2269.33133 1596.834627 2883.698624 2912.908545 4165.412291 8847.409271 4.07813e-08 394.4075644 209.1384883 4.07813e-08 407.4732375 4.07813e-08 130.1253035 4.07813e-08 106.8535248 1279.900365 2117.589017 2050.298058 1910.745872 2198.788589 1072.999079 3215.470791 4288.711244 10606.25295 1164.65968 1966.870637 1344.230566 514.2705295 490.9053339 90.62010042 1088.08636 106.5278215 3190.761691 8-Propanoylneosolaniol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1295.412815 684.9632603 4.07813e-08 4.07813e-08 4.07813e-08 68.19268158 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53.31719948 4.07813e-08 152.618053 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 48.55028802 48.47135808 4.07813e-08 192.7196156 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1227.497871 579.7047094 106931.0685 4.07813e-08 19276.59388 735.0108273 L-Histidine trimethylbetaine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 537.8077341 5212.928226 4177.609579 2690.118013 5267.416436 4215.422119 4459.326286 3500.724214 12560.04228 9107.062025 942.2928348 4.07813e-08 445.9853903 203.3743612 149.3667738 236.0723915 4.07813e-08 4.07813e-08 572.4699634 7178.213215 9161.593619 5832.527073 10672.02589 9503.232875 3123.612388 5204.914514 4988.375571 16426.80813 1146.663463 285.5860332 232.2087572 363.0990658 221.4249029 369.1511481 4.07813e-08 4.07813e-08 197.7383234 4.07813e-08 4.07813e-08 4.07813e-08 339.8065532 1411.164225 7955.405296 312.7261516 5612.608284 478.5005166 Ornaline 2554.369445 5912.915051 2022.221563 1807.204642 3037.303601 3612.508013 5300.805262 4388.319198 2842.297765 28238.28334 24597.46977 4967.100307 24186.35917 7061.68425 7734.256693 5059.133957 3848.374947 9405.574619 2439.232308 6694.272467 2017.680088 2882.244829 4124.362841 3208.9551 6177.900781 3022.576707 4362.370134 19732.08724 18065.40481 6953.753216 14188.69396 23192.67254 12301.02388 16958.62476 3144.590157 8509.496457 1464.771749 2580.799883 3830.404335 6595.100132 3691.299545 4712.130621 4223.066288 3879.631207 3002.980915 2412.597425 1725.867726 2796.577975 5880.028538 6212.585856 18714.3234 2780.103394 19613.99692 4830.146458 N-Methyl-L-glutamate 2123.971759 4434.269364 2460.460265 2679.545687 4255.758448 1222.771629 4749.740068 2539.403256 1255.890773 12312.92387 9264.828827 5461.940037 13281.25881 6575.052566 6977.274758 4045.396626 1269.418932 9714.447186 6434.062622 11186.83314 6911.737297 5506.496901 6379.132754 5591.305192 9904.244902 7466.585426 6050.256339 10042.20102 10968.83875 7929.015584 3269.931702 19371.7569 9304.859537 8994.076356 2663.468788 4899.474338 5962.045326 7812.109652 5989.782128 10265.11178 7294.151866 6604.123764 5106.003011 7058.657699 7219.560894 4087.405481 3228.598043 5330.914791 4771.758738 5461.369502 12301.90521 8229.4216 8700.389828 3627.771567 Pyridoxamine 5'-phosphate 11040.84236 8828.408446 5199.45485 2671.028155 16427.04887 15395.55558 11340.68665 18632.89792 14526.58495 15611.04495 5508.891674 30652.04024 12314.9163 71811.20225 32963.34977 13725.01857 87739.18985 4353.452339 15649.91054 20478.6851 11517.51304 13214.42686 39701.49684 37803.69255 23895.46756 2734.918718 22513.86864 92169.58622 33482.27729 6826.923398 39319.31933 1474.9308 14588.42273 5946.996911 184753.4339 21744.76676 8896.959239 10578.0837 6053.238044 16861.60603 20557.68524 27864.88122 42529.02442 3021.912932 11360.01961 29144.90163 13696.41216 13796.96782 2462.246966 6667.603609 1698.662644 10327.50308 8172.974157 34088.11924 2-(N-morpholino)ethanesulfonic acid 3833.293413 2457.106612 3960.774605 4917.46178 3572.937421 2904.880091 4311.967122 3376.975103 3574.452853 372.8124152 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 439.5549237 6554.713875 4293.738747 3851.496972 4495.985543 6965.133553 6434.426788 5863.891112 6011.391587 6739.248973 4.07813e-08 610.9481384 4.07813e-08 4.07813e-08 650.3700583 493.5568028 792.6537228 4.07813e-08 4.07813e-08 4086.848549 5918.227463 4805.058788 5274.933841 4752.66337 5061.489235 5360.130198 5557.934441 7097.595784 4317.705708 3557.214372 2707.274609 3461.269124 3790.484001 4.07813e-08 4342.507267 4.07813e-08 4352.144847 5-Aminolevulinic acid 2615.862856 1799.394901 2016.841396 1655.468703 4423.379469 3417.602822 2347.955668 2715.1263 2784.759969 1708.856729 2413.451313 1401.207708 1406.942631 1745.187779 1195.825462 1926.761443 753.863592 3221.121517 3182.13797 1798.585284 4014.409538 3256.774897 4432.205783 3300.534023 3344.405522 4334.737297 3361.049441 1576.116427 3188.715341 2258.605567 2481.309569 1850.621942 1816.325221 1792.427756 4.07813e-08 1691.042613 3865.097002 2534.526269 2355.440679 2751.468132 2413.122249 4463.958832 3129.008098 4275.679679 1675.804047 2643.746451 3167.002038 3780.525662 4209.785692 1464.81582 3097.118574 4091.509589 2049.825465 2773.787805 Phosphocreatinine 2986.322462 8476.948175 13732.87138 14257.4502 11078.12621 12664.1286 4003.564308 2754.526727 2580.187019 6344.752706 5019.23989 1931.10961 7277.38368 3892.483188 4267.619924 3077.055252 3287.230801 1077.298468 5919.334302 5138.985798 8425.382074 10002.97793 12085.31364 4789.845226 13915.92063 3198.955004 5131.822005 1757.379795 4367.190308 3885.537275 3530.814732 3996.019039 7297.448993 8332.301186 1810.81424 6548.867131 5901.383657 8253.651757 3350.211305 10220.50653 7591.495192 11999.28624 7742.869056 4713.92051 11662.39463 4716.662969 2327.386804 5580.018011 5325.989314 15080.82447 5114.679432 7455.056066 5730.095802 3978.800771 Bis-D-fructose 2',1:2,1'-dianhydride 29437.37658 100622.511 29614.92627 58541.51569 37986.1477 24571.29976 62866.78942 71275.49214 37003.11883 72502.10217 56759.5108 73359.4549 76070.65362 61374.02879 48098.27056 42560.12638 46424.50085 92432.49684 16620.16276 16274.97728 26950.73461 18866.24762 21891.32713 17145.32195 21737.69991 31031.57465 20344.62921 64083.0749 71004.70721 64713.4662 44266.5305 65190.4099 72320.63822 56781.05906 47848.52287 65968.73392 41654.72425 25269.84428 24893.51125 19362.0466 17836.13057 20419.00995 14135.44843 31986.5396 24859.91135 14291.22988 14230.60665 25501.89186 49001.68043 90793.99737 63508.20386 38485.57775 51522.81738 33261.24221 S-NEPC 4098.65113 6380.772149 743.9455136 1910.194805 1556.594562 1716.859983 2462.54397 11158.27641 4593.458605 93.70751031 440.7557999 4897.216342 12.74863793 1009.845963 4.07813e-08 274.1984891 4.07813e-08 1165.728368 2234.888272 2913.127336 4559.229865 2392.976361 2548.989773 1759.470757 2433.498016 9418.813684 4246.341859 213.082605 888.0395077 609.032781 2643.021438 464.0199557 4.07813e-08 382.3586987 4.07813e-08 2260.762869 2837.555527 2577.769672 2796.965283 8179.233856 2874.543471 4244.220481 2160.712081 9709.673926 4859.066694 1283.599092 3831.848827 3736.55083 9092.524321 3898.89328 629.7978341 3220.570642 7006.541844 5455.349094 Propylene glycol alginate 8576.598351 29603.40992 11468.454 19338.69266 6248.641207 7531.650695 20670.91555 22400.40297 15121.2534 57434.98962 44986.49558 56632.11304 58618.37725 49869.70345 40331.95717 27084.69531 12667.55099 55970.45416 5569.937375 4707.297367 6480.792588 3506.238828 5946.183028 3981.983874 5782.51242 7872.393357 4153.233097 39062.88855 55559.72473 46043.01961 28060.88615 37845.91184 55922.13391 61871.56675 20886.17096 47870.1979 13090.90356 13713.42213 7585.674783 8010.706383 3129.067095 6401.347347 4532.383273 8245.888776 9830.440975 1901.899873 4287.643478 8080.342149 9528.108316 23292.13515 48520.73959 9069.093996 43379.80174 6103.728189 RETUSIN 7-METHYL ETHER 6082.779217 13924.72642 4447.833668 8746.209699 7348.892103 5864.760644 9201.37268 20977.74628 12708.75442 725.8756839 1274.093341 3389.762631 564.4967744 895.3864779 316.6521501 808.0511053 491.6411965 1347.457196 2787.124192 1735.323324 2812.392008 1388.288754 778.831047 820.4531847 1622.930231 1283.468806 2561.121844 766.4007165 1012.770002 1073.659713 3380.216025 507.327834 747.721809 778.1936926 416.478969 2498.817801 3283.627713 3057.591417 2876.604102 3899.143119 4019.840422 3285.900208 4225.041972 1498.066761 1993.00581 4618.642855 5826.731851 10904.69606 14856.97074 13729.99339 189.9993735 11791.47054 4346.834697 10457.03173 Lunamarine 4395.195915 8968.400352 1693.601592 3729.812687 2104.907252 1546.082345 6411.589561 8650.971878 1480.088984 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1348.151102 1148.642205 482.9564489 594.5449437 850.2818643 4.07813e-08 426.4121528 4.07813e-08 1503.599284 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 228.5302957 4.07813e-08 1952.845784 677.7593156 2950.151442 4.07813e-08 152.6788306 842.5234554 4.07813e-08 4.07813e-08 730.6740745 4.07813e-08 4.07813e-08 1549.169433 4137.021318 9048.806937 4.07813e-08 2825.73478 4.07813e-08 5977.696613 N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 175.5819507 184.6006605 4.07813e-08 4.07813e-08 138.0499835 4.07813e-08 193.0810767 4.07813e-08 4.07813e-08 4624.245612 4819.936201 96.38728623 4416.221711 3559.480502 1751.572651 2445.924866 854.956857 619.8907524 569.477525 625.9779622 254.4990524 293.1015815 116.7776698 525.1406285 696.0374136 147.2600742 240.0952186 1496.584921 1737.383976 2682.970819 352.0219227 487.635207 1244.800105 5745.408479 251.6975295 840.5573007 220.7285931 324.5386666 126.7969115 14.01865997 348.463258 583.0865101 147.2048572 169.0770545 936.6131862 253.8671025 345.5311103 272.2779006 4.07813e-08 105.3220254 1463.83901 68.54594738 3394.487057 82.35168113 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide 4.07813e-08 138.4233794 22.57234761 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 123.8959104 4.07813e-08 38190.49526 28219.09727 1049.234364 33780.56992 593.6714008 1770.211993 3082.239329 588.1380029 2425.317048 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2906.113452 2030.136947 6816.833454 1695.430575 1517.498024 955.5066366 21307.93379 615.2011543 678.4769198 4.07813e-08 1613.692347 25.19467143 197.5627137 4.07813e-08 4.07813e-08 4.07813e-08 120.4434013 4.07813e-08 4.07813e-08 96.44985263 17.49747649 4.07813e-08 78.22354829 2308.171716 4.07813e-08 1442.871701 4.07813e-08 Triethyl citrate 83.21771829 6054.738367 289.7397493 4.07813e-08 150.1626855 265.0153116 1770.834404 611.2996834 1907.43088 304.6141309 533.7922285 448.0368187 531.398344 388.649525 320.1187203 4.07813e-08 314.9874769 593.1052592 334.7729534 404.0591044 337.8917687 235.4673177 304.9814569 349.8007055 388.8840256 228.2519385 118.7122329 663.8437023 328.1733467 528.4132607 295.1044587 532.8633212 125.1150718 713.5305037 55.93572016 145.3301883 420.0861144 165.8059215 95.02089464 4.07813e-08 164.4037685 174.7884416 249.6097922 109.0680719 281.6521584 4.07813e-08 86.51599738 174.0573233 481.174484 2692.20708 453.330105 161.6560176 571.9850842 4.07813e-08 (2R,2'S)-Isobuteine 816.5113259 8737.060243 1175.453496 679.2763709 136.9619438 373.3085199 1339.955284 351.1043318 906.3108501 6695.922179 6350.536289 2275.334751 9108.696179 1111.691462 1344.354162 594.0167609 3060.072813 858.5574692 403.7691447 201.4021315 1259.722065 54.102364 790.505475 387.6251932 1357.666965 177.2597053 251.1838551 1613.312679 1262.835244 7981.167863 1483.339496 1338.571227 1630.246184 5283.0678 2272.021975 914.4766635 2166.839636 173.1935021 192.3408593 431.0388287 155.56968 736.4838868 539.6814482 867.1807054 49.73521333 959.0367528 657.3673913 270.1282519 939.8820304 2735.158516 2882.112226 382.7662507 5210.620123 516.432728 Benzyl methyl sulfide 7685.030015 8273.199012 5814.132541 6073.534579 6583.715436 5257.483486 6289.097946 6489.101175 8061.021064 3003.068046 3968.362678 2114.915891 3722.859673 1883.407377 2230.879821 914.9397895 1350.291519 3278.205498 12792.92809 12906.33921 12631.94462 10212.17431 9696.062476 10489.29084 8890.151938 10288.43608 11170.34834 2948.89853 2792.003821 2382.627262 2159.387967 3833.293028 3264.804707 6178.653352 1592.478382 3150.839416 9850.722729 7945.579044 6843.553914 9680.213292 11277.51818 9776.063346 10189.81257 11660.23709 11999.83793 10184.15853 7335.326 8264.294336 6551.095179 12892.5089 4758.433906 10010.18335 3000.600429 7613.067572 Acetoacetic acid 876.1531837 1254.621988 866.4598759 1161.121895 1807.346191 920.0428926 557.8663843 883.7698134 889.1245561 777.9519412 688.0385011 770.8814226 988.3500488 389.0458866 593.6194356 151.4158313 168.2493402 535.3435461 1949.761846 2686.096372 3155.942248 2619.183752 2363.603052 5196.279368 2070.959676 2509.157408 5048.410014 783.3451209 774.0826226 530.9263315 273.8098219 853.3420083 739.0346755 1039.523007 38.12078251 856.1496021 1420.218134 2179.570821 1852.231411 5197.270998 2159.123782 2395.162574 6712.192821 2765.943333 2021.8493 2821.19619 1301.521857 1422.21276 1723.46433 2221.973085 944.9747726 1563.496896 491.0482496 1500.971097 Prolyl-Alanine 233.906767 1490.322098 160.6935121 316.9120301 4.07813e-08 998.5763079 328.4800017 397.3292638 1808.472909 10173.25209 7920.790787 5453.51745 9665.589535 5217.719073 5423.134324 4326.571348 7000.829928 9237.056846 234.1521959 373.647147 142.5111695 193.6194183 290.4627764 4.07813e-08 163.7657933 397.2691726 82.99638023 6249.300305 7461.431628 7797.023281 7404.446818 10008.37298 6592.777282 7005.932141 3648.544686 6490.836312 326.6183324 114.3986274 104.9810909 44.95009547 41.80416866 360.9943917 34.14248914 228.2359274 4.07813e-08 134.7094948 147.6463418 339.1932198 469.7270216 1519.213545 9170.971847 275.7516032 7715.190207 438.799905 L-Lyxonate 828.8546776 2059.810892 341.4939825 545.0203726 514.8780193 943.4147318 948.358881 875.3656845 880.0636415 886.6619677 438.2407008 187.1936337 1172.890488 4.07813e-08 4.07813e-08 4.07813e-08 45.15921259 87.11387121 216.4057264 837.9910729 164.0692483 50.30374758 169.807211 274.0329278 925.5550093 4.07813e-08 378.5022076 199.5744362 331.6065761 491.7950635 21.02251 855.9660157 381.4782995 158.0243951 146.9280731 190.6202052 3413.926943 217.179827 42.10493011 189.6080371 324.0459129 366.97477 653.9462176 4.07813e-08 38.13328366 1394.774126 547.0502164 629.5247941 1009.739795 1262.14552 324.0714362 870.732711 4.07813e-08 1737.214086 p-Hydroxyprimidone 3080.230478 7062.004149 1763.741428 3879.498876 2722.20872 1195.916999 3549.625248 6133.195072 6681.752394 1389.545741 2746.443962 1425.232017 1668.804904 213.9553228 1178.284968 1241.60045 182.8817951 552.288062 414.9061206 1527.282291 1101.343995 238.2198598 882.2344924 247.6335132 461.9664486 974.6610379 929.8020409 1737.545871 445.3634871 268.2663345 1213.031139 515.7779305 385.4857514 1313.475062 1737.231688 803.5146678 894.6976193 712.0522491 1065.440134 1249.40472 464.6444392 640.946873 384.0546997 427.8345218 16.64346957 235.0518853 2623.72299 851.1864612 3866.511969 9462.785866 358.6713074 1498.58349 1202.20244 943.7883124 N-formylmaleamic acid 4139.528581 6448.733807 3007.601304 3554.93742 2717.168288 2225.371075 3642.870154 2787.30908 3996.140534 18397.6396 20378.11806 14654.17121 20833.92739 8117.542716 10895.96091 4499.506738 4609.201728 10123.62216 14826.01602 9043.434159 8448.319586 10339.69204 5335.553473 980.7086791 8974.595213 24865.82062 1574.665797 10959.63732 16588.033 10895.68544 9086.746777 18431.59938 10504.42819 19307.04607 4229.586358 9180.079286 10222.41192 5412.881137 7129.465548 1309.785624 15396.28863 15517.54138 437.9613031 14941.22638 36094.13949 103.4286353 3285.945902 2917.750082 7375.582812 5375.074418 28013.60885 2917.154932 18865.61494 2928.749091 1-AMINOCYCLOBUTANE CARBOXYLIC ACID 380.4609113 163.0428913 108.2845506 65.80430973 4.07813e-08 157.741629 317.3827253 4.07813e-08 119.9065273 1864.985215 1231.615489 1666.670731 2076.539321 1499.488748 1713.257717 1177.890183 1594.190518 685.5154251 4209.527024 2997.995904 2703.060943 2830.212518 3438.499631 3352.888846 3021.130809 3856.84009 3349.644507 2004.629981 2107.797816 771.4252233 1698.757145 1356.280236 2022.062638 2489.603607 951.0178703 1252.654928 2068.685293 2842.542153 2122.57827 2677.546401 3170.22979 3271.290001 3464.410137 4109.221346 5245.056221 2021.872932 1563.804744 2081.01254 1866.998177 1486.819486 1824.548406 2542.34275 894.0580266 2684.883609 Isobutyl 2-furanpropionate 14131.37716 9727.748806 9452.880762 6311.048272 10168.65726 15027.74205 13248.11816 10256.78858 9358.158885 3861.324557 2623.6761 2466.736918 3213.629326 1544.594561 171.9094301 1179.734758 1150.250283 742.611133 29147.67717 28794.31471 25922.85446 28318.21513 44367.93417 36442.37025 27122.44564 27004.9084 28180.41518 874.8919058 3896.232111 2157.989906 3700.304383 6440.53449 2204.083933 2734.670189 258.9531126 2055.135112 19406.63052 23138.04638 19800.33262 31096.02636 36439.23677 34869.20929 31864.57006 26150.68559 37671.00841 22778.29668 18590.68719 22256.45985 18264.48379 16873.0216 6068.07918 20996.10336 2215.657153 19803.35808 PG(O-18:0/18:2(9Z,12Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40646.88399 4.07813e-08 152224.2901 26520.88438 144222.279 199534.8762 49439.5843 356451.6533 104592.4128 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25033.29036 93336.96248 27217.20284 104402.4878 19348.18697 16605.97167 110555.9399 162425.2194 113729.7939 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3095.648888 4.07813e-08 4.07813e-08 4.07813e-08 18368.77365 4.07813e-08 6191.541546 4.07813e-08 Fosfomycin 55225.39629 54789.19758 54013.21237 54339.19178 54382.93704 50657.5985 52191.71719 50809.82922 52613.41471 43868.81151 41679.99278 42109.8851 40844.57866 49848.85489 37437.49294 53631.58181 38777.08537 50240.3585 38971.29827 40975.58582 37827.05911 39995.42904 38538.2645 39963.30836 41963.17613 44439.06833 44241.86083 40304.0349 45215.42786 41737.22992 49979.14712 36549.56678 41910.14498 37413.68542 42976.86432 53741.98972 45234.35986 39840.29267 40858.61364 35618.12065 37487.78152 38893.36702 42680.67837 45555.48462 48936.13976 44071.88519 44319.49961 41267.43524 48006.95666 43492.02016 35635.93373 43328.32865 47416.18516 52503.78014 3,4-Dihydroxy-2-butanone 4-phosphate 42068.40596 42546.22369 43060.86619 43620.46519 44444.01195 40068.62333 37782.05574 40523.88166 39714.55733 37306.77282 36567.85398 33249.65477 34258.99133 38971.37203 28646.94277 42951.05951 30998.02122 39637.30898 31187.57982 31235.78492 32104.19662 29919.41821 28642.14576 27459.72994 33608.51441 36555.11629 34629.9557 32334.02299 36495.92129 30681.85159 39354.27555 30263.07429 31270.84728 31898.98137 36023.37187 44189.67934 36947.86476 28111.91074 29647.65509 27937.41324 27912.30905 30498.90308 35005.49944 36329.02469 35286.73649 32371.03949 33034.23965 33160.64854 35400.52224 34405.42877 26528.69572 34182.0609 38279.51505 42284.23972 Meprobamate 37373.05715 52993.31722 24400.71875 38096.0885 16364.42729 25216.4695 44781.60663 47622.34074 44661.78532 10003.84512 10493.41388 8747.964538 8767.761125 5650.897754 13331.19548 11296.90097 14128.43583 8563.15683 5292.35397 6225.990015 18811.72277 6640.905375 6843.375958 5439.68531 8564.340837 10134.63275 9750.034301 6974.490027 10445.24557 6063.182401 12313.71616 9328.425666 8341.45921 11568.77096 12217.71783 9826.204202 13727.95933 14716.89495 17848.99099 15982.52833 6073.229439 4900.444798 4741.498876 8994.684422 6518.077281 6327.470667 17099.1185 9208.490511 24378.54846 43341.98832 5680.606714 9350.709895 8786.215159 8896.857537 Gaboxadol 4.07813e-08 60.35596387 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 190.6015678 96.7159412 4.07813e-08 12686.60396 18022.41465 16754.60124 9524.186985 19255.23749 12227.82352 8439.702311 5082.29968 2433.674095 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 57.20555126 12253.59196 14796.17296 16742.38522 2126.045681 9252.939098 19004.46445 25012.97073 6706.184162 10210.94423 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44.36916086 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 182.0023705 14227.19931 4.07813e-08 17562.39281 852.2277842 Prolyl-Methionine 6186.380847 10218.25412 4093.268064 6090.346496 4494.35611 2948.38528 7869.629641 10401.55808 12552.29816 4.07813e-08 4.07813e-08 20.48149362 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 234.3684216 639.4853247 1772.628821 121.9764252 2471.171677 1105.737722 1115.204602 175.643682 2050.006127 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 224.5986387 1599.060976 2740.94447 3253.801872 776.5177922 1229.116446 1392.078659 138.6188487 822.6000464 1204.745412 3065.707663 1796.261194 4378.667377 7911.281518 4.07813e-08 1055.878028 4.07813e-08 1483.534729 3-methyl pyruvic acid 4.07813e-08 4.07813e-08 432.0241521 101.7482994 41.66622977 3796.372541 106.3089009 303.9638977 206.0902618 33.10008719 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37.37340942 4.07813e-08 4.07813e-08 1770.03072 1029.338901 802.9659489 35.71477831 116.3935712 2513.930939 362.1479353 2935.033471 1582.016929 4.07813e-08 240.3070549 4.07813e-08 273.7789763 4.07813e-08 4.07813e-08 94.37728756 4.07813e-08 34.85329131 62.6293093 738.8959496 1334.309408 488.3665232 1884.078144 56.04313854 2691.90485 6949.14819 670.8230975 15062.92949 785.568849 2223.234086 540.5497658 193.2115652 4.07813e-08 2039.190282 4.07813e-08 2782.116586 4-hydroxy-3-methylbut-2-enoic acid 1056.514326 1484.916959 1615.423172 1788.28683 2989.691856 441.8843441 668.0829857 1338.888097 984.15269 842.7157127 539.4725884 326.3933719 1368.343742 214.8135811 121.0455034 92.13594493 140.2159058 318.3337178 2157.796081 3115.073845 3707.369146 1951.954983 2514.668 1580.330791 1667.240629 2777.70711 3965.282347 199.3997315 166.5341434 1162.519996 368.9001018 683.371477 107.7417231 853.2479989 81.72990802 3082.513613 1951.969429 1814.875248 1985.150255 2516.92339 1750.024092 2422.679633 1560.132774 2749.97498 2498.127686 3342.655442 1421.077637 1929.957536 3171.818552 6029.983603 391.3806571 2616.418609 1010.352528 2741.241325 (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate 432.0667101 764.6586424 1146.66759 1332.278487 628.2485085 436.9856952 368.5437897 127.7176047 346.0806873 507.3021312 287.5875891 928.0946209 790.1690719 601.6948762 632.4763771 257.6886322 77.32963257 436.6873355 2099.948693 829.5247882 3718.819597 1489.672149 109.8253533 316.3167749 566.7051398 2637.354663 613.8444486 1066.14053 789.6426254 608.0873337 643.7691033 748.104519 1211.366468 650.2568894 337.0930807 869.7994176 1451.876459 1302.074299 2748.155755 1965.523919 929.2069931 633.7239612 4.07813e-08 2814.057423 2344.818902 194.4474444 280.261297 1194.39378 1613.983401 3504.511031 447.9192441 1309.551491 433.1473729 57.94296323 5-oxo-pentanoic acid 724.9918565 868.9235141 722.8146815 1045.393923 1383.494277 783.9813718 1132.728801 1190.712454 763.1898852 370.1585516 387.0393074 89.24043014 706.2489879 119.3578401 93.08224761 4.07813e-08 4.07813e-08 213.8521863 1802.617089 2189.15989 1912.219182 1476.611399 2312.159496 1974.075086 2157.800519 1854.659025 2088.993475 425.3416957 164.0557758 116.5008837 4.07813e-08 177.6623526 101.6579802 473.3567358 4.07813e-08 92.43192269 1275.366065 1585.402098 1329.428191 1799.033801 1422.542378 2382.780726 1668.998499 2016.803615 1961.144648 2209.003224 1593.463702 1319.800238 1782.80137 2332.995373 343.3247551 1876.439321 383.2128565 1872.367554 Pyricarbate 4.07813e-08 372.5294699 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 120.5879221 188.2957655 4.07813e-08 7508.692778 10539.5208 13694.89885 9058.449154 11875.09048 5776.6571 9802.162612 1967.644721 9834.181142 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.53840357 4.07813e-08 4.07813e-08 2960.905284 6354.589774 18381.54307 4000.45554 6464.404567 14374.82634 7076.384451 2870.556989 12429.79068 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 396.8932595 12612.46533 4.07813e-08 4449.58403 230.1436111 Portulacaxanthin III 4.07813e-08 249.2068359 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 123.241242 4.07813e-08 15758.96116 7223.029774 4795.769169 14928.97611 4629.565958 9904.256337 6085.482751 17079.58248 2197.080476 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.118276921 4.07813e-08 4.07813e-08 4.07813e-08 16378.95233 10261.59802 3206.953491 14145.04749 4161.137925 4336.59639 12069.8732 9389.972046 3225.837907 4.07813e-08 4.07813e-08 114.0415721 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2826.451614 4.07813e-08 2611.059758 31.04627815 Primidolol 2790.648319 3324.029873 2375.31932 1762.945407 2100.469728 1252.368147 3068.91003 4453.344206 2850.158693 5771.607871 3683.741424 3891.592394 5214.604858 734.0260934 2723.560483 1455.016228 1274.724418 1457.269641 578.5174053 270.5231306 1076.806767 217.4989357 448.9352385 558.7460839 645.2191353 858.8491565 836.4814536 3696.697232 3456.234922 1991.469514 2320.414605 2413.178439 1888.255676 4451.511852 1980.398397 2219.232271 496.9551245 1033.829892 1086.461786 713.0931595 719.0506478 605.1646231 242.2025829 361.0189732 308.0092755 103.6148403 816.5178475 846.4022719 2246.864498 4069.306151 2636.145455 1437.66197 3019.114011 686.0991207 Alanylclavam 1837.619201 5015.104278 467.6058999 1222.797781 825.5935274 249.8303239 1485.064814 2768.531532 2910.33062 8842.38311 5288.070782 3349.801447 9720.116312 3000.056224 4420.180864 2378.891111 3821.427375 7180.496682 132.7057319 239.0448593 770.1597074 189.0596942 268.2721814 186.8203321 432.8333656 934.842127 714.5530466 7136.257849 5724.874994 3719.929706 5165.361871 6028.088584 4227.593485 7012.148038 2604.069123 4653.014622 2471.401238 472.1012705 483.639529 303.3894027 248.2300969 565.0758725 250.3875721 693.3910179 158.2609693 4.07813e-08 355.3917578 567.850586 2048.362158 3694.222693 6218.937495 889.8619402 4982.694937 224.7449366 Heptylmalonic acid 1479.588362 1551.697741 1541.660157 1469.953787 2133.614201 992.9004356 1727.905986 1028.390119 1036.713478 1077.902217 1572.403986 703.7271059 1251.187878 417.9184885 1062.252759 218.3307995 196.6514669 1120.273901 1994.899655 2240.849431 2612.957907 1562.020145 2733.51363 2420.510702 1799.624503 1788.382636 2417.597314 920.2475198 1154.590358 539.6376269 805.3286859 831.3838618 920.6364749 1372.96328 257.2316776 637.0763199 1501.846725 1596.141016 1043.430748 2130.945651 2002.99496 2404.467209 2762.394172 1633.175753 2143.877422 2655.88531 2034.318713 1971.955898 1576.593558 2115.542949 1259.746245 2163.168422 1013.935551 1337.670933 PROMETON 38249.91631 32236.0156 30054.61371 38908.10855 32323.84337 18947.46219 27437.23842 40305.95827 22678.45179 7534.287925 7402.773237 6605.618747 9171.669696 7899.552601 8903.666849 4513.013081 6916.944459 8848.613003 41114.30881 23305.20199 58663.76696 66713.70443 38798.45032 1376.054201 50416.74521 59666.19767 8951.068762 9972.30869 10365.70878 9516.675064 9126.948129 16961.04757 8881.534611 12588.83033 6032.31475 8498.832323 67138.81451 36942.46419 65565.24143 14524.02916 74020.74599 95302.48335 1679.844125 43528.24719 82287.02656 1200.467496 5377.578826 20730.61322 42037.73001 41845.74587 13743.54019 16532.45478 6410.317666 18201.4619 Miserotoxin 287.1966951 1134.694998 143.2803136 451.030394 141.6881861 193.5024885 514.2813502 592.2672012 401.6549686 949.9297268 723.119608 1596.481963 684.098647 241.2573006 760.1866501 978.7523482 5914.18837 194.8609778 479.769388 282.7109435 213.9853774 84.13570667 235.5150546 350.4753632 293.6183553 242.9159761 174.3518091 1128.702841 547.6580049 3896.758543 588.0737617 535.865268 1571.055278 1574.84099 2585.594084 158.936886 463.3016681 181.9219781 133.2481081 27.29248506 313.614178 478.3890205 137.3898561 4.07813e-08 444.3426453 274.9938673 118.4028254 328.5343103 419.6304723 249.6527618 2783.366656 354.1401375 1570.406855 25.0192004 Histidinyl-Leucine 6493.846804 4645.797861 5560.543595 3361.086386 3851.365402 6268.900321 5671.724242 4856.768436 4672.709215 1742.65228 1658.064444 1324.030929 1843.038406 1103.405654 1720.058356 720.6885057 1068.708158 953.7723342 11098.88311 10083.5546 8347.525659 8076.458755 11062.56346 12779.97095 9676.826336 10169.47349 13046.57706 1505.263607 2202.746918 1115.458722 1268.6013 2006.308808 1463.648541 2196.705685 629.4527892 1073.139273 5808.402564 8706.547709 7291.821878 10308.57969 9933.622659 10147.58747 11002.82978 10510.38409 14160.01202 8506.779725 6301.850742 7128.033705 4999.048246 5039.598699 2414.563968 6262.833333 1819.113468 8715.207411 BERGENIN 72.16248064 4.07813e-08 70.71682951 187.6483101 12.29523776 4.07813e-08 156.0386072 0.173441859 89.23789972 14501.20788 11020.08541 3471.529623 14634.15358 1509.809208 8370.794896 1512.724194 7760.031747 14669.38564 117.978 30.79655985 320.1740226 4.07813e-08 0.818651216 4.07813e-08 349.8230726 0.465335171 110.0918551 16657.84209 13285.91845 2545.581342 8714.078028 18581.04266 7278.804916 18967.26405 1755.497146 3241.24557 339.0349606 20.53459808 125.8304911 8.15626e-08 17.87777505 189.1898064 2.131012568 1.470576949 10.51171003 4.482682911 131.4296389 158.0688936 413.3622121 754.6798588 22253.21497 177.2166252 14302.03271 146.3300255 5-Oxoprolinate 358.3348421 228.3415693 683.6871289 524.475414 609.7395828 514.7414705 130.0957546 928.8128634 757.0953509 268.8920449 645.846621 654.3585513 530.7139251 608.4844849 207.7207734 185.4784087 328.3278509 414.3749324 1297.996408 657.4459137 1634.54251 489.2659577 340.871369 383.4374011 522.2694119 473.2553165 4.07813e-08 733.7286739 646.190482 318.6441261 791.4066523 558.6377713 240.8046172 696.7132996 530.6915149 650.3403575 1025.1689 88.52893268 178.5960551 33.70873929 724.3932659 638.7765572 208.2855969 514.398192 275.7212322 4.07813e-08 443.8590968 385.5257103 614.8961094 194.6760394 622.1435768 501.826025 74.48513884 397.5083538 Chelerythrine 3046.183729 3488.463743 2756.811097 6618.028669 6235.170629 4875.765345 5110.213824 2994.312597 4639.694705 1695.804814 1393.997471 3372.636717 1454.63004 1208.251432 1338.126517 759.4003818 3194.946473 1393.172611 6909.972384 8593.520611 8810.727161 7438.157318 7579.229806 6778.78366 7296.062539 5893.89891 5025.423639 1512.013891 1553.847749 7319.766706 920.8699074 4055.075008 1898.704836 1651.943111 1661.784166 1034.927621 6644.20792 5146.642136 4546.237542 5438.713574 6909.63749 8671.360266 5596.851703 5132.206622 7924.825672 6296.963614 4798.315846 4792.521491 5151.474095 5242.524369 3008.789616 4151.606356 1891.986267 3328.179086 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 676.4324422 3600.58029 128.7354355 725.9459788 267.2464583 873.8572873 2320.629609 3936.05864 7121.873026 54691.40299 41921.20244 32143.53565 48641.40648 27324.33481 35702.28192 15335.68846 14605.94312 48341.20437 4.07813e-08 4.07813e-08 111.7993481 535.8990137 4.07813e-08 72.13868085 377.4957923 4.07813e-08 4.07813e-08 46249.14433 44797.68674 24831.36977 38847.60034 56562.43628 47510.52715 59631.60447 17345.63131 26477.60122 7195.831788 4.07813e-08 397.9828237 222.0839943 57.53722207 4.07813e-08 4.07813e-08 84.17660244 34.20271429 4.07813e-08 1510.199969 106.5771002 2086.932251 4183.95845 65835.9255 1111.621075 49559.15539 802.2377598 Tyrosol 4-sulfate 377.2132264 1394.218929 408.4305656 320.8614239 257.3147514 161.6625234 464.499417 233.7161076 104.2324134 2646.088282 3082.808 4594.831932 2919.184098 7578.016543 2095.630396 3640.097583 3481.892641 3838.705961 343.5424186 916.1078239 438.4861438 735.5946707 232.357372 603.3916686 430.6555352 623.4549894 952.2351186 7219.454143 14144.43202 5171.343135 3523.872747 7140.971679 4195.384593 5813.816113 9941.755329 9481.199089 462.2888389 743.0447826 417.0085753 389.9779954 652.5939845 307.2547353 744.595313 595.5328597 586.3556722 566.8581426 147.0020349 603.9238178 532.7497761 785.2578847 9823.260237 177.1828957 5172.0298 493.2605168 Alendronic acid 416.3991251 78.71524218 808.762162 473.9413016 585.1307554 378.6003262 225.7448169 364.9648301 261.1461659 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 710.2335976 1259.340209 796.0716355 635.8304389 564.1825833 4.07813e-08 487.0402058 967.0950079 579.1964216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 501.8161117 717.0367327 690.4326689 313.0206633 1078.843624 668.1029444 57.59337013 567.4777166 2056.654679 56.1881821 276.7166661 452.0871217 336.6121677 327.6943105 4.07813e-08 766.1527714 4.07813e-08 400.5021012 Portuloside A 13957.42668 13384.95096 14069.64553 17492.01842 18930.34347 13875.12165 15778.3503 15443.80754 14922.05963 9758.165271 6903.517097 8404.203715 10496.52169 3419.149995 10105.86979 4109.938633 10672.09371 10433.46786 34246.59839 30973.36565 34921.53786 27809.22924 37896.65457 33689.97688 31419.54369 27286.3291 31453.88098 9662.092184 7392.362111 9282.561677 6480.811754 9599.335208 8666.896881 13551.87272 6718.585758 8362.878986 22467.66866 22529.03094 22949.68222 29248.64363 35327.76251 34451.23513 30203.08798 25775.51503 37806.34398 37598.77986 25391.58015 26543.46615 20354.63789 24090.33079 15875.45562 23796.66657 11051.73296 24620.72526 1-Aminocyclopropanecarboxylic acid 2001.007621 3286.993832 1660.415839 1467.556854 1837.867836 1355.585959 1944.339342 1870.774217 1818.533426 5101.646612 3478.09213 2615.186655 5224.954757 2176.214498 3325.877971 2026.434626 2410.184358 3681.748468 827.3585956 454.4434831 2202.49971 985.2059943 1028.853773 143.2286292 1340.347389 5842.194819 817.5852968 3482.803508 3548.305462 2225.440381 3078.903822 3464.00086 2684.280929 4080.097701 2180.102266 2381.687055 4345.391103 1753.930336 2642.106024 262.7857581 698.7213631 2385.86931 102.6404837 5050.664558 1906.722977 123.4486152 768.3552919 1225.41706 1821.619654 3242.965446 3236.368576 1119.74618 3092.040321 751.9127668 Dihydrogeranylgeranyl diphosphate 1072.872181 1595.504552 1282.429461 2642.475509 1670.819047 2177.726733 1107.607555 3393.493592 5911.254046 1787.760245 781.5940594 3202.866581 1557.282775 550.422372 2192.725724 374.3157141 4309.015847 3468.042906 1697.393611 4202.565396 5810.875496 6742.951911 6398.701995 4006.70821 4608.84163 6624.194936 4590.606672 2072.536123 1675.775445 4856.666349 1226.083671 1310.223602 1304.584957 1153.411933 1899.541581 395.4693717 2437.652271 1993.446866 2558.332523 5674.243462 7237.7195 6030.018958 3576.867331 5930.652951 5276.029962 2506.407544 4508.662768 3428.149908 5372.522263 3113.939896 7486.44873 2730.204347 1654.160244 2715.854853 Ciliatine 351.0657972 284.8884439 342.3090786 721.1083178 276.0418816 50.70160552 183.5225219 4.07813e-08 163.2232038 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1101.729069 642.0515046 933.6089655 1230.470135 222.2634919 333.4923898 351.4387145 148.2014256 208.1949177 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 245.2426578 392.9168554 369.4103758 421.0739198 1321.973985 473.4100811 534.3188938 308.3251695 1221.967369 4.07813e-08 163.4301255 95.10237512 57.21070508 169.3438596 4.07813e-08 81.48500355 4.07813e-08 4.07813e-08 Eflornithine 10973.57027 16931.30294 8041.443312 7328.983559 5071.364054 8119.002116 13359.0668 19249.46316 21605.5986 6359.203932 6744.967813 4402.028492 5383.642785 3426.080072 5882.401711 3627.789988 4709.916906 4585.828749 3709.496296 3358.349982 7518.437058 3730.33778 2496.640431 2693.896622 3004.053338 9260.281868 4011.168588 3715.497966 6458.812996 3999.055716 8436.718729 4886.649657 6145.692907 8769.412856 7455.302014 5041.430936 5086.198059 3688.214419 6055.755302 4953.189292 2660.337017 3019.150709 1966.237225 5073.158932 4911.677306 3048.248202 9379.330063 4958.023536 7395.160513 14153.4898 1740.789163 5273.912133 4396.943081 3807.677639 2-Ethylisonicotinamide 12336.12649 11781.82334 16501.2581 16938.9694 27436.64366 12174.71708 13978.79382 32368.74039 19067.1337 851.4546104 672.7782224 404.2944097 1430.615016 339.9872516 708.3492532 4.07813e-08 10.89580502 799.1456271 37578.98337 27569.52527 34427.9254 25705.30806 18494.10503 16159.47019 13807.48617 16509.33914 44382.72836 282.4750063 529.15456 867.402 579.5976443 750.8706855 495.40004 1105.55725 117.5475077 1261.186047 14202.87066 20395.57225 19543.90999 23151.63362 27009.49645 26389.87674 13257.73636 16363.35854 39128.08021 11868.92814 10996.87951 14111.49943 22918.02009 16053.70918 1286.542144 23839.71227 701.0330182 14417.43005 Graveolinine 3764.728063 2305.594367 3991.855223 6036.645354 6397.546401 5365.161509 3193.147616 3116.702021 2134.640514 929.3054644 197.401979 246.6177412 925.1387759 14.91528998 174.2142686 264.4372821 75.43205674 104.8879547 6469.541938 7305.546656 5232.775654 6097.647217 6157.600585 5501.959344 5206.292443 2193.590273 4891.980647 386.6637439 613.1555301 304.826893 625.1899272 860.4402039 170.9931096 752.4953754 106.4931089 64.72720447 5220.576465 5140.110146 3886.211256 5207.866196 7891.014359 7777.692579 3856.520873 1687.225843 9170.805319 1404.060881 2202.744224 5122.249151 3887.576681 2959.484803 450.6657863 5387.670517 151.9442576 4874.175912 Anguidol 2422.482531 4593.333873 337.1459389 7366.849789 5762.943085 4600.847181 9861.130431 5194.783031 4157.661334 8266.386397 4.07813e-08 4533.830005 7460.772767 4840.966625 16393.98534 5378.795051 2646.30754 14830.60499 5284.643114 2252.100193 2895.800652 8909.280718 6854.306053 7799.061056 6870.550751 1230.508257 2931.702668 27900.12033 49.60207863 8678.206658 495.1741941 2283.478054 7296.76485 6468.744621 1931.373277 8892.5471 5084.670261 4696.139433 271.9635207 5521.899425 8756.439956 6348.00712 6774.782482 2059.494541 13840.50624 22141.4039 741.9043637 4418.755209 2344.410071 3225.574287 3417.439318 8469.786464 4.07813e-08 3320.539246 Acorusdiol 23595.44437 17892.18415 20979.68491 19102.9278 28601.39863 25645.75374 22091.62785 23644.65691 24619.96522 3638.582265 3147.346149 3079.6613 4330.521027 3483.238182 2899.328154 1114.48018 985.0490966 10056.90477 65001.2089 57025.55148 53351.51966 52101.44734 68307.546 61620.7368 47838.21773 52200.83825 57045.14093 3059.141677 6368.544484 3555.044107 5522.815188 7557.548907 4051.344569 4569.115048 1892.142607 7327.552081 38149.5709 43798.40906 43695.34069 48378.70273 58168.4194 60387.43576 60490.01739 50666.17984 66239.32167 57422.00819 41180.49582 44471.99572 34299.22837 34075.93459 7141.570713 43867.06063 4450.526165 41583.85428 6-Acetyl-D-glucose 1668.360997 818.9563936 704.9863664 1089.913983 604.8385395 913.6982535 976.0774452 905.8398321 630.2943381 4.07813e-08 61.48583354 390.6808224 4.07813e-08 102.8414182 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 853.4634444 1379.395294 740.0338069 784.3257826 867.1682643 1082.793465 1043.425125 987.4493608 1000.619295 295.212308 699.6493687 2064.602399 196.0569669 348.8193476 4.07813e-08 887.4290538 367.5719037 4.07813e-08 557.5942148 1110.432949 802.2995558 736.4910377 1010.249808 1112.105342 1075.664836 978.5901947 1114.941657 823.4645227 646.0534751 716.8161503 425.6317098 302.2188866 68.70135833 735.2103069 773.3033716 981.3134189 (-)-Neplanocin A 4.07813e-08 2208.011393 4.07813e-08 225.6750997 4.07813e-08 4.07813e-08 587.4814292 4.07813e-08 4.07813e-08 8367.920688 8065.392965 7640.355505 9114.692674 6614.532034 6090.037542 4058.373578 4117.641551 5392.284323 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6350.32891 5983.90808 7422.246094 3686.617545 7659.473979 8109.102817 7167.964178 4138.305851 6485.259851 3720.70141 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 185.8029612 1025.943602 9634.238745 228.175177 5359.515884 4.07813e-08 2-Naphthalenepropanol, 6-hydroxy-a-methyl- 849.0019285 1690.06103 954.0626828 941.9445709 138.7875174 621.3085724 714.1299815 3251.559397 4765.195051 352.3745423 456.6519988 596.7017679 682.5705392 269.1914351 91.04202225 4.07813e-08 1030.655076 3846.104699 51.21218143 101.8242715 1097.136603 3536.768376 4.07813e-08 4.07813e-08 4.07813e-08 116.0000729 51.16772778 282.662366 631.3259476 806.8463959 898.6506135 840.8121876 348.5894954 2528.374545 20876.22891 2227.704251 591.9328732 116.9147662 57.44597742 242.0563571 60.99654464 64.50450827 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 157.530966 193.6920384 498.6924584 925.6487408 686.7537506 588.4881472 1577.730258 269.8935544 Nitramine 9927.143041 8483.330662 9722.596679 8875.679236 9038.4117 8408.741857 9238.696473 9187.387564 8601.382297 5956.878142 5824.446131 6120.196693 6034.85999 7664.775267 5551.503256 8090.670173 4750.827651 7572.224764 6494.23829 6631.447119 6458.396902 6316.805272 6662.294757 6277.892456 7736.278812 6456.572499 6190.59524 4725.707703 7179.505067 6153.934397 8431.303502 5998.371392 5934.497383 5519.404791 10393.5671 7680.914402 8090.180247 6833.747553 7607.671825 5824.385627 6695.895735 6219.465198 7445.954623 6209.44178 7126.550605 6813.784773 7189.744174 7458.271635 7059.657727 7860.819122 4547.998241 7469.050888 6167.692085 9177.264691 4'-Methoxy-alpha-pyrrolidinopropiophenone 4.07813e-08 1299.537944 147.111398 72.18553537 295.4378504 4.07813e-08 269.0367954 489.418492 280.1904095 8567.621085 3610.682396 7611.265762 9111.946914 4669.708384 4229.271841 5352.384462 1992.331615 7044.676402 181.2039914 59.56722355 407.4011508 188.0342305 4.07813e-08 4.07813e-08 285.2189329 352.8596658 145.795208 4202.872397 6366.149056 4463.762015 4773.549718 4308.306925 2277.608755 5439.83389 7111.197222 6065.677247 997.5117078 168.0132418 9.432966513 178.2200793 256.7943597 374.417733 394.633445 345.7253949 223.7723093 86.29604908 64.05144544 379.6171198 486.3949853 1205.655795 4482.242 194.8381286 2367.143575 246.7179921 2-hydroxy-10-undecenoic acid 5246.54806 4062.168213 4630.729952 4386.237681 6403.635418 4076.334888 6319.668201 4429.759218 4291.972423 2487.077433 1896.550084 1554.363821 2258.81888 1722.907093 2398.582147 1203.454334 1606.665408 1733.194832 4618.111671 7270.999204 5925.730795 6027.856669 9742.203546 5316.712313 6623.396481 6139.047727 4927.858729 1591.873828 1720.956132 1468.11151 1730.179742 2067.861879 1452.31885 2058.795833 1009.65715 1629.530098 4266.685327 5269.108638 4585.407642 5478.227882 6209.988557 7478.018403 5282.473052 5647.158021 4422.313617 4844.86423 3880.607083 6280.351808 3678.752588 3042.232191 2130.665723 4875.654147 1852.835499 5629.894725 PA(10:0/10:0)[U] 40.70215951 2751.409369 26.19005605 736.3516883 40.10202903 4.07813e-08 4.07813e-08 182.8382736 20199.76598 24416.55319 8512.117248 218038.8344 23492.4568 2284643.036 221048.0011 190895.2676 4.07813e-08 459357.489 4.07813e-08 3037.471694 0.000137453 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1596.975609 318.5873362 733.6556572 13284.9805 1316.616021 27408.14922 11359.5372 1320.517546 6974.053774 748.922143 9350.763229 133.0346075 313.1906626 4.07813e-08 1.430490536 0.010634263 4.07813e-08 0.001979357 1498.184754 6.29699216 4.07813e-08 11409.58972 8695.741844 36173.0907 7741.012265 77692.87096 1130.745026 7746.660807 1348.10324 1-(2-methoxy-tetradecanyl)-sn-glycero-3-phosphoserine 164.7846814 151.8130738 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 92.23037114 507.2922992 1613.718112 2446.880126 1802.770091 36901.01463 2182.118176 252392.2042 37341.43648 25810.05154 23383.45302 65443.64155 149.0482556 196.7931879 85.69898327 260.0806348 192.2545987 4.07813e-08 71.59053307 107.6258429 4.07813e-08 29418.82053 1544.563521 3128.641104 3196.204751 1696.086378 486.1307053 416.7596702 19293.98073 1349.378723 139.084225 93.14289414 4.07813e-08 141.2773406 267.4731385 102.8849073 58.10152205 4.07813e-08 57.13010135 678.3785815 2111.528231 458.4975409 5455.62747 356.5200507 10543.0492 4.07813e-08 1282.040186 190.5139478 4-[(2-Methyl-3-furanyl)thio]-5-nonanone 19628.19662 13358.49474 25396.88821 13515.26795 4634.421918 32174.44296 25973.15982 14465.91806 10571.74808 27411.16201 22974.2889 14634.88274 24389.43713 38559.83421 19252.39196 29305.53213 50493.98016 5940.539368 37456.60962 33711.59375 46130.32069 37181.27119 46639.84639 65641.64286 42327.3033 18552.14735 12685.98842 29720.67537 40572.71632 10149.27248 23644.82486 18358.203 27135.26109 30149.70021 40751.1799 9767.620026 30866.60685 26998.78598 45643.07485 22642.21001 39792.27366 34249.59734 59282.83325 14914.70908 76054.92221 31505.90383 35437.15948 23492.01427 29299.49748 12724.30293 17670.63718 22643.47356 12096.41496 20599.25877 Isoamyl 2-furonpropionate 1591.006819 5347.057282 4958.473926 3055.522248 10911.93537 6220.065212 10096.78391 3193.770854 7487.632737 254.5743052 4.07813e-08 311.7424806 252.2694909 152.2981469 237.6114691 243.2791674 134.32378 2852.700174 1316.777743 6896.698682 4407.454611 4305.883339 14288.62378 7512.675095 9670.396401 1354.880558 2660.785689 4.07813e-08 4.07813e-08 3.401212043 4.07813e-08 4.07813e-08 4.07813e-08 118.1415619 4.07813e-08 4.07813e-08 784.2931182 2255.61438 2349.592591 6998.925802 7169.96394 6252.254743 9813.301751 1885.012901 2908.641366 11845.12513 3755.705868 2635.240349 2091.134139 2571.922334 4.07813e-08 2671.794533 0.071494592 4728.455832 3-hydroxyarachidonoylcarnitine 4.07813e-08 551.5644531 516.1413575 597.4417413 374.9039055 229.9520926 885.463048 431.8219374 95.29052896 905.4333912 4.07813e-08 6423.957125 950.166 16902.25859 12928.93521 2912.418939 8802.309293 20918.16335 278.3837781 594.3305509 342.1122667 515.1772087 779.5500785 296.1293936 1013.669862 4.07813e-08 388.4113512 3278.781301 241.2653145 4.07813e-08 1473.237552 229.8094321 67.22232701 574.214557 2412.679642 221.3235223 92.18876834 631.745744 93.66925308 620.4217275 795.2639664 186.7294895 564.3438499 89.33612121 420.5659128 950.446498 467.8774051 279.2009843 1796.261052 104.6264152 1045.882891 101.1606121 4.07813e-08 97.90636123 2-lauroleic acid 15492.72615 13659.00416 15165.7422 13042.70588 11693.38761 18338.43481 20933.61575 8072.45661 14249.008 3789.5364 3617.723177 3117.578853 3065.330319 4041.882213 3010.273329 3186.876087 2568.741 4077.301529 13424.42703 18168.97469 16141.529 14643.69961 18257.34467 27362.30179 15302.46224 6428.775559 8745.296355 2605.441968 3589.29872 3392.266965 5633.941197 2838.277953 2704.809843 3687.808896 13194.47889 4083.532479 7822.804656 19768.55656 12221.83938 12982.89858 16808.86012 13584.06177 29992.94643 7001.267122 9066.41534 17452.62252 13930.44677 17750.34493 12265.14648 7501.120921 2466.314869 16315.83116 3406.079206 12678.38486 Valproic Acid 3273.485058 4395.306168 4315.795114 3539.758029 2295.193539 8712.141764 1911.442436 2847.165179 2238.861672 87.0904576 121.4810004 97.63744048 300.4972651 96.20759902 79.7638595 4.07813e-08 268.3018113 112.7013166 4676.84484 7840.295706 10610.93604 4578.04205 5228.253983 13647.15486 3087.835282 3676.282653 3617.476944 224.1031544 478.2667589 4.07813e-08 584.0265632 380.3309955 169.9705335 795.2590919 4.07813e-08 4.07813e-08 2844.610181 9370.051486 4474.755937 5104.439683 5751.658089 2694.42935 13450.79473 2440.50352 3174.313665 3050.378693 8286.696133 3666.691366 2915.998567 2498.295136 143.9810935 2910.529382 593.2694659 3583.161093 5-Sulfo-1,3-benzenedicarboxylic acid 110208.7561 99547.6152 102416.374 106592.0364 123008.3847 69080.69548 93026.26247 85133.70187 90789.86936 34347.79572 25970.84624 56341.05357 47038.34949 54528.92026 45576.42894 19704.44328 63987.91022 54579.6318 32532.22588 22034.59653 37259.50492 53227.0187 49106.9043 38222.49537 39797.50607 37110.28395 36862.72908 35002.97017 61500.70649 47814.31149 55252.47581 45497.533 61074.47728 43371.68672 69106.50918 47329.87603 87223.43921 48336.96997 74972.48329 29096.93394 35611.0505 41879.90742 37608.00606 58309.82424 48854.35903 82617.88195 66753.13132 69951.9176 91550.07153 82754.88126 37279.93166 88204.70884 40395.88565 106445.8528 gamma-Aminobutyric acid 4.07813e-08 991.8944089 242.9048571 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 909.5653224 1091.074445 333.9848393 4.07813e-08 209.9060899 300.0956137 133.0612351 289.9379544 4.07813e-08 4.07813e-08 286.2975873 2115.393095 1320.244088 545.528854 595.104484 1084.707674 2070.35742 1614.517564 495.2718392 1569.837274 554.368761 442.8531181 4.07813e-08 392.2066906 187.0358037 290.8662305 525.1277478 4.07813e-08 4.07813e-08 111.0754633 538.4221022 904.6456763 1263.107549 1661.969544 348.5961234 1859.653682 1422.844417 320.7271199 836.1503541 1285.681225 337.181928 745.1477337 1550.103627 4.07813e-08 1117.891836 4.07813e-08 4.07813e-08 N6-beta-Aspartyllysine 1406.384655 2474.07091 1718.990288 1.239046201 1801.604175 1114.544913 472.9972136 2383.040758 3032.812648 29263.71409 30561.71627 17461.68726 34268.86559 14406.2106 18103.17169 13777.00207 10777.13401 31199.69613 2821.742821 2441.949353 3359.769341 1700.185206 1694.530635 1970.999107 2012.767277 2514.846409 2443.08554 36185.52657 25439.94272 27001.42687 20200.22703 42965.49533 22909.70148 23252.51328 11086.26427 26497.78649 1907.47201 1886.003172 2672.766954 3108.508042 2305.610613 2181.860441 2302.012396 3151.543417 393.5662553 2838.90272 1190.603138 1654.60113 1792.731995 2652.171912 34221.46806 1354.336056 25603.6636 1921.083308 2-(Acetamidomethylene)succinate 7555.121163 6820.446862 5867.558797 4988.888537 5748.759424 6567.98187 7300.902186 9015.95965 12702.98281 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 394.1704301 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1623.635687 1336.610976 1670.45357 1037.900533 1912.861298 3677.311523 2278.338248 2515.568779 2597.180172 4.07813e-08 4.07813e-08 301.2148774 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 503.533945 563.1351563 1364.013999 2690.697074 2273.307705 1952.905668 2860.494116 6408.004548 2631.474295 1108.936084 12571.13206 4861.652913 5546.438998 2145.429735 1973.687044 4.07813e-08 7616.287969 4.07813e-08 7298.674256 O-Succinyl-L-homoserine 13530.64431 40362.32034 10739.08748 18436.10379 15323.44508 11172.55637 22403.534 23180.85105 15734.37879 72365.79392 53402.02895 51183.53842 67526.69561 50975.56774 45903.57323 38707.9736 12302.06394 44070.9446 10383.69387 6240.765428 12499.36643 9055.834705 16156.29024 7056.048099 10649.70504 8219.669241 12200.04943 42524.65325 49986.0605 45698.32267 45242.72832 62221.21156 54473.40932 37028.48602 27927.32562 49606.92375 16662.93376 8669.211467 9471.713906 8510.756621 8638.806335 15549.31325 8979.266552 10075.03218 9598.747196 8669.220047 9661.924972 13458.98764 25428.95822 43657.9749 55576.03517 26720.69968 48353.40242 25552.10403 Formylisoglutamine 1545.45903 7283.381244 200.2387183 1511.320252 2566.219594 233.0231074 2405.458644 5797.258873 6727.531286 77795.39465 77772.15895 67285.83006 85855.15831 65498.48491 62688.09088 50847.55849 31786.96588 81243.82012 422.4159422 351.8686859 204.4812175 238.022253 556.8401754 323.0284133 966.6496444 1145.171955 1167.919408 78246.21609 83619.84036 76002.41267 71698.03929 65291.22099 53688.79694 55555.9713 42485.44835 78345.83641 362.2690488 1150.20657 822.1090762 801.6488189 478.3101972 1791.646085 923.7184027 1235.401019 188.3786034 1551.468879 2323.723872 1159.532055 4910.585727 9273.970701 78467.29334 919.8182792 73761.52167 1004.195614 D-Xylose 16935.25303 31371.7986 19571.6576 25471.73859 24757.07905 23900.19073 19248.09506 27493.60186 19538.26887 20474.21809 12821.88922 6709.914966 15179.04584 9515.190286 10627.60527 5903.687469 15406.42546 13948.21703 19107.12143 9875.529727 14327.00666 14524.41331 16799.69017 15445.25682 17113.39243 10049.90184 20977.14448 9578.965948 12611.8186 10690.67135 12015.42926 10135.30666 11162.40911 28662.17855 5930.699461 7252.244181 21720.1914 15481.52042 17845.54498 15161.46364 21403.10185 16623.43911 15342.01216 13643.90949 15416.513 9060.177137 9843.484193 16423.40684 12910.93706 11735.87039 12960.2002 12010.24599 16515.14525 16799.51254 Tetrodotoxin 818.5302627 2160.907037 32.69347374 4.07813e-08 133.6908663 21.59547866 17.18745532 86.20036286 694.7439592 82829.38768 109132.9917 63073.4136 97408.52084 64492.47715 65493.41361 69059.64995 44687.14251 111375.0005 275.8421567 44.72252386 763.9754614 461.5368982 19.29502098 261.4607495 23.06820962 655.0440425 182.5182467 67497.04404 79670.04606 116137.015 56000.43034 101457.5561 57773.40264 61523.93896 23292.11243 115672.4082 374.9128465 384.5816966 412.3026294 13.92966869 711.9380484 588.2389153 27.41797145 102.1091422 109.6142258 75.66423393 454.3658879 24.03952741 1770.794523 3879.978232 98885.23742 639.0183499 123778.4952 976.3897332 N-Acetylcarbocysteine 14218.10739 12924.54669 13154.54725 14577.55127 18720.14128 13947.4305 12943.34639 9017.80407 14133.53914 5402.037888 4583.086428 5268.382893 9661.807597 5842.185828 4473.729153 3518.103271 2642.931319 8009.730108 25304.27979 25467.99865 22994.94667 22635.01103 23933.91853 23071.30631 25047.53426 21078.44337 23000.87317 6389.51375 6255.199071 5619.969662 5819.853643 6217.38053 8131.782483 9375.860655 3903.133288 5099.079113 16479.91337 19453.62426 17751.34659 21172.16397 22545.38536 25904.6017 18910.70012 19822.41479 33743.43203 23825.10128 22060.78335 18298.70923 16849.11705 13042.46069 9499.64639 18606.02806 5344.751139 18639.28475 3,4-Dihydroxyphenylglycol O-sulfate 2663.488794 4272.994987 3731.461203 4129.343639 3660.867927 3091.106662 2357.153765 2514.950297 2025.898684 2694.160956 1833.185597 1629.480072 3151.236145 1688.735517 1133.2547 1564.298076 592.8017393 2192.263162 2391.543084 3164.025823 2549.085913 3751.571208 4769.102111 2166.00296 3702.115757 676.7236468 1522.643576 1490.53169 1885.705133 2191.424118 77.86845389 1136.960272 2102.626674 2126.362827 1560.674752 757.1732382 2412.717505 2676.281695 1761.319703 3190.55909 3574.710467 4971.008182 1026.588364 1638.357678 3470.098606 2008.343865 1932.171514 3204.108584 2957.748085 2969.100197 1842.140187 3011.032799 113.3167842 2571.511286 Oxoadipic acid 2360.750417 4537.941011 5778.743106 4734.960534 5590.986673 4733.691011 3282.330431 4251.674934 3301.537571 268.9023838 1784.958062 1624.260969 201.983271 1468.737171 7.759988433 723.5487073 1656.589955 47.22313497 4854.034752 2910.157934 4479.353565 4400.269976 6340.284977 4133.354308 6392.798916 4657.4525 5634.003705 1169.249481 299.6606171 2343.542584 717.3822588 1166.395425 2214.954984 340.3245301 1396.166141 385.7482055 3215.227543 5068.568389 4401.555291 4644.08102 4419.580036 5981.283504 4241.726734 5234.013794 5680.401165 3542.639788 4308.83173 3317.776845 5778.610351 3821.445608 527.1088145 4286.127451 1036.848099 3894.852553 2-Methyl-3-oxopropanoic acid 8672.677001 9543.704875 10308.49491 12366.29767 12273.22737 9270.102163 10289.43979 8677.985865 9234.598707 4732.717198 4536.556682 6543.049552 5480.785152 4824.348537 4424.078904 3409.089817 1995.667313 4948.293648 14628.99692 14009.43657 14631.81231 11229.18867 15721.07289 13774.20495 14160.34855 15343.36063 15157.87734 5895.307847 5466.938357 4392.449124 4472.421564 5827.348428 6051.765999 6936.00452 3492.401684 4380.86873 11096.23928 10207.11588 11473.7795 13273.54406 12604.74303 15777.61752 12887.05561 16616.66576 16866.61582 12536.25453 10603.98382 9920.449436 11632.02513 12191.15417 6839.107042 11082.03366 5407.363212 11497.73917 2-Keto-6-acetamidocaproate 3082.706024 2702.94852 2871.350408 3919.728024 3767.073278 3237.151085 2870.315098 2795.018758 2533.896906 1878.598306 1674.932713 1942.378046 1709.746762 1520.350136 1474.456209 1212.947944 803.0410379 1467.985231 4956.602076 5224.487481 5451.56255 4123.507314 7873.237785 5363.331824 5605.637351 5586.586209 4784.764624 1121.007964 1697.673207 1594.918656 1199.857288 1822.846981 2270.411863 1348.388579 871.80277 1643.927844 2998.789755 2725.260602 2971.882377 4781.368044 4442.402283 7081.38305 5056.554223 6393.096889 6918.958286 7051.082961 4267.312403 3655.115196 2984.450651 3285.888526 1726.818452 3646.001007 1798.053263 4197.749376 3,4,5-trihydroxy-6-[(2-methylpropanoyl)oxy]oxane-2-carboxylic acid 10500.26413 15342.92852 12625.34571 14746.12052 11326.74235 11673.66166 13394.1257 13898.91805 15271.10592 28293.28865 37567.42337 35407.92905 34732.64718 26580.38018 25013.60587 23521.91039 9699.568491 17263.18969 12630.00045 13897.21364 11081.63541 11950.72194 16866.51834 12558.04452 11149.3274 10111.67948 17548.99765 19625.28055 27716.45747 22494.93846 17469.19362 29781.13563 37710.85174 23577.86767 11876.67916 16961.71222 11153.6366 10893.17678 10860.08184 11670.25389 18367.54825 12254.64496 12862.37163 12963.04712 14809.41494 13616.85089 12026.39929 11518.10813 11526.77103 15948.87474 29428.69312 11580.73339 36251.05081 15521.78781 Coformycin 8160.791316 12387.01329 7414.537568 9257.354175 8008.099361 8441.205245 8307.798952 9111.714047 8206.492032 17463.37676 16131.31603 12956.39519 19200.9497 9418.804004 10406.0183 7310.589929 8803.82632 12038.48522 12528.55107 11611.59209 12379.05999 12159.96075 14465.07224 10133.86315 12944.80314 10550.12341 11558.46083 12000.53797 14478.43923 11222.28237 10424.06793 13194.86489 11127.24344 17644.41506 8000.89914 11251.76986 9283.274973 9242.359984 8305.219888 11496.74492 9546.643474 16240.5696 12294.48188 10401.5712 12896.154 10378.37808 11016.21189 12457.8812 12026.76426 12036.98795 12117.96915 10964.68675 14863.46898 12250.41767 N-Nitrosoguvacoline 1404.557011 1462.968041 734.1301977 1090.815399 457.5791977 1414.830242 925.2195592 1378.504271 501.3738548 7438.351542 6323.623327 6630.916371 8062.967444 6570.822332 6776.754626 4030.332225 3793.115664 6472.476735 1699.460793 1545.664886 1266.833875 1199.514788 1762.956738 936.5284674 1568.188665 2103.974787 1530.817545 8388.652476 8060.454054 4697.912702 5689.409832 6192.077666 6980.082476 9451.245571 3691.857689 5533.853634 1712.370735 1363.50248 1517.823275 521.3707555 548.2145509 1850.489551 1080.923818 1371.69728 1662.905528 488.3597469 562.3101694 1305.949597 941.0374759 1091.912794 8207.875812 902.5372757 8161.915821 886.1341734 Ethyl 4-(acetylthio)butyrate 7303.74629 17720.16507 9809.838011 6269.830047 14179.46044 10404.90632 8832.211197 20894.08791 22608.42017 4065.609589 4216.89643 6893.516998 3439.878085 7908.183498 4596.152284 2932.975835 3780.034789 8221.711215 13745.2953 21602.84452 13810.8163 7938.69267 10607.72923 15693.41278 11256.5339 49375.70539 38982.65848 13521.86708 13296.80552 7825.324882 24648.82059 15399.006 5612.571558 5353.277791 16916.23963 16728.66139 5059.32322 10067.61431 8652.431312 14562.66605 10908.70989 12199.9565 12805.42076 51226.64383 14398.98022 12983.57325 16202.45851 12531.65488 14656.74164 11503.86681 10168.00216 13766.47241 13644.09934 12394.66182 Isocarbamid 9959.328288 9424.659134 8848.328214 10808.30837 4776.416034 7690.49051 12942.03134 13129.55221 11455.56704 4696.270395 3817.530032 3174.383671 4247.124713 1852.860519 4678.380513 4002.337035 3206.017758 3032.514905 3530.020652 4877.462566 4934.48534 2440.047277 5438.564484 5212.476181 4102.265896 3338.692954 3961.69268 3097.883246 2872.809546 1488.167652 3088.411026 1685.695569 2877.521346 4127.905709 3551.238658 3053.64016 4474.644544 5159.700986 6017.040124 5765.464489 3434.720691 3497.967022 4045.182562 2780.033077 3444.50564 4204.246317 7614.439456 3891.009719 5743.396709 7869.179747 3000.616157 4155.194409 3067.869421 5480.033807 Hymexazol 1045.830705 773.8766876 720.5578789 324.9027503 471.3553918 540.1304873 800.0970206 985.5378102 954.6731508 141.5297723 133.7521206 220.2712633 235.5822024 115.8225681 176.2571838 40.20638605 132.1381822 472.1119596 2687.224482 3006.050543 2244.682107 2354.158739 2832.080141 2796.452571 2500.735776 3065.743569 3280.355862 388.8779369 148.6975855 147.3856247 336.351549 550.6343309 388.9816944 407.6867943 140.9693389 315.2784234 1729.245225 2148.827051 1922.256712 2060.244316 2626.982392 2755.745242 2758.468519 3058.486224 4623.986474 2427.277641 2129.985222 2044.376989 2003.448447 1499.027772 599.3370859 2147.111849 418.2694119 2112.541635 D-Pantothenoyl-L-cysteine 11334.54629 9951.764802 12919.086 12509.71818 11857.54292 9483.590402 12431.83028 15489.3272 16322.64952 4351.740713 3339.773295 5203.293291 5091.217437 6334.859814 7860.300198 5355.010744 7888.676422 8864.89024 36242.89469 30134.02423 33045.55413 27821.60712 27800.6822 22087.42304 32190.68684 16799.10747 28200.54524 11073.09988 7242.863514 10718.91126 10930.1507 13495.20522 7420.423884 13084.94056 5124.281071 10020.678 21484.30722 22825.88235 25018.74039 25966.18597 31017.67615 32750.76236 18759.78498 15287.49668 19166.07475 22308.12936 17259.50327 26874.17218 27073.13328 20640.64713 17419.5145 29136.10583 8318.027787 22199.07411 2-Oxopimelate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16945.11552 9332.380057 1159.670159 13933.5012 2546.328775 1474.964371 4779.272187 3440.849131 1787.964798 18.17039985 12.65282711 56.99752006 4.07813e-08 69.88521433 4.07813e-08 84.79072436 30.25476236 4.07813e-08 1946.807916 623.7673665 7133.618389 693.0613198 1003.569007 2174.176028 20167.47834 2886.013516 2962.645128 4.07813e-08 4.07813e-08 37.93190702 4.07813e-08 42.67547446 357.7022967 159.5489078 0.92322075 31.43878533 58.0080947 22.36659999 4.07813e-08 8.675464027 685.3124582 950.3613133 55.19626947 800.6963509 158.9711869 Aspartyl-L-proline 4.07813e-08 180.365143 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5288.802219 4764.904142 5474.000087 4429.07557 4967.085521 4504.71279 4124.620496 2424.848359 4477.076419 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4882.477371 5410.524809 3696.01089 3666.942224 3040.93193 4290.018067 5295.551112 3612.972599 3797.74911 137.7855779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4742.772976 4.07813e-08 4346.830335 4.07813e-08 Clavamycin F 4.07813e-08 266.905368 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 203.4658148 64262.38707 42504.70219 27947.53732 66771.83607 20230.33366 25853.6387 18706.19446 24836.99241 50417.8521 4.07813e-08 4.07813e-08 20.95744748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36053.70668 38068.98177 21752.81314 22315.66943 30316.47726 15051.69698 29544.89036 19192.7539 24421.87895 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 600.3982781 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1266.343282 25875.29054 4.07813e-08 31520.33881 4.07813e-08 PGI2 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2322.474913 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4981.93286 37273.82586 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33758.43095 4.07813e-08 6892.789205 4.07813e-08 12707.76429 12656.55577 4.07813e-08 35684.58326 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 178.2440376 4.07813e-08 5-Hydroxy-p-mentha-6,8-dien-2-one 4.07813e-08 714.3942934 2401.478391 4528.463407 967.3415062 6288.351794 4573.758138 493.5771557 5535.624222 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 124.3441924 4.07813e-08 4.07813e-08 4.07813e-08 4497.834652 6180.624339 4146.210316 5477.495235 5182.985096 6061.313971 5389.13392 1430.340033 1695.468883 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2441.606935 3360.591425 2196.12687 1119.941892 6838.962792 2314.480531 4238.930738 653.5670086 1766.857107 2690.930056 5378.117318 6444.211838 1540.946617 162.7387942 4.07813e-08 5826.760831 4.07813e-08 1254.187845 2-Oxo-4-phosphonobutanoate 76073.16413 76843.10904 76104.61116 76957.1926 75267.98719 72765.91078 80568.04948 74463.73768 72883.33815 56200.78543 53072.63101 56183.80086 55780.27299 61859.08922 51121.86321 63479.72299 51082.72839 62142.73642 52117.82807 56391.70309 51266.38245 58228.7003 59962.02828 55875.74494 60592.97863 64260.91917 61098.70996 50957.8916 63976.67463 54252.13538 66492.44174 51358.27611 54320.12279 55022.5567 57010.6562 66377.47422 65901.64944 53577.84698 57243.6653 54051.75304 53086.1466 56660.6012 59203.02808 65288.95329 67016.53212 61860.03572 60396.73462 57478.34221 63857.20411 59895.02523 46939.17406 58584.75889 58058.45138 69905.41654 Valerenic acid 28206.05141 26487.1059 28042.5885 28468.91008 30249.94346 23570.35034 22922.83771 25055.07401 25940.50905 35523.40206 33813.8211 27357.49091 31891.48043 29681.71739 20872.39784 33481.98198 33097.86114 34214.95653 21555.75996 21416.42043 20873.206 20686.88587 18793.36961 19625.50386 20936.61801 23483.59645 21823.25988 22359.21674 36794.34761 27624.93406 38623.04386 25899.99514 24563.6174 25414.07327 25173.37494 31862.18174 24533.20253 19864.12314 19907.22649 17377.94047 19023.12633 19531.37092 21409.81027 23830.82713 25398.77033 21603.5113 22012.34782 20869.9338 21584.45638 21506.86718 29739.63877 21468.14558 42156.36483 28163.30371 Heptopargil 16022.40422 17739.52293 18883.41839 18199.94361 18343.46252 12632.13777 13225.29322 13948.3098 15715.72975 13807.82637 16397.97983 14452.52996 15021.0544 17146.82085 10176.41809 16816.04031 11819.63904 14576.22866 12714.46357 14441.26372 13873.03985 11373.04598 10666.24679 11160.19382 11684.13715 13247.91257 12740.07446 13163.82599 17044.30064 11515.7114 14311.55659 10943.26824 12413.18769 11155.69258 13390.06273 18090.83964 17539.96015 9900.044692 10572.86189 10564.33596 10822.8335 11974.43734 12381.07397 15382.30466 16437.67295 11736.52384 11856.13811 11374.81582 12663.76501 11963.04332 11432.61639 12579.59124 17528.54258 18078.44583 Sodium citrate 3958.814245 4109.284287 4436.677277 4830.534025 7257.93812 5225.838866 3946.977982 3459.99266 4864.516055 3995.364135 3857.598519 3042.065192 4458.948519 4790.615418 3983.431531 5028.403628 2904.453114 5062.336859 3814.797058 4539.800115 3659.336186 3389.828194 3231.362368 3824.811584 4048.294005 3723.715601 3904.805917 3532.297622 5042.296347 3462.767854 4904.505655 3519.584035 3392.358905 3434.596539 3024.38554 4368.962515 4418.420416 3127.733065 5676.346549 2619.372117 2588.357989 3682.02525 3666.496398 4738.830652 2303.531456 3107.24956 3529.81764 4354.522252 2885.416921 3498.971824 4085.969388 4390.752194 3901.164894 4665.155541 S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate 4.07813e-08 114.1745263 4.07813e-08 41.03013096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8907.021695 10270.1765 5200.734402 9548.228033 5262.322387 4037.723708 4633.422827 2833.093022 3483.020209 4.07813e-08 4.07813e-08 4.192869425 4.07813e-08 74.87395676 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1141.415712 3227.289905 2408.313412 1060.633092 2457.580231 2727.691074 10091.92715 1035.300737 1859.469361 55.14241108 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.84239992 4.07813e-08 112.3373023 4.07813e-08 448.8705886 1344.308454 4.07813e-08 8642.676277 4.07813e-08 N4-Acetylaminobutanal 736.8502962 922.0942649 1119.559428 772.2756934 833.529772 545.6186406 172.5148971 675.1264793 595.9460044 1157.189143 1098.248417 641.7259374 1221.32124 146.0708736 845.5672435 442.4156457 681.0805931 1203.604232 2747.794147 520.3668039 830.6065653 3227.343097 720.4321275 4.07813e-08 1071.7964 2572.688273 87.77832819 1759.077787 2667.976696 803.2848744 1676.38406 1595.49161 1311.188216 1795.582107 709.8091574 697.2118064 3151.461692 2495.100103 1397.29334 3197.039211 2921.716096 1866.356689 4.07813e-08 2198.358096 1867.214476 92.35654685 63.39478101 110.682049 1624.927936 2328.618325 1221.170163 1559.887875 2246.598789 57.3747189 Bluensidine 6-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 5157.538577 7255.61376 7639.793916 7265.043406 6463.825353 8941.2948 4953.540373 3061.558202 7983.316255 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12030.38191 6838.264692 8757.732666 5087.104474 12377.39853 12478.04019 14423.2108 2683.547872 11443.81875 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11968.31013 4.07813e-08 12986.56713 4.07813e-08 Vanillylamine 977.7831608 803.513234 1015.888744 768.7489702 1090.05902 909.4319089 1081.816 1336.748133 957.2685307 222.0603467 115.0166075 419.0003459 413.2086058 61.0388905 302.1851859 4.07813e-08 43.9436413 453.4397964 2421.847745 2377.27968 2558.77571 2050.565549 2931.823202 2700.282126 2064.913561 3045.09258 3389.680789 424.8785034 403.8334029 255.7144499 315.0054807 378.0464937 385.804336 546.5638862 135.3160686 157.0596546 1521.027191 1605.378408 1544.874288 2251.056848 2011.593883 2239.336046 2571.800455 2978.42094 3212.195002 1853.880699 1345.169318 1530.75932 1388.556474 1654.759736 555.407563 1465.062121 215.8087556 1840.009038 Salicyl phenolic 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 8204.363917 9081.130159 11954.14743 8627.321556 7540.271797 9522.94796 7792.227177 2037.943799 10948.40293 1.027225495 4.07813e-08 4.07813e-08 4.07813e-08 3.683158915 4.07813e-08 4.07813e-08 4.07813e-08 1.110071944 14112.31884 10118.86029 14613.14148 5627.403384 16654.86152 15367.46831 17640.75438 3981.242027 13961.94341 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16065.37245 4.07813e-08 16084.91252 4.07813e-08 S1P Lyase Fluorogenic Substrate 4.07813e-08 6650.50384 4.07813e-08 108.5351858 80.19026236 4.07813e-08 1447.315784 3337.805046 765.8794284 7556.679538 3188.553767 3025.510702 6217.32061 3759.255381 5534.732015 1983.842734 4483.112445 2917.447998 4.07813e-08 4.07813e-08 702.9130864 4.07813e-08 141.3199598 53.91762581 4.07813e-08 4.07813e-08 67.24561866 11254.84154 8896.026599 2820.497558 6060.58938 4110.61678 4000.048801 7688.112387 9877.109186 4569.897741 1057.780307 4.07813e-08 4.07813e-08 253.7529252 120.3003173 113.3098119 4.07813e-08 4.07813e-08 76.08409743 4.07813e-08 4.07813e-08 78.38030663 3006.338137 3996.274978 3375.65558 412.6200537 4023.523593 1282.62589 Tetrahydroharmol 1844.368554 2524.931815 737.9684196 739.2858876 800.2631428 411.2435257 733.0302177 917.899949 1323.695927 5.906640814 469.9890337 0.260448391 4.07813e-08 4.07813e-08 123.6511141 539.650958 4.07813e-08 48.88465705 2766.082219 2382.945319 2175.888732 1815.376429 282.4900975 391.2431737 1067.17347 1403.340446 356.4745148 4.07813e-08 38.76325311 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 84.53181127 4.07813e-08 4.07813e-08 3470.614428 2016.225414 829.8958759 601.7944895 1678.607758 1260.608126 448.008675 1398.955362 962.3616429 151.0063952 92.97058958 411.832249 894.7587656 1717.802814 0.007492558 273.0771468 4.07813e-08 52.00342064 Mytilin B 260.0148168 778.8862151 969.3009179 892.0588583 1723.493916 534.9318569 859.9083248 1219.170234 885.469342 1894.053493 1486.687619 1717.815145 2754.07048 511.9435494 1382.427281 526.5021676 322.617629 1235.230756 2637.786026 2339.667752 2387.720089 1410.878907 3538.264809 2457.771556 2467.964134 2455.50648 2152.760958 2076.953312 1935.2871 1460.672985 1040.825118 2693.953425 1771.091108 2522.209193 384.6756843 1052.992494 1297.935524 1512.274905 1603.157099 2142.751328 2083.289452 3682.592249 2218.616287 2428.624248 2702.68783 885.828587 1399.656611 1558.274833 1838.112191 2795.371458 3608.04897 1606.342738 1656.309111 1210.508393 N,N-Dihydroxy-L-tryptophan 4.07813e-08 4.07813e-08 4.07813e-08 258.9253524 98.88899725 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3507.954812 7553.484053 1748.501153 2605.469865 1542.001357 2830.332738 1359.097363 2971.387297 389.3434323 274.1167152 281.0377588 276.7388222 4.07813e-08 4.07813e-08 4.07813e-08 109.9569741 4.07813e-08 4.07813e-08 4830.059063 191.677429 6946.099153 1438.252951 7108.145564 4613.44288 5689.441524 1187.817779 3314.300454 0.372385898 4.07813e-08 123.0857023 4.07813e-08 77.94339368 548.1927003 107.4388889 429.1501903 4.07813e-08 4.07813e-08 205.5727592 85.05103138 354.7819704 89.62083259 3863.65993 4.07813e-08 6594.606661 4.07813e-08 3-oxo-dodecanoic acid 1201.301389 1273.645149 1611.633475 2045.352677 2679.679948 1153.87755 868.4653889 1303.929419 1963.168258 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2144.078351 1887.680973 4065.192164 2061.800629 91.10920882 2158.986011 1765.955477 2990.083288 1777.617134 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1072.749094 1668.338002 2208.224009 2052.761437 2706.958108 41.85299707 2007.132058 2744.875733 2364.613949 1346.084285 1179.456395 1737.020242 1506.539735 985.9822498 4.07813e-08 1410.802642 4.07813e-08 1072.705847 3-Fluoro-1-(4-hydroxyphenyl)-1-propanone 125.2756348 710.7315114 4.07813e-08 4.07813e-08 4.07813e-08 176.3098758 54.70058853 4.07813e-08 4.07813e-08 396.1595398 355.3741827 1279.217608 511.2899476 4.07813e-08 1013.734943 402.1865041 7241.283717 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 589.3355134 408.001622 3518.143283 274.2046719 255.2020086 1715.724593 1524.175016 2748.330131 4.07813e-08 83.92089492 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22.19262817 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37.86259577 4.07813e-08 4.07813e-08 2400.74068 4.07813e-08 1353.380357 4.07813e-08 Kelampayoside A 970.9952115 4152.653927 939.6578335 988.7570373 949.6533327 257.6162308 3142.233218 2363.057689 913.6831002 36610.97215 27896.67809 21389.03601 38281.29011 16317.4163 20550.98822 10191.9592 8510.033761 17079.6778 8169.621645 9050.37342 8714.678783 5386.674512 8839.164936 7452.72373 5722.069509 6953.123047 8933.395033 27267.13095 28262.61344 14952.1376 19959.0278 32154.56561 20371.31905 37442.12697 11097.91109 13176.89561 9524.640387 6076.116343 4695.686154 7307.427445 8166.919711 7754.16487 6520.174284 6622.893141 13866.07751 6750.213069 4611.936769 4921.266796 3351.86499 6326.852039 34328.29284 4442.691041 27709.49915 5051.807618 Valproylglycine 969.4662462 120.0368472 451.1119273 187.8190761 637.3168282 955.1015238 1691.463744 1303.275031 779.9554039 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60.39701144 4.07813e-08 4.07813e-08 4.07813e-08 890.7709428 3418.822395 83.78790257 137.2206129 4492.205103 4557.828016 3227.560251 1170.021222 3659.947826 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 234.6480692 1351.804276 4.07813e-08 1210.734354 460.1259106 1909.672766 4772.47038 1032.595043 1979.15638 2874.451831 2454.898463 881.6337412 4.07813e-08 4.07813e-08 4.07813e-08 683.0641194 36.77717875 2884.587354 Spectinomycin 302.2587761 361.5878449 12.41740343 43.31330191 133.3465443 119.9921452 32.48576714 73.23700374 121.6786609 4709.20294 3266.045204 3272.919719 4914.852966 2691.801373 1865.243533 1745.019441 1744.824183 2963.026151 253.0559212 59.63902841 319.9164152 5.306918605 238.2440267 107.1212151 19.87961133 102.7593772 186.7535466 3176.24376 2655.669953 2085.678021 1398.102665 2649.719509 2704.946464 3578.939439 1418.546081 2506.774173 161.6277796 249.1124115 65.35993242 101.407813 22.0954316 20.64984756 83.55210652 103.9005674 29.31252564 124.1222015 54.3448188 53.53273466 36.4967323 167.3113962 2901.639045 29.98884119 2543.026208 63.87002511 p-Octopamine 113.4883179 100.3317559 161.9064055 27.38640312 71.05153766 0.098518769 3.16058014 19.1621763 0.220423973 4.07813e-08 0.654981391 4.07813e-08 7.880139379 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1241.46092 1411.344226 781.3996674 975.3525946 1563.882434 1118.458826 1001.643415 1379.852089 1367.433995 4.07813e-08 12.3246571 4.07813e-08 4.07813e-08 0.001327142 4.07813e-08 4.07813e-08 4.07813e-08 3.357196527 454.9765167 952.0171919 900.7764898 974.8301028 1259.903185 1056.41052 1350.748429 1196.868262 1840.892473 889.7871886 695.476859 955.2472376 543.0817904 559.533411 0.5403623 786.5437018 4.07813e-08 939.3192504 Binapacryl 2076.887928 1723.270144 2091.658596 1873.687992 2410.130981 1688.174191 2411.827388 2247.564465 2686.199163 1704.548837 1297.624131 2141.696576 1770.814914 1282.9093 1855.508141 454.9378253 1104.991663 2315.787189 5271.948157 4080.573808 4049.189954 3371.096174 4301.412634 4197.306062 3991.495513 3387.344712 3845.990708 1168.808516 1265.906137 745.151061 1060.736557 1304.047152 1529.204649 1701.910808 699.7279981 1292.504759 2680.426851 3320.7503 3087.517908 3444.707292 3792.389528 4120.481464 2987.507611 3667.646615 5084.431026 3658.418447 2923.271235 3000.298379 2906.501361 3077.10572 1443.981465 3317.112907 696.2375577 2686.850421 4-Hydroxyphenylglyoxylate 93.55306364 809.6099818 77.42154908 654.3050546 324.9898146 80.0917528 47.05860737 89.72470125 34.79149053 1710.07969 2132.115517 3531.202515 1799.856338 2695.064332 1722.391071 2240.221955 1122.310245 2148.83567 18.41288214 4.07813e-08 23.61473669 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1659.594729 1773.712955 3354.959624 1496.731217 1679.167122 2785.919942 2056.028755 2139.914613 4020.529904 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35.17671373 4.07813e-08 4.07813e-08 4.07813e-08 258.2495839 821.3362526 1946.204581 30.6787103 1807.564234 80.46608992 (R)-2-Hydroxybutane-1,2,4-tricarboxylate 4.07813e-08 901.946313 109.0803696 299.1187626 1123.539761 1158.918726 1359.831153 751.3827249 1512.664385 1387.319218 484.224646 4018.435869 2490.910371 1171.137436 284.8616314 190.0303232 510.3404223 325.5589819 31.15636955 46.23581866 85.05525211 4.07813e-08 40.54710067 49.42137054 96.21976339 4.07813e-08 4.07813e-08 2368.964321 3153.300919 268.8302239 143.3759249 59.53429394 713.6954378 240.0696189 36.39119335 3455.352459 33.63819651 75.11640358 4.07813e-08 4.07813e-08 90.3536293 38.14794684 4.07813e-08 4.07813e-08 85.51161237 693.7556571 3255.619719 541.6441543 591.8176389 988.6854252 340.7319652 1229.429279 4.07813e-08 1987.129444 Dihydroeuparin 6650.204905 7171.759192 7375.768762 6765.385971 11767.62931 5178.959931 6672.900854 4241.799637 4466.257553 3248.086562 2889.665372 4452.474822 3743.378585 4702.796608 7775.506655 4582.445005 4599.403985 1835.325558 8948.711883 7710.757835 8101.087016 6721.126959 7389.552867 5763.900726 7284.024594 4490.676295 7673.660592 2889.408665 2296.352654 6415.373962 3019.907442 4563.44753 5106.219321 3413.433176 2727.947461 4262.684427 4963.955821 4777.03655 5241.810404 5944.836984 5879.716046 9902.798592 4847.245276 4258.554134 4328.836237 5626.127329 4909.672629 7782.54887 5974.128346 5533.741376 7604.281143 7343.6585 3245.247315 6421.4705 1,6-Dimethoxypyrene 182.5835446 418.460219 739.2165405 451.2121466 100.3022689 337.5508827 465.1079825 250.7215479 372.5649379 653.5643153 390.8510696 375.1962467 544.4777984 126.3130159 573.9260754 77.94523443 401.8260875 660.8079536 1312.776632 1265.414936 2527.341613 482.5379446 2921.411037 2527.36904 721.7761859 2363.992316 2538.006865 536.8616395 467.8583179 386.7153008 397.112553 554.765646 352.3392776 789.537129 91.56770572 208.9699402 353.2793184 255.4324915 1034.54446 1146.137601 1135.792525 1615.820785 2599.998531 2312.921243 2801.227663 1944.39546 632.8331235 388.361674 434.3447437 1393.775856 713.1066142 726.4494471 297.6772846 725.4487231 Pyruvic acid 2.674154568 4.669067849 3.026385831 0.124901984 0.034403522 0.36372867 0.049058686 1.40563814 2.12971504 127.1241758 1740.809608 83.75478325 12.03895977 106.5478848 4.07813e-08 2181.82744 3091.675009 27.76254359 4.07813e-08 4.07813e-08 4.07813e-08 0.264035419 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2110.367811 0.547703144 1411.082903 1.364779812 1830.372756 1324.313089 113.8053511 1829.803266 66.73503336 0.037572599 4.07813e-08 4.07813e-08 0.029820701 4.07813e-08 4.07813e-08 4.07813e-08 3.352217917 4.07813e-08 4.07813e-08 1.808117644 1.814566914 4.07813e-08 4.07813e-08 129.4867513 2.209442524 858.050781 4.07813e-08 6-Hydroxypseudooxynicotine 237.3987107 132.9596706 398.6224677 4.07813e-08 4.07813e-08 400.3238679 267.9384823 165.1016467 99.04103768 93.29099202 4.07813e-08 4.07813e-08 90.31822656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3730.984288 3705.059834 2258.611724 2622.191591 4047.98902 5530.614113 3636.78764 3262.637884 5048.474222 34.45623704 76.75823089 4.07813e-08 44.3708579 169.9849842 129.3536901 194.6648981 42.11108588 4.07813e-08 1628.467807 2863.352577 2444.031528 3426.786813 3377.165008 2685.641024 4969.381237 3276.59666 5486.479978 3149.432862 2105.241984 2506.405595 1408.962992 1390.511825 199.0257614 1911.908673 57.50281421 3317.713359 Methylsuccinic acid 4.07813e-08 3867.399207 282.7033529 264.3228955 635.0654465 1033.755411 1176.340543 2886.232345 2338.275146 76.58164522 732.5890699 4.07813e-08 4.07813e-08 4.07813e-08 65.92924306 95.97658778 19.65228401 185.6548122 4.07813e-08 589.4190535 4.07813e-08 61.69729368 77.457029 186.1452389 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 106.1026324 0.20828478 69.7266044 10.53674681 4.07813e-08 4.07813e-08 12.38524648 197.4684473 58.05700185 132.9519246 4.07813e-08 4.07813e-08 37.84250974 109.4370673 190.9546782 4.07813e-08 0.07280934 4.07813e-08 3101.849676 797.1743549 1396.980132 2712.464584 13407.95965 855.4324835 2883.164693 411.4137849 Mebeverine metabolite (Veratric acid glucuronide) 380.1337548 154.0044669 162.3794294 372.8330826 234.7735221 91.79077953 342.4400293 85.53340638 4.07813e-08 8801.94313 6038.866148 165.27091 7694.84648 208.1972801 2714.392354 4.07813e-08 2739.989581 3020.549175 207.379278 494.9954198 1525.232602 781.5267621 696.7695112 485.282593 467.5778308 335.8963454 4.07813e-08 7987.549845 5575.033252 683.9744825 6483.671789 6257.314431 616.0694772 9351.446178 163.7631977 406.0403362 426.18256 394.0179639 223.6743334 268.7910074 241.0325262 638.009269 185.8904124 4.07813e-08 290.5633917 66.74727676 172.4455732 120.0071721 392.78385 271.4773325 9185.495343 299.7984277 7234.692636 109.7116572 Enkephalin L 605.1362405 19216.6659 1700.81868 1692.727058 373.3552283 1962.146413 9933.225893 6265.782457 3256.545258 52514.98606 57919.55009 43384.34938 49426.34665 49289.08417 48767.8978 31093.69498 28590.23033 63312.15783 4.07813e-08 4.07813e-08 173.237836 1832.563964 4.07813e-08 4.07813e-08 1173.24315 872.5244787 327.4522217 41711.77927 64825.54232 45018.44095 69058.00324 60335.9511 49546.88969 83663.71246 39347.64524 37534.03064 1745.549172 883.8720073 207.8799043 148.4895197 4.07813e-08 4.07813e-08 4.07813e-08 489.0880413 4.07813e-08 137.8945341 4.07813e-08 718.935598 6610.897028 5792.279582 51186.29866 5400.10709 52305.77865 6965.14036 O-Desmethyloxotolrestat 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9373.012783 6860.975206 2768.241535 11318.27183 1609.503645 5509.560279 1545.087288 1860.187991 690.4384351 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5924.060012 4718.255652 2706.875575 4477.915031 6037.462285 3765.481173 8212.79531 1234.051538 2414.040683 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5320.854439 4.07813e-08 6167.413155 4.07813e-08 4-Phthalimidoglutaramic acid 212.4305841 1302.819557 109.4026837 335.391765 39.14736082 126.5846121 523.454618 460.1019572 754.0172452 8385.194566 5465.973035 939.0797267 8343.915859 382.2213561 3955.574941 227.8667454 5493.423366 9959.695655 1112.375364 1184.04714 557.8144308 252.4649491 548.1399709 289.6284606 450.205552 49.81096729 545.6143056 10071.06123 8800.664859 329.0889518 5711.86615 7265.843018 2169.092403 8615.013203 2097.636804 808.152579 2034.962632 865.0679965 229.2927454 620.0211529 527.5389273 660.4816897 361.0432568 198.1646952 1209.557777 385.3318293 420.6757451 427.8249831 1092.7046 2142.866013 9548.851875 524.1703812 8153.047417 511.6710236 Piperidione 4716.791896 3987.093604 4773.4750540000005 6107.119679 5647.126536 4154.604939 4154.859347 3448.681173 3238.533091 2850.540027 3140.704173 4426.667247 2626.977177 4071.939431 3688.241744 3571.629067 1835.323905 2733.420922 7126.663697 5311.593481 6599.741848 7582.658765 8289.239496 7090.829109 4693.130125 7193.577394 5981.087025 3039.498941 3350.552144 3593.006482 3445.726337 3252.991308 5191.310229 4464.004109 2884.472035 4472.248275 4117.160541 4928.623807 5566.430353 5201.319836 7567.107845 7566.347528 7152.419466 7153.475713 8835.381452 3933.849125 2966.2014 4196.947025 3633.341791 4013.269849 3579.724321 3006.359706 3179.364416 4789.361183 METAMECONINE 1559.719698 2252.405116 2648.352698 3191.122918 6120.307486 2959.492962 3246.083944 2615.063707 1873.291245 8.130039879 0.035627403 4.07813e-08 0.36336723 4.07813e-08 94.60097791 4.07813e-08 4.07813e-08 1.617725035 590.3180334 473.9800339 943.873035 2233.439321 1292.27295 146.2598019 1161.131526 864.8528345 1423.410157 4.07813e-08 0.113749596 4.07813e-08 0.089608853 3.353510739 1.839932854 4.07813e-08 4.07813e-08 1.401946199 8452.089656 1108.444045 2062.285661 769.5954983 1272.855996 1295.989259 288.3612055 1600.912168 4572.340019 585.5710544 141.2876051 1382.17667 1646.4654 2870.448999 84.16168653 1574.81217 2.141234129 873.2685835 4-METHYLDAPHNETIN 337.3546254 471.1092535 218.8755522 373.8934828 552.9095645 376.4353326 128.8539583 359.1876299 575.4675917 1773.724299 1527.246226 2164.926786 1725.355695 1918.258106 1402.330946 1582.88404 1279.980607 1928.055717 110.8017007 90.9981474 212.471052 175.5366957 295.3913378 60.99563402 104.3142723 210.8868604 265.0448629 1555.776963 1817.192176 2404.351495 1630.137692 2071.876203 2183.963488 3226.998782 2090.260936 3004.159361 114.1375045 183.6699468 152.552897 91.10983666 171.9437545 359.9462158 179.7858441 273.5242941 95.18307586 4.07813e-08 79.14554049 78.74083329 139.6630841 216.9952372 1802.694864 258.7462365 1893.463666 458.0522891 Ephedroxane 878.3016377 703.7663553 1136.448135 1045.323646 976.3104862 991.6772195 1267.045676 1580.251976 1270.075474 4795.055328 6747.600762 7396.5713 4211.698617 4224.494484 4410.468052 6435.505984 6556.594724 2257.760983 1503.119814 1070.644463 1402.029548 1603.596448 1205.226676 1390.762262 1634.578774 2006.318401 1835.450463 9351.561173 5457.814738 7677.79245 5812.654847 7238.023507 3794.146501 5468.396677 9580.446282 6866.830185 1381.869848 1173.714971 1122.667325 1107.372573 1615.526024 1619.345399 1259.725818 2029.863273 2054.88152 892.1620371 891.195977 1207.324626 1093.418535 1326.092393 7672.995817 1369.628038 6953.576291 1227.149178 Dihydroxycarbazepine 2155.288593 1581.251821 2133.627768 2153.72794 2703.707061 1922.601945 1569.121284 1605.965293 2047.965924 357.8312075 460.7794225 421.8240227 176.3542534 212.6792898 40.26734883 4.07813e-08 84.57600783 404.1990096 3549.266172 3087.737654 2965.359365 2897.430306 3594.60011 2835.129392 3440.506891 3460.600572 3462.107632 208.0986112 495.3163343 233.2673299 293.4655319 301.0253091 261.2582219 418.64259500000003 285.0054799 154.5740446 1823.851935 2876.548036 2303.269464 2462.699881 3558.088933 3615.292152 3170.337489 3556.969383 4361.236721 2698.056996 2890.349756 2172.33572 2022.222746 1821.063712 361.0294249 1963.813813 339.909718 2550.518244 3,5-Dinitrosalicylic acid 107523.5265 99990.74384 104605.3344 103693.3208 108785.6606 97181.20357 98592.208 95359.89908 97604.3243 77244.6889 72750.98521 76159.07382 74832.85185 83759.90224 67785.37659 94407.72267 69537.36557 87343.43534 73890.61138 76593.46939 74641.86355 79036.60795 72807.05251 72159.62223 78270.32643 89909.93054 79988.88749 69619.55396 85533.53673 79635.69157 92310.26767 71185.01362 73558.65297 71068.27306 83378.66827 93923.07265 90313.75705 75025.96334 79414.01577 69481.93197 72951.61001 74644.41564 78147.72521 89208.37287 90547.47734 85162.70594 81135.61817 78786.97 83605.78487 76785.97544 63827.69318 79938.33181 84844.11808 99795.35848 Cosmosiin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5837.773708 15667.45792 16579.18218 4471.471112 22092.89608 8698.805911 8243.501926 49644.83297 20786.82298 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9992.126123 16146.09044 23251.08196 12680.63729 20443.74857 32131.83001 13209.85102 9719.694825 6207.672104 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13178.93807 4.07813e-08 11528.45185 4.07813e-08 Adenylsuccinic 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 1161.148527 48276.58655 578.303806 188.3642453 839.113907 1268.7167 40761.68348 97793.80076 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115664.5345 4.07813e-08 64328.43928 462.4094144 86981.0786 76340.22467 1563.734977 97247.77705 3371.12434 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2969.557569 4.07813e-08 8045.88124 4.07813e-08 2-Oxo-8-methylthiooctanoic acid 1421.4995 451.3262353 1556.956813 2006.054753 629.0833067 1635.546377 1607.473417 773.0475898 869.7141072 112.4202853 68.54647253 4.07813e-08 151.233492 207.3579336 4.07813e-08 116.2872644 168.7707288 62.13558122 3054.216939 1789.024792 2780.629495 4244.261969 3139.352301 4004.271469 1970.992475 1048.519374 1554.934823 75.02950824 319.6058224 313.893376 859.155595 527.0418149 41.68831248 62.94268312 4.07813e-08 551.568261 2024.085045 1201.264393 2185.581139 3548.437516 6536.324778 2740.332462 3900.37014 133.646023 1614.740002 999.0723918 1471.377511 2289.382143 4043.229642 1584.105184 512.0993433 1150.232854 161.1886227 1738.099484 N-Methylethanolaminium phosphate 131.9820472 396.2188115 266.5029897 692.8336691 150.6259103 842.0043295 1271.829705 294.9229808 419.2195009 4045.054871 2514.395648 4.07813e-08 3623.179038 4.07813e-08 1810.957429 79.13321037 808.4266319 2296.630607 429.5447408 433.5723351 202.5961131 4.07813e-08 198.7880359 644.4374051 574.8505982 4.07813e-08 246.7094653 3196.932743 3568.637174 4.07813e-08 3060.826043 2941.853819 1624.505986 4676.000274 154.0878194 168.0622338 237.7086916 90.78488003 247.6186253 4.07813e-08 103.1812685 389.9201361 417.0893704 182.9285609 519.7925477 131.8621471 491.2136626 482.6792396 4.07813e-08 4.07813e-08 4147.581281 4.07813e-08 4221.201687 229.1755583 cis- and trans-L-Mercapto-p-menthan-3-one 1048.984653 583.4540502 747.026454 216.6645265 1068.879407 646.9336693 1201.638965 128.6593561 106.7630345 124.9359454 11.37059361 110.5717348 50.9995433 16.80123661 286.6554406 9.820872432 14.78327972 23.76221537 2676.510271 2338.34391 1951.73676 1658.857941 2943.964007 2394.007022 2026.127649 2243.412679 2632.736526 35.51460189 47.3470205 20.81138902 50.17479092 30.55000983 115.3456007 51.44444003 4.990265181 33.56805827 1137.023058 1396.548872 1500.410442 1980.336656 2886.891179 3727.493898 2345.935147 2184.544898 2976.548798 1148.449784 1182.650288 1367.871597 756.3854243 724.656424 136.4829977 1415.73143 0.933976101 1015.693876 S-Methyl hexanethioate 276.8397552 1083.730292 1251.297675 763.5807618 1019.221915 769.483822 641.2813484 4.07813e-08 606.0149177 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52.63154155 4.07813e-08 4.07813e-08 4.07813e-08 1172.372411 2484.019044 3035.887322 1656.812842 4122.232064 2169.029759 2760.594658 4.07813e-08 4.07813e-08 69.86560521 50.19193998 4.07813e-08 4.07813e-08 4.07813e-08 50.50817097 4.07813e-08 4.07813e-08 4.07813e-08 935.4802743 1993.108788 2561.592869 1479.196358 1587.478636 4147.477414 1799.000169 4.07813e-08 73.73929634 308.2155816 1624.419862 3391.978373 1281.703139 752.9411693 4.07813e-08 2313.064879 4.07813e-08 64.25558569 5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one 3585.247581 9639.834567 3092.33663 9308.034727 4116.909504 2852.315227 3187.690992 2258.171417 1947.591866 7789.578557 8191.618145 8640.1293 8849.873971 6073.053436 5905.443276 4328.290634 4728.230954 5331.812565 7333.789236 4284.837977 7337.539069 8411.727341 7864.693364 4057.231138 2637.041414 7088.308342 2347.86225 6627.596843 7236.067213 6787.585934 5229.53424 9438.492741 9755.677138 8550.254792 4500.009557 6767.049508 5828.126145 5457.02336 5693.101566 2551.628318 8316.9386 8263.196222 4094.656457 6275.198172 5259.039322 1369.095177 1695.23086 2718.513844 1967.716169 4335.21798 6796.22282 1800.593593 7249.84273 2765.209439 Dihydroxycarteolol M1 42677.01486 26937.13444 36314.8285 48174.86362 51167.18898 60278.129 49715.86533 40828.23296 21501.82786 559.951576 191.8886874 662.8702209 676.8350229 648.1533474 218.6800146 765.0225913 522.762017 901.5682037 28365.5102 37015.73912 26331.3456 37065.1532 36708.26007 39210.67842 28974.02898 28970.76997 31052.64366 1271.229345 1173.158992 102.1218098 676.7744211 1733.641668 1211.61359 883.2969554 669.2962647 650.661277 25099.18224 34896.28625 25271.4117 33381.55493 46167.07756 37029.44517 43910.09428 29196.43513 33988.66812 65727.31189 24587.71434 26367.091 27431.62396 21354.46644 1139.101317 24293.462 863.5528293 55297.41712 Atraton 8761.943708 4711.974796 3924.856509 5864.020711 3030.898112 1695.92683 1198.056196 1334.409245 2649.555166 135.8686996 4.07813e-08 596.1159498 4.07813e-08 1740.807934 4.07813e-08 652.079524 4.07813e-08 102.2375062 14807.80177 15689.95235 3451.503997 5342.068449 11989.1903 2039.911771 8013.314763 13180.35938 5638.56762 115.5915092 227.627967 809.6152294 4.07813e-08 241.9372855 1005.867738 111.4828393 295.2239082 1843.039339 6770.553117 11374.31066 4888.759202 1068.163582 4155.607061 14659.09457 1509.947532 13098.79077 12310.3926 9650.314038 6584.506653 10197.01691 5714.319732 5295.505211 132.0673298 2278.790036 4.07813e-08 3458.21643 Penicillin X 8.734779906 836.7409243 14.51697713 8.320779477 224.7800932 662.3719238 1044.231236 556.4447124 735.9653016 84063.90182 121484.9434 88031.01502 62678.05021 216104.0135 135033.7418 272913.2858 536499.62 59242.90085 110.3850898 816.581694 198.0957428 10.02731752 347.1716128 149.3840679 390.4804901 53.97012916 8.951926502 45079.13831 52376.8767 91258.33586 27441.13287 81963.4155 38404.49869 34783.07873 165773.2073 100091.7148 124.54324 290.6989257 32.64462332 64.25747383 465.6614398 400.9676701 19.85578657 168.4098509 395.2960092 267.4102548 2890.595849 134.3803044 261.8538014 521.4883812 30983.83652 249.7658861 19341.91942 1527.948599 R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl 17274.43952 14361.32724 15942.50057 20984.53749 22750.71216 20363.62597 19200.82753 17177.76771 15562.46269 2718.784391 2910.906262 2661.174594 2516.624887 2049.452199 1110.170204 4.07813e-08 952.9506613 3901.500584 31008.97263 30088.26205 26450.82137 24891.23597 36249.64693 27956.56082 27281.9198 30287.62823 32579.68076 1011.551709 1768.89737 3927.337889 662.3002604 2478.17673 1788.182288 2170.21041 311.6348965 3031.918439 15056.22985 21945.48057 18308.22392 25207.68995 28056.71551 33280.64432 27981.24159 28165.69356 43743.33044 24394.94628 20450.78783 20905.91757 15126.43405 15149.47705 4761.825869 17204.66708 160.0317238 21565.9789 Cinnzeylanine 5024.255965 8633.651031 5411.124487 7568.421101 1670.858379 3178.965309 2945.708434 7068.098984 7131.754166 8984.828085 8902.906104 13360.78963 7683.591958 9101.130494 4822.490319 7133.535037 5979.742901 6761.866222 11092.34086 11022.87132 9243.412987 5205.782535 10958.12744 10176.06489 7949.032722 14355.65897 13100.81609 6382.336865 8008.077227 7574.860186 4360.680997 5547.149486 8159.287413 8081.940696 6237.76019 5832.216849 7721.971981 6492.923927 10564.76856 9002.871106 9051.277406 11482.15229 7183.426877 12157.61423 15983.2975 4146.024911 4273.984121 5875.165945 5944.585926 7755.652656 8162.707221 6344.997363 7632.695501 6124.303425 Kokusaginine 3717.606357 2916.11604 2298.019604 2396.54732 3572.507266 3575.690135 2694.389511 1618.116714 1805.00555 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6083.934936 5378.449909 3508.993426 5757.629322 4.07813e-08 2887.115038 3277.702539 7901.611609 4634.606795 87.61360777 146.449689 4.07813e-08 4.07813e-08 64.31477116 4.07813e-08 145.4861422 4.07813e-08 4.07813e-08 5529.088077 1542.084495 3155.890726 4.07813e-08 5113.81491 2224.35086 1956.280244 6447.611679 8453.362726 1934.909857 2100.195109 3543.727556 4664.815932 3144.388969 4.07813e-08 4073.804269 4.07813e-08 1750.503586 Cuminyl alcohol 9596.475532 2615.48458 8654.434931 11892.4635 16818.09234 17062.22743 29182.7919 8719.001538 7820.718488 1139.476837 432.176647 1014.45065 985.0116713 887.1158613 593.0748576 936.3811012 4.07813e-08 1124.169667 13571.66173 13993.19163 10440.99371 17059.43962 13855.92986 24042.09233 18730.50221 6457.301429 4649.792849 4.07813e-08 700.3515862 1151.613742 677.2148996 817.6409819 489.3496284 1022.791275 4.07813e-08 921.3933713 18220.25165 13118.36025 13171.05088 14539.67923 15873.69149 14585.42493 22928.58461 6519.240333 5799.993967 27791.33073 21710.25673 17888.60291 11555.61525 11851.96381 8905.48954 13169.59891 3457.15406 21906.76851 PKHdiA-PC 4.07813e-08 688.5998133 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2714.781327 20455.90202 31423.10764 26105.52791 19466.08337 10562.64507 31523.18256 29179.60773 6217.759958 17071.84377 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7754.783135 34076.6486 15339.02867 18569.07567 25590.81335 36957.01081 39613.87024 2963.792124 14066.52034 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23955.47681 4.07813e-08 2461.263306 4.07813e-08 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid 600.8226955 271.8789699 51.34801647 111.9745249 4831.082398 846.2138363 625.5020484 38.71029307 957.2818365 4.07813e-08 4.07813e-08 40.78854958 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5494.353307 6949.999336 2254.12338 4321.118359 8933.148842 11431.53339 7225.167152 4462.798526 2795.340152 348.1202919 4.07813e-08 4.07813e-08 4.07813e-08 34.92226636 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2730.887668 1184.840956 2891.051516 7237.780197 4703.842214 6760.820911 11256.54704 3388.853884 12271.9202 4548.055257 4161.681281 3236.89384 5078.518259 1459.226011 4.07813e-08 1147.537129 4.07813e-08 2680.807917 Metoprolol 249.2708819 473.7364657 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 494.5385037 249.6728504 279.0707537 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3198.731026 6358.101968 1261.873317 1962.03059 1878.089341 2948.149664 1751.881184 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 436.9231767 2814.143711 1013.691526 1812.056295 1452.903945 1654.800492 1511.45687 4.07813e-08 1125.563442 1640.369746 1317.413536 1651.59594 492.5943356 678.43878 4.07813e-08 1737.903199 4.07813e-08 343.158846 O-glutarylcarnitine 60.37969 145.5665798 250.6519378 451.1242335 771.7815471 726.480755 796.5704681 4.07813e-08 4.07813e-08 54.2535395 4.07813e-08 122.7531584 4.07813e-08 4.07813e-08 450.6293658 85.94057066 4.07813e-08 4.07813e-08 1786.81034 1644.242992 1401.309723 853.8099992 1669.618258 1401.714096 1529.313411 1685.025302 1692.888569 180.8666287 167.8997655 4.07813e-08 449.6699461 4.07813e-08 279.4455227 641.1713972 4.07813e-08 4.07813e-08 873.50962 1144.360865 943.5366643 1343.752114 1490.630068 1846.924092 1372.070083 1326.243376 1791.149234 1087.272404 883.4906448 1097.134989 1093.218151 841.3717768 421.4402203 1234.788211 418.9561037 1348.593831 Ethylmethylacetic acid 1466.9631 1174.895269 1877.923731 2051.858032 1412.7823 1263.242378 902.6600259 936.0377609 694.5968432 364.5129293 260.6943656 352.5068143 356.6087083 376.6932663 45.69091639 71.17538715 4.07813e-08 348.8412 3076.819763 2397.212882 1901.639877 1979.142365 1091.881059 2170.838924 638.5168692 2281.858637 1111.381108 4.07813e-08 269.0861458 53.7841236 63.76776647 81.47879951 114.9809583 437.8822572 4.07813e-08 313.5589563 1265.360396 1908.515886 2008.714435 1484.930802 2254.645789 1168.844613 2080.298881 2452.016085 1564.137439 781.167657 434.5244291 480.7712433 1279.470161 1087.570561 4.07813e-08 1255.342573 200.1943061 1058.031943 (E)-2,6-Dimethyl-2,5-heptadienoic acid 41776.29879 38374.85087 47754.88598 56876.06126 53962.40908 39911.65044 48159.76675 30039.09515 31084.96479 8003.51155 6357.285258 6570.138989 8441.10832 13359.35309 6123.183755 3575.69459 1422.142635 8167.067807 47393.29304 56255.22759 45536.84235 56465.48801 74021.34873 43325.52928 47846.2445 28597.04506 45737.96154 1214.437305 4878.249707 5182.390115 6003.879751 5073.403418 3688.898791 6086.955495 1973.859189 10753.75087 35204.85937 49677.08886 40677.50566 41783.49593 60537.70941 67625.59298 41813.42584 30222.1425 43500.35357 44494.63067 32151.30594 51024.84253 35098.85921 31865.38124 4546.318764 42794.92967 4133.643778 32455.39295 Penicillin G 4.07813e-08 2.292047377 1.736209897 0.614653379 0.297797018 0.000832118 0.434473281 352.4664958 476.0447381 40905.82842 21200.86219 51591.07233 33002.53902 94754.71842 59358.0276 80420.48775 76333.59539 34711.16458 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10463.71813 26748.82827 32119.44193 35254.24504 19602.6212 21395.44729 35495.01219 48247.97418 94193.18904 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 177.3227562 0.987043975 275.7865443 10.97835311 15621.29435 96.07761068 3101.903074 1265.34738 PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 13584.9207 17247.35353 2950.206337 4.07813e-08 4.07813e-08 10424.08857 5338.414494 4394.992039 4615.455285 19712.76301 156019.5912 83046.51127 15170.63712 92201.88067 80338.17619 220322.9767 44848.63305 9701.926927 4.07813e-08 999.6901069 1641.226939 2890.522378 755.538343 854.7741374 717.1154179 45.24352588 64.33290323 57983.5855 105941.0621 76103.28169 50618.56217 91590.67184 138605.4354 93672.34833 102395.8348 66409.57195 4203.509397 1029.779944 2220.179295 1193.419312 442.7510737 1157.884977 452.2116241 213.0428381 64.25122043 856.4736203 14897.56199 9385.234716 9204.047469 4663.715401 32998.41541 8640.68441 52852.49082 9989.333581 N-linoleoyl taurine 145.0934342 2870.291138 57.04901177 803.5575336 334.5595664 380.673274 531.8914892 321.2157396 4.07813e-08 42677.51401 38150.23824 30225.36737 48662.65861 34262.751 125602.7959 19718.79805 16624.43331 17155.18217 183.0772094 16.17054475 4.07813e-08 4.07813e-08 180.6062065 4.07813e-08 142.2929584 4.07813e-08 510.5368395 18110.7666 26272.05164 32809.36672 25485.39168 33113.66439 47018.00023 31066.62385 21409.16611 50906.77077 814.9305937 4.07813e-08 4.07813e-08 117.295041 156.19017 141.5133724 4.07813e-08 4.07813e-08 202.7987373 577.2846255 1623.75334 4.07813e-08 459.885204 429.7354813 38524.09314 233.044178 31533.59243 418.3250929 Dihydromikanolide 4.07813e-08 4.07813e-08 764.7936867 2401.293412 20591.19673 4.07813e-08 820.0855836 1788.60596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26263.3764 6061.168785 9497.558435 24327.3745 257.8781024 1002.507111 3991.88007 5182.684929 409.0409897 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17046.40258 488.3470851 11067.28948 239.1235325 17604.15581 12406.08193 521.5258665 4309.3949 25114.0887 2438.13676 1491.053986 842.5881684 4198.165179 1886.060871 4.07813e-08 6406.669802 4.07813e-08 5996.682917 Methyl dihydrojasmonate 28170.47373 18537.10378 21616.31547 25706.53991 31963.55686 28993.89237 28836.53721 13613.81035 15080.57456 2955.134931 2579.708042 1646.285758 3709.22405 2878.039743 938.0507676 1596.543628 178.4166192 2961.54126 43643.77394 41286.13267 31370.36991 36331.72021 50360.01338 40138.80871 31318.58946 13499.21723 22913.22295 237.8841493 3633.082814 1730.356179 575.9824327 1319.323516 1892.752479 1709.906682 456.8049311 3137.965571 26055.51499 32156.24737 28501.68777 29101.20821 40554.00279 53475.58295 36015.1541 13486.05228 22930.64313 31986.33506 28859.55759 34058.6792 20808.86325 23258.24803 1437.694511 29132.08086 1380.828089 22355.00664 Tris(1-aziridinyl)phosphine oxide 4364.326583 2036.823176 2819.870697 1728.31803 2253.701423 2296.793524 2705.149593 1854.198344 5419.15987 502.3207049 293.3333888 362.0888345 200.2547777 849.7708821 88.80529982 662.258866 150.9862641 481.1463708 9060.796726 11311.68148 8848.527187 6875.370144 11181.80051 6737.738741 9526.863433 4672.330591 6896.17922 181.0743998 41.28731333 396.3473558 362.9485338 866.7629301 135.0696073 49.86347992 157.445279 574.5908679 4186.630603 8244.115411 7867.988822 6824.59676 9069.865356 12457.43903 7576.977262 4908.774174 6019.592261 5952.486197 4791.259237 9181.80327 5941.730373 4573.746223 1091.207125 7897.831872 20.63765294 4102.766883 Zygadenine 37268.59726 37036.57083 43428.6913 55447.57026 45169.20378 35005.76455 30585.19675 19026.23634 22678.66655 19639.38073 19011.1707 25301.97119 19344.49147 32209.52388 22239.79515 13105.61237 916.3204688 10057.32277 57704.28677 49238.65539 48832.02987 53333.18128 63723.66085 50277.18253 49161.53079 57313.40333 55707.69049 9602.421638 16732.02505 27424.78166 15296.3448 24557.15926 25005.5278 17472.16883 15335.88733 25668.69707 38354.30793 44587.80478 41111.88395 48182.90389 59721.15385 55928.4439 43745.46899 52584.97669 70685.35742 38860.88332 34714.81896 35124.88956 32885.81683 36320.26182 21965.52731 38359.07351 17158.58368 39302.31172 Westiellamide 0.873296975 2187.426167 500.7852601 42.15972225 4.07813e-08 33.50768697 99.06332733 1689.303154 2438.706731 7377.740768 37330.44907 90154.28822 4416.148749 176858.3239 127465.5714 181184.8713 131318.5098 29989.44872 342.5093498 373.3308766 512.9310957 231.1328624 189.9038942 203.2937674 253.4327206 387.1780193 179.6717473 131131.9846 71876.62024 10775.97386 41765.53056 40826.32183 14990.1857 64552.1506 175876.441 22333.85979 612.8294186 561.6478184 77.77420247 543.9406415 112.5812048 69.27998378 106.7538555 0.037322774 666.214195 4720.879508 4984.757148 2225.40754 1942.609634 833.113694 41622.80636 1951.582565 6822.426564 313.0654283 Deoxynivalenol 5785.040006 5974.30221 7225.893374 9816.279521 8376.446277 4464.117499 9104.262763 8964.011706 13228.33826 985.4048416 1612.435343 502.8340584 990.9609754 1119.053153 649.9037808 1269.915417 4.07813e-08 5387.31493 9837.067779 12257.33408 6079.433828 9822.322284 7103.209979 10715.96281 12306.85647 10049.86016 8404.042846 4.07813e-08 107.7996934 100.6036797 107.1588106 183.9842495 4.07813e-08 171.4826997 4.07813e-08 2694.620562 8320.285716 5658.301769 4213.479044 4892.566765 10441.89458 7409.224068 9592.010204 9738.726862 13257.46437 9608.832285 7133.359211 9939.099187 7009.393771 7697.747696 5537.797466 10833.07706 78.45672023 16281.47502 2-(4-Methyl-5-thiazolyl)ethyl decanoate 5972.105296 4501.969711 5670.955813 4500.995962 4686.671405 6243.251022 5298.887454 1984.429899 2648.948877 2925.100184 1758.910865 709.2711477 3130.955597 4.07813e-08 3012.503079 4.07813e-08 4.07813e-08 2111.830739 24028.15934 18727.71175 17777.71426 21370.86291 24982.90971 24320.04525 21026.61833 27056.70085 24799.07175 713.4511908 8915.765317 1955.460393 8587.951441 7162.290878 4797.748482 11116.45523 4.07813e-08 2448.624304 17597.40662 18243.87475 18919.79517 19611.07892 23072.2989 22680.53576 21639.0126 24458.16306 30300.25772 14040.99227 10608.72894 16275.23745 14669.88284 13414.94071 9880.126839 15219.69927 5276.99105 14698.51059 Panaxytriol 11256.16351 11203.93509 12430.47044 8999.168776 12789.55886 23061.00037 18218.59074 14900.90928 17971.78917 95.61238863 89.21096681 4.07813e-08 91.56828266 4.07813e-08 277.2705137 4.07813e-08 4.07813e-08 136.1085133 25521.56136 22983.92003 19049.92008 15465.1271 33944.39697 35828.80664 20880.63966 18480.22768 23588.36033 4.07813e-08 107.5939059 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12965.1256 21880.78129 16649.42864 17406.34059 18031.28898 28723.41086 32401.29449 16846.23539 26145.2369 25553.20268 14078.76053 19391.0257 9711.933691 7177.808877 852.7106129 15909.11958 288.2352212 25421.95045 3-hydroxy-phenylglycol 2027.242614 1464.017113 1184.525427 1365.55075 1581.515446 561.0462274 2481.723413 1964.3788 2536.186165 2884.029116 591.0213547 940.6999174 1407.022788 1879.652946 549.0143737 1501.102002 419.2958494 432.2870226 787.269537 1102.202291 4.07813e-08 1492.726675 855.100747 4.07813e-08 230.9627941 1022.840639 384.8613595 4.07813e-08 4.07813e-08 1174.256656 4.07813e-08 445.9037412 1304.766972 579.6091043 1562.671457 2484.566221 4.07813e-08 231.2187164 234.0726748 107.6957366 822.7532201 108.0530261 324.3202408 438.8482718 1164.481946 118.8458008 90.04294523 246.0062035 94.00208162 4.07813e-08 753.8139868 189.6759439 1053.832683 122.9543019 Methohexital 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1018.733426 4.07813e-08 4.07813e-08 4.07813e-08 838.6602541 3512.903906 28883.51745 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 812.3285638 4.07813e-08 3393.445632 4.07813e-08 15139.29297 932.1243765 190.1730665 1522.299139 1223.087099 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11659.89232 4.07813e-08 11663.24348 4.07813e-08 Furanofukinin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 212.6556986 233.3558958 4.07813e-08 4.07813e-08 4.07813e-08 4369.720535 2398.567763 2164.25749 1824.760033 4.07813e-08 510.6318792 5442.278422 4.07813e-08 4.07813e-08 407.1910487 1618.309867 1223.749364 302.7910332 114.7123087 187.0867944 80.15624505 389.2908307 4.07813e-08 4.07813e-08 1495.010932 9088.428172 2651.648583 657.6790357 389.4862145 901.4191013 4.07813e-08 6014.14176 92.72868457 315.2603341 294.122981 184.4958209 475.7304173 146.1654877 207.5547239 4.07813e-08 188.3418159 216.9626747 1101.058096 4.07813e-08 4.07813e-08 4.07813e-08 1720.395848 113.8814603 4737.626934 4.07813e-08 5-Hydroxyriluzole glucuronide 32571.06361 50211.55042 16727.56062 16181.7079 16607.889 28293.14177 25411.57753 27894.35965 29294.93632 100862.9676 34659.42125 252032.203 86979.68458 373820.723 311331.7161 194446.9079 416681.5756 386586.555 15684.25031 18987.35521 13739.71696 11190.05938 16431.979 19549.15365 16227.35084 15224.33204 14897.56128 154480.1948 160099.5791 42845.52329 174790.7059 78005.57813 66692.6502 148048.3658 263825.0119 92163.23834 17912.83923 16151.16381 13399.90405 15451.49842 15003.10646 14358.44378 19746.166 15830.19611 16169.29001 20754.98719 70107.26163 31806.32063 76717.72141 33457.89735 116837.723 28038.21169 60039.25347 42267.18675 ROSOLIC ACID 12910.8921 8045.151981 9005.511852 9862.382814 9905.612817 9510.617261 12105.22153 8788.111135 8684.307085 1491.122323 1627.827824 2729.63843 3064.169318 3112.415415 1434.152248 331.9075843 3854.699796 7173.848522 26185.4883 21138.16939 22928.3253 26462.46372 26278.38871 26212.65285 27338.74894 21398.3755 23875.28417 1258.355144 4695.842587 1487.327859 1412.550896 1581.849071 905.9232168 3638.289022 1380.558637 578.4642663 21979.42891 20400.54636 19923.29226 24286.40722 24265.81051 29536.38181 26985.96501 23464.23966 28487.43919 17308.40274 15769.59629 16035.26153 13629.4961 8260.095101 3855.619535 15220.59422 2111.215946 12690.14167 CITIOLONE 96034.46946 291800.9526 180737.3316 214156.9191 171350.21 143261.3708 229409.9271 145464.3381 146132.4483 56924.9397 40635.17907 58587.1414 58715.38155 53007.16242 45184.8328 45952.35046 29824.88863 274724.8163 44397.25214 36370.87358 45871.13112 70944.96036 25231.19099 26252.37898 32712.58792 105092.7458 60809.99405 25654.88178 48048.48499 68131.05662 56937.8017 40219.45434 49952.57687 53856.08008 54502.81995 101396.4122 137628.0019 59523.83174 58394.93091 33688.55696 47383.89286 42191.93377 25679.39132 109298.7671 61273.98737 37994.36981 92643.89012 70258.5654 117913.9983 138360.7625 127101.2572 117698.8444 89952.75071 217709.2849 Tuliposide B 68266.06032 115305.1195 98518.45727 136411.1505 147832.867 106354.6191 102840.0516 91600.8843 72181.15151 188170.1971 197493.523 160058.2274 196416.2647 146422.3861 82286.72851 122801.1199 65673.01686 122905.4038 66568.07462 48755.94393 67186.16913 65885.76129 87503.22942 77651.37102 82293.94331 73113.30008 78225.25399 87758.77159 136155.0696 139222.3182 94897.60207 117288.7534 145386.0305 116291.9428 66026.17282 125771.2411 82075.30985 71886.08208 65060.57164 71918.26438 61377.33286 90375.58772 65924.92145 79253.78758 76789.63853 60776.90958 63655.32141 67495.27073 87246.79593 96509.60639 114019.8896 77981.24103 149775.7638 93943.86323 (S)-ACPA 10657.57874 22661.82624 13180.2386 14562.67033 9259.096755 9996.236478 12234.66257 13042.99336 10194.49708 33826.48101 25139.41132 27663.44674 33510.17402 26247.24149 19086.80244 17029.86202 17311.23495 32850.16925 8539.081015 3778.721806 6693.922627 5975.550986 7038.967535 6239.813866 8151.776462 7643.944263 8371.379042 23567.44643 33178.87613 28819.54078 17360.37199 28671.32373 33052.68176 27611.91963 14573.67318 27428.22763 12748.75994 12063.45119 9938.754493 9060.258065 4297.110688 7279.115865 4961.229203 7349.378641 5819.723602 5769.128864 4626.610817 5901.489938 8099.62202 13667.55939 33737.78433 6548.767891 24499.64632 8778.743088 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene 2768.889461 4059.536204 3569.473049 4102.692769 5577.592024 3511.966051 3784.476401 2721.626105 2224.609148 18466.06626 14343.19184 12367.87521 23989.66237 6060.92095 6756.112607 19636.67465 11301.67198 3336.13033 4008.291416 4406.4485 5537.584971 4383.855383 5767.453676 4875.459729 4860.362489 6992.61664 5497.000614 27573.80885 21078.59646 12530.03787 21864.83007 9240.356978 34424.92951 11491.76388 27895.07069 16804.53428 4350.482802 2816.103689 3211.106446 5112.630261 4195.685303 5113.252884 3986.845766 9036.904518 5474.333124 5674.463266 3543.655921 4444.470147 3852.906801 5060.920886 15773.26116 3670.339523 17985.4727 3809.705537 D-Ribose 1423.032592 4045.878158 690.0553076 883.7104265 1051.178106 795.1331573 1304.312562 1847.734156 946.5123773 9364.68796 7626.240895 5568.643098 9810.638547 5980.696006 6848.275396 4157.860511 5434.677575 8736.780805 1248.374254 919.6183887 563.91992 486.0485714 607.5244704 780.9507181 918.8872927 883.1784811 228.8474651 7457.811008 8997.140924 6129.081649 7587.928868 8480.517256 7006.349214 8377.021652 3461.821267 6674.846036 4225.14778 896.2664106 637.0070859 428.0312468 581.9911217 742.0814183 730.2680852 708.7647933 4.07813e-08 604.7916067 160.1995522 466.8558261 1656.723492 2530.931515 8813.510652 1142.009596 8558.31149 932.6557494 4-Amino-2-methylenebutanoic acid 1135.9602 1303.199308 1065.725406 655.9863837 406.8274543 624.4098876 989.2734604 275.7429854 537.7418348 737.4123453 478.920017 368.6130137 838.298029 555.3435889 523.0728809 332.9798575 223.5956364 1418.493992 1234.579969 556.4663083 1629.778809 753.6822834 400.5035452 383.6368511 1019.542241 1812.739348 1029.299651 1136.994567 1082.211946 443.237343 1127.322241 647.8908801 369.0560592 1423.326571 557.287771 972.8904984 2315.101617 918.9403596 1052.875225 932.2654071 782.6524894 280.2563986 458.071758 1810.733003 1472.176214 546.7145079 315.7211351 864.6261811 951.2468163 1204.071879 439.2004854 849.4871912 584.3356509 464.4815869 2-Amino-4,6-dinitrotoluene 831.763795 583.4133233 442.9518444 572.2244321 298.0633795 465.9999251 776.4476656 485.1260188 466.2525274 66.81922779 195.0523277 161.7229548 4.07813e-08 109.9078958 405.719405 4.07813e-08 4.07813e-08 409.3053036 2033.535943 1764.921344 1315.963015 1114.182602 1535.915228 1102.492217 1637.783719 1438.350252 1410.776905 391.0800007 809.997873 0.59546478 305.6835722 358.0878284 444.2469578 739.237174 56.99921858 282.930561 1857.975713 1276.903142 1261.131277 1029.622561 939.9387485 2038.767925 807.2647492 1814.207708 1682.945912 532.0668892 936.097592 1581.611206 1390.180696 1616.674026 303.6954025 1048.939169 360.687529 1220.073521 3-Acrylamidopropyl trimethylammonium 4559.430547 7895.171264 9443.492189 5920.7363 4008.609894 9052.708414 7882.077824 21618.93403 20175.30472 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1896.087897 1947.296288 5090.974625 1497.803347 7269.532478 5334.158932 3303.56126 1063.458885 12001.18537 4.07813e-08 37.29332817 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44.01053674 4.07813e-08 4.07813e-08 748.1058747 5727.929372 8198.108185 9104.67992 3355.672734 2784.433955 11634.67725 2203.686885 1196.609957 6913.963154 2139.599985 8491.211304 6514.232304 6630.602469 4.07813e-08 6996.800046 4.07813e-08 6587.356483 S-(2-carboxypropyl)-Cysteamine 6658.334928 10287.42942 5323.291639 8363.966885 6715.501491 3762.989107 9659.981537 28634.51577 29083.01767 178.7908086 91.1043773 738.4863806 154.4896665 47.29238642 729.3979418 286.3653797 256.9478371 707.0929969 4795.025548 1240.179639 3280.058155 205.8494135 754.6736003 1510.666604 3088.241761 300.5542059 2879.320023 7345.83883 1541.545076 1143.687857 4399.49151 1561.69212 1336.05349 1702.938994 2244.190409 639.1452388 8927.397012 3115.843473 4315.418077 6642.019552 5975.108484 3791.573725 9896.823469 4745.649405 599.4603031 13345.50558 15301.33544 20045.57753 20847.84802 21217.55015 1206.635535 34560.85307 2129.398152 17508.19447 3,4,5-trihydroxy-6-(3-hydroxybenzoyloxy)oxane-2-carboxylic acid 177.754403 1231.569817 181.9035225 817.6591901 186.4848771 330.7436373 1605.097171 802.2808108 1707.229448 2410.988584 2101.516536 2919.307449 2279.893724 2570.405808 2804.407986 1531.899499 640.4415281 2286.525102 4.07813e-08 4.07813e-08 85.00283598 4.07813e-08 73.84982387 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3906.789113 2383.656331 3454.446273 1185.66405 4463.509674 3974.545486 5221.197099 790.2582388 3345.911691 4.07813e-08 273.789361 321.8427924 4.07813e-08 84.94413914 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 89.81140508 75.63556083 463.1447427 216.8824569 4216.858092 4.07813e-08 3393.066401 4.07813e-08 2-Aminobenzimidazole 4251.297891 8107.833945 1785.91122 4742.512281 1690.784255 2003.483661 5212.993047 5919.667107 8680.975984 2016.040496 2701.679433 2424.319157 1722.00255 1219.11412 3405.78046 4044.470698 3024.279475 1931.41169 310.922986 901.6546774 1722.765693 321.6104391 1073.470196 365.9427373 931.86687 559.0073167 812.4610232 1600.539881 2182.131154 1224.803837 2791.823547 1392.870348 1889.502754 2491.938205 2226.472768 2200.673332 1111.427173 1367.95249 1526.81552 1678.69283 411.4897458 595.9424097 598.828927 325.6334111 299.0672326 428.3870804 2336.95058 962.0423683 3380.695431 6119.497532 1307.364677 1301.005262 1474.849022 1539.729914 N-butanoyl-homoserine lactone 481.065935 217.7740008 411.1069218 173.1012049 789.3988552 513.0531515 335.5770627 267.1926425 272.9016527 155.6898643 32.31309988 76.2833505 183.3316505 37.75991161 103.7745108 34.00342753 4.07813e-08 79.7856952 1060.134366 928.4721323 994.4504514 568.9560993 941.2486434 1520.391237 889.1885511 1058.322209 1122.896008 77.2874633 148.4200543 32.58905488 89.24438153 292.371172 128.9749157 132.8369422 30.62902202 75.40050839 664.1269551 844.1272841 515.1793751 997.2358431 668.990451 1091.429691 1684.550297 841.8268107 1040.55562 676.1975327 776.1944948 663.4376324 371.1182993 728.0026087 286.3294975 613.6601378 113.0208477 729.931539 8-Methyl-6-nonenoic acid 4.07813e-08 4.07813e-08 4.07813e-08 311.4638144 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7339.369577 5095.077368 2991.430512 6346.716514 2911.30369 603.5895907 4319.102288 10399.32479 5256.680491 577.9988104 1161.108969 4.07813e-08 4.07813e-08 149.2030447 4.07813e-08 4.07813e-08 301.8251997 4.07813e-08 1786.373006 4983.439 2197.532882 3119.145476 1648.137832 3341.30405 1343.954531 3782.303647 3118.118378 149.0290215 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 123.3118675 749.1009565 4.07813e-08 142.0122275 4.07813e-08 4.07813e-08 4.07813e-08 663.9733969 4.07813e-08 3716.854464 4.07813e-08 N-Undecylbenzenesulfonic acid 182213.3602 102068.435 153106.0041 75052.1272 99998.33027 121220.4172 104237.4544 116714.9291 203766.1158 145107.1711 66707.10449 110768.2333 67170.72203 152768.2755 109676.8595 138640.2781 87726.96832 128502.8412 85262.85875 66365.18369 72992.98311 83989.47888 76712.31893 66082.7389 61672.29125 103586.5621 125103.2699 50912.31957 103825.2132 136725.7497 116101.7278 125562.9963 54020.02158 82632.2003 947433.7817 171678.6351 121475.2677 120185.0984 88263.93185 69938.32823 125393.6983 109545.0674 124611.447 165548.0207 80194.55776 97443.05064 118059.9129 99662.19476 82122.17161 68774.56254 102313.7072 54288.98636 97226.2657 63844.43831 Isoleucyl-Serine 19814.60713 29942.27817 10297.92346 19120.13865 6882.915569 10669.74541 24793.93047 26008.29334 31873.19388 3516.097903 3844.313705 3678.710069 3174.42527 1661.292423 5448.215094 3832.768233 3171.101058 3119.882066 1349.150518 2698.532461 6459.818371 1532.004278 2591.758122 1762.177899 3051.035846 1946.176203 2970.318476 4148.908545 2976.768527 1270.233496 4520.999992 1725.330524 2237.043506 4055.498568 6841.258815 3579.846735 5321.376375 5896.021635 6852.885285 5453.966968 2129.639513 1819.460414 1971.701485 2211.982275 2072.583985 1833.058267 8236.7166 3918.801791 12337.04535 15344.48805 1758.259598 4664.803028 2548.886157 4837.752757 L-(-)Sorbose 328.9542134 4900.360035 89.96621368 6581.295485 2166.758306 74.17148557 1956.382285 2681.6393 488.6149533 10738.20823 9940.377007 17293.89052 12090.34203 14881.66313 5579.356712 8668.595816 7391.409509 10433.39122 287.8582304 132.7667648 4249.730582 6482.121395 3327.907128 4.07813e-08 213.0768278 4.07813e-08 85.35300439 8423.921527 9846.953097 13601.68168 6706.63791 9825.412419 12343.80701 10848.48154 9076.838862 11464.00456 4611.540006 1215.4953620000001 4593.004154 516.1795931 4502.395238 6552.899759 4.07813e-08 94.66270294 996.3854333 4.07813e-08 4.07813e-08 706.4975192 3538.355707 5146.345731 10358.83552 415.0611307 8880.145082 431.2610911 (2E)-4-hydroxy-3-methylbut-2-enoic acid 699.0435736 927.8263965 1167.207716 1191.842038 2057.952149 915.9901696 831.2393958 750.1568163 347.1008736 156.1444704 32.65210168 89.81821194 169.031575 86.66235475 35.4637014 81.98114331 4.07813e-08 44.30635442 1594.984732 1945.047016 1607.768044 1313.373626 1762.597766 1613.763651 1693.268897 1926.471257 2037.403696 154.891362 47.34526541 81.28844681 4.07813e-08 207.1505637 120.5475787 264.6552028 4.07813e-08 100.1298797 1005.413463 1312.216203 1454.156322 1676.106697 1548.805547 1742.872659 1492.538106 1681.119282 2202.869029 1385.269977 1063.909601 1088.635581 1028.729125 1242.14986 157.9221485 1262.162607 72.96508976 972.4142238 6-(3-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 134.1419476 603.1847524 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 378.4243718 352.5414099 283.5806739 7193.746262 7823.514676 9040.83121 7937.589471 6321.96069 7474.779736 7264.891396 2576.084866 8065.549388 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13348.70421 8858.174055 11693.3403 4639.781491 14033.13776 12132.87337 12957.59331 3517.481276 13067.0455 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.51474636 163.2081298 11822.98905 4.07813e-08 14313.22672 4.07813e-08 Veranisatin 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 1291.982305 7367.872637 3199.888047 1044.634342 2039.131452 2274.348971 8481.593351 12644.36199 2161.163328 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9113.343637 1600.869514 29871.76646 530.5752811 11724.81743 8848.709934 2049.677759 8459.701428 12827.74772 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3287.997866 4.07813e-08 6339.326025 4.07813e-08 N-Vinyl-2-pyrrolidone 604.2854942 113.3496845 795.3507821 509.3469029 477.810726 470.182798 378.9850347 98.5503229 190.1276493 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2015.532308 2274.853791 998.8815677 1267.467407 1655.60061 1887.522653 1702.408299 2400.19922 1653.247237 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 946.6610032 1124.981185 495.5970051 2542.611923 1465.671934 2244.048834 1968.856318 2213.763106 2064.76898 830.9647838 964.0488391 421.0719855 168.1429088 90.99614461 4.07813e-08 331.7463994 4.07813e-08 820.9694673 Pterolactam 4.07813e-08 84.78772254 233.3782701 40.28673858 4.07813e-08 167.5294769 268.1795402 88.82299061 262.6267707 123.7787726 41.91704284 4.07813e-08 192.0695495 100.1252135 4.07813e-08 45.3240353 39.49682479 73.64187848 2532.482265 2529.619503 1721.838991 1749.018574 2259.665097 2273.783205 1802.903244 1816.216412 1872.322751 144.3428408 162.9808265 4.07813e-08 41.61973813 429.7419254 68.49377133 107.0680443 4.07813e-08 4.07813e-08 1253.584336 1377.886873 1660.956292 1656.582522 1960.171402 2459.093946 2265.673763 2014.51142 3245.457128 1283.062584 1394.546145 1352.95605 1106.953576 940.0769419 200.7379552 1165.511308 103.4893495 1715.70981 1,3-Dimethyluracil 4.07813e-08 4.07813e-08 4.07813e-08 48.99709749 4.07813e-08 4.07813e-08 53.17635651 4.07813e-08 4.07813e-08 7939.124957 8988.59714 10051.36313 7630.156108 7630.210693 2543.140986 4423.935611 472.1548001 207.8165764 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47.8407152 4.07813e-08 1943.785298 3546.648608 8902.537558 54.85958208 1286.003048 3226.741348 12990.78339 777.3621293 2415.92529 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1921.883047 4.07813e-08 6008.934457 103.2371795 6-Aminonicotinamide 4.07813e-08 727.2865918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 67.48711496 4.07813e-08 195.3933074 6022.936345 4435.329698 4975.0797 6214.325903 5018.509706 5114.069263 5225.332511 6054.010813 5495.439249 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.00997504 4.07813e-08 4.07813e-08 7330.538081 6978.88477 4897.997919 6698.388216 6132.110284 4868.977518 6520.067594 5770.425506 5476.313572 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65.31379921 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49.792915 54.13775799 295.9031733 1095.120055 6667.168437 85.26678214 5960.110459 150.0430876 1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)- 4.07813e-08 460.0451523 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66.75315657 4.07813e-08 21525.58276 20059.99677 14162.79369 23138.63786 14237.83012 12429.05979 8985.674846 13097.06459 22391.14482 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17516.85292 19089.72947 17247.48473 11429.90504 23169.39465 12978.35799 15666.37591 7915.040476 16256.47542 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 477.1415237 20581.33404 4.07813e-08 14480.7598 4.07813e-08 DROPROPIZINE 2209.406546 718.0527531 1527.318086 2245.575401 67.35306102 390.7525333 590.1340875 5311.907487 41.93260326 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 87.29728632 1544.024798 4.07813e-08 4.07813e-08 1617.284962 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15005.54429 4.07813e-08 1224.696704 4.07813e-08 4.07813e-08 795.9801074 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 64.31791245 611.4191889 2519.935885 4.07813e-08 112.386572 4.07813e-08 4.07813e-08 Propyl propane thiosulfonate 4.07813e-08 587.2323962 10.77135186 90.49591395 4.07813e-08 3.289673227 122.1283551 44.20666535 34.44540131 6284.012051 4305.673532 3232.059895 6440.66901 1463.111908 4524.99459 1742.212715 2557.490589 3504.499493 4.07813e-08 4.07813e-08 0.92367162 4.07813e-08 28.52227053 4.07813e-08 0.963373971 4.07813e-08 36.51982849 5307.836398 4866.419429 2422.810466 4341.549628 4060.16498 2916.323274 5556.378312 1724.324187 2697.865871 11.98128739 113.7603801 17.04591817 25.62999214 4.07813e-08 38.35200683 4.07813e-08 105.1665663 104.7710256 4.07813e-08 1.870222972 4.07813e-08 108.8307806 377.3617119 5382.394049 6.257767112 5563.985168 4.07813e-08 Prolyl-Glutamate 4.07813e-08 309.1610119 4.07813e-08 131.3918321 4.07813e-08 4.07813e-08 1207.791069 282.2815144 179.6284573 13298.25839 13360.86721 4134.914063 13135.57857 7537.108226 10356.81239 4983.092397 1185.728155 8761.890788 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 134.3113159 4.07813e-08 4.07813e-08 44.35244381 4.07813e-08 9752.258358 13367.15258 6931.8393 4026.375639 4712.830763 7124.896438 25303.55221 639.6118586 5276.722797 4.07813e-08 4.07813e-08 4.07813e-08 30.57191695 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 186.1162917 394.1465475 15709.48696 172.8039627 13783.09946 130.6799284 De-O-methylsimmondsin 946.3970158 1343.671673 531.8572113 83.15499803 82.6832786 489.0686748 764.1168427 1187.999468 611.0023939 1429.314097 267.7897542 338.8264798 1338.581027 171.8164807 419.2450308 221.7705203 182.5678417 424.6788407 1362.772884 3026.051607 9565.237252 2508.142771 5146.181221 1741.731055 7740.189985 2310.333776 1962.662325 872.2799647 368.2956108 4.07813e-08 611.6732143 605.2144297 220.4277338 1314.123127 306.7172124 338.0841499 7283.899614 1397.39228 10696.04054 9503.430241 3205.97348 6171.205849 928.3271759 1150.453716 6542.052117 13667.14113 1120.129248 1065.000841 1259.37391 1038.632061 816.7449434 1107.901577 578.332946 1124.930389 Deazaflavin 95.81323016 640.3746799 734.0966133 1549.381973 1633.767079 684.5145722 640.1826571 606.7451493 598.0199506 485.5448752 769.8675661 1635.352578 559.8414992 1320.101389 554.6234924 713.9182655 279.424498 797.148042 1108.08601 1032.500127 945.8842396 608.2597748 1538.989922 941.4089671 876.8708969 937.9632713 1180.404751 803.5587585 780.9910818 1465.777308 511.3852709 855.0224559 608.4249256 1168.545795 644.7704873 1430.013847 657.7352495 637.8765171 584.2304375 726.9585838 754.3403498 1437.630256 1019.62182 934.7460817 1190.364363 500.6858685 684.4392908 646.076431 941.2074696 1496.357763 1049.026431 823.0728516 772.820348 899.7599152 Butyric acid 3290.419691 2641.922808 3000.471865 2993.724776 2611.511878 2629.187835 2852.767506 2080.447084 2207.295949 451.2152715 576.2688525 352.0976839 600.9492226 434.8690841 359.6171644 226.4629706 115.4167308 502.7060944 4116.452606 3853.402218 4330.240238 3718.326668 3650.71207 4115.022015 2951.794193 4094.72014 3655.787065 211.751622 232.6427248 338.9777935 349.5814967 422.6430466 334.48856 779.2539381 574.5354919 1039.312874 2862.740907 2744.774417 2985.906882 3345.891873 3283.228604 3472.945031 4109.479781 3964.163088 3787.094863 3922.431981 2910.193465 2721.90554 2439.44761 3635.770711 326.1528439 3417.67023 433.8633337 3303.935549 5-Hydroxythalidomide 1746.414043 1732.999523 959.9585554 2162.019931 1851.971169 1729.2451 2794.387765 1262.794855 1620.20807 8.611787852 4.07813e-08 14.20420371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1734.008338 3341.612302 1525.607957 2389.347898 2583.072466 1506.219118 3731.391821 2231.341115 2859.791783 38.61471272 4.07813e-08 4.07813e-08 55.05437656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1749.156538 4467.909641 1291.344232 1622.067258 2923.820544 2114.471032 1684.066972 1859.82836 7706.009167 340.4408314 632.123789 1233.427714 1703.830764 1626.542249 4.07813e-08 1220.695011 5.739576974 1984.290491 1-Hydroxy-2-acetamidofluorene 277.9982445 1702.962958 3383.762013 7887.725473 1352.306138 93.44451945 522.3692963 7501.344984 2778.655344 114.8341424 1779.360637 672.3197483 292.9803029 37.96551708 407.6137389 137.9511891 216.1939944 73.46394029 2034.07176 2729.373514 15022.01893 9475.550081 8654.956713 2049.528189 2472.39416 7060.568752 2726.580859 376.71138 763.9400544 6844.290169 729.9611879 6459.014065 674.0086543 13250.73871 187.0306646 93.75314665 4252.663922 2727.818096 21745.64562 2071.855073 12183.88954 10934.51527 1205.328553 8776.619638 2471.047234 13086.6475 15783.07112 10327.81383 4017.519777 7928.908066 7225.906418 10701.44445 2319.906055 209.7109216 6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 2371.459364 3601.042237 4036.047863 3536.856523 4959.532776 5767.280241 3962.684483 4218.466483 4878.405945 263.7937065 626.2004752 368.478518 229.9741096 220.2654872 262.264629 4.07813e-08 106.3971315 81.08602981 3513.331045 7920.948053 4839.740866 4171.609549 11276.69748 4997.724446 7169.040333 10319.53738 9394.27614 292.766018 368.7574337 177.3442004 142.5451003 574.2975175 407.1535713 474.710516 100.4824839 327.0830573 2218.981019 4681.193138 3578.434616 6757.760339 4661.682541 8914.040418 5782.218731 9657.948013 10971.11191 5935.365547 5832.853306 5093.796067 4411.896261 4430.017121 694.1864715 4984.803987 2263.82605 6614.068227 Norepinephrine (noradrenaline) 1593.519048 1224.144952 1710.92469 1892.993312 3699.229986 1969.185045 1880.500324 1983.163883 1056.562097 63.11415991 65.49297342 9.944673014 4.918686657 80.85355351 84.42185422 36.6927365 120.5892335 12.55505363 4059.528222 3826.469844 3322.783826 3066.675091 3912.330029 2799.683043 2525.840872 2963.155104 3664.06695 378.9716093 11.42469613 134.9747403 4.07813e-08 454.3265056 140.1123385 51.23785066 43.53703005 41.23438211 2584.813658 3181.772625 3304.242527 3366.417108 3435.957485 4813.7157 3335.049121 3306.159947 3333.005977 4106.57294 1599.655758 2435.27781 2672.213207 2870.241472 307.7293694 2737.734189 538.2660118 5037.516581 NIPECOTIC ACID 4.07813e-08 1231.954637 475.293017 398.1484394 239.6174879 4.07813e-08 132.6958733 799.078518 608.9653728 1135.881217 1106.789334 386.1586074 1208.044742 352.8537362 287.611508 122.1335662 910.0760457 909.7466766 168.1652016 115.0474379 843.856281 426.0114485 429.8432786 629.6841682 614.1422818 55.7391234 360.7651893 577.1310954 458.7581081 535.163162 569.3999594 470.122685 303.7940408 863.7312028 508.518248 949.3354056 914.0379425 318.7721959 505.1226047 206.700918 193.1036432 282.912063 746.0857798 83.44725582 99.33962918 4.07813e-08 296.0919693 381.8903223 587.825371 1901.465985 796.384199 265.7569444 348.9734048 463.5854513 IBMX 2299.678962 5689.003933 942.4858581 1631.71379 680.20301 2011.897686 2535.612374 2720.639581 4934.151485 10425.96306 8557.242709 8065.140848 10599.47578 8025.980887 8483.365988 8677.05601 10883.26416 8217.613365 1095.10571 2192.100449 1180.081676 1529.777911 1748.3625 2575.312902 1785.095196 1350.676217 932.633519 6919.033915 8175.800592 7552.119218 6987.554271 7062.924093 7760.512516 8957.671676 5133.768315 8846.678354 1163.422456 840.290305 1146.109534 1728.255542 1465.410897 1900.540088 2250.83346 1439.48603 1258.833752 1809.048044 2199.018376 1153.62712 2432.730863 4405.040761 9208.132118 1243.829501 7389.192342 1257.880939 Pefurazoate 327.1024462 2020.613155 133.628324 936.8639887 202.7440874 295.2428688 368.7821533 606.2339365 719.2190313 2039.455954 2877.268898 1817.596033 2229.261366 2983.125064 1255.457902 1931.096848 2929.267281 2405.410172 485.024399 124.8906302 619.0645031 145.4141403 123.2429884 171.9694924 280.51329 171.8504972 98.69033709 855.5791306 2250.189868 2468.077049 1230.777003 3274.833374 3186.351318 881.4727656 943.5496832 1080.350353 628.0221676 232.7681468 304.7775562 201.1690863 61.23375957 88.23072484 46.61765418 291.6460227 1065.626095 51.48427276 192.2823191 45.84993245 456.8221515 856.6347521 1089.649934 343.6614236 4503.372643 158.2488376 p-Hydroxytriamterene glucuronide 376.5439548 659.8203757 594.2537933 1109.319726 1161.897051 636.2910211 471.0500435 764.0206723 589.1495153 159.0294159 325.3080182 468.7897835 107.3782108 568.5426896 225.6698973 4.07813e-08 4.07813e-08 448.3007655 1365.497033 1794.515461 1478.294472 952.2345427 1237.19686 1009.05895 957.9442768 1846.812773 2100.4343 164.1207786 324.5363697 602.8750105 4.07813e-08 485.8762626 293.0619878 117.7887373 245.2156108 566.5402837 607.3861893 1478.777816 682.5598598 1173.887504 1306.489696 1577.814334 907.7501008 1377.383447 1754.626888 453.5320355 715.5370298 593.9796247 853.7686312 969.7932302 526.9101651 925.5618519 229.2916216 661.2128602 DIMBOA-glucoside 4.07813e-08 1630.383354 0.274223074 123.5697728 4.07813e-08 98.10959411 951.9706942 960.490749 178.3741909 13250.02212 12163.20305 1503.39539 13790.58768 1224.658072 2502.027996 1297.597293 1322.899175 6406.925131 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 124.1215186 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3251.660232 2783.309558 3634.319146 1156.693087 801.2548498 1466.669243 9298.36762 1609.514194 2279.523538 4.07813e-08 4.07813e-08 4.07813e-08 7.686265116 8.741383542 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 415.198606 383.0583431 1146.529938 134.816859 903.4733029 277.5976014 PI(14:1(9Z)/0:0) 4.07813e-08 163.6966943 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5422.924431 7059.6193 10873.22999 4996.944503 2421.020196 7637.469937 4185.605913 2086.327118 2439.375713 4.07813e-08 15.4303359 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6625.027972 6703.049888 3510.175423 4410.850473 782.1766055 4020.967938 9793.420556 3275.446316 2006.19845 4.07813e-08 63.49381888 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40.27805291 4.07813e-08 4.07813e-08 1766.151116 5198.635177 4.07813e-08 3193.193379 4.07813e-08 4-Methoxycinnamic acid 1592.59779 886.1320864 1808.225848 2582.652701 3298.508479 3074.811893 2350.006208 1729.056973 1317.999594 44.04385742 57.33771061 577.7180164 87.54056751 946.342959 119.4746794 42.46704647 4.07813e-08 479.9439323 2691.106126 2377.957923 3088.681645 2247.733237 4646.199496 4007.41166 3621.428174 2373.761704 3279.607277 119.7232136 284.4732343 345.7843658 1413.998198 2279.058085 31.52627187 239.4880837 268.9373313 788.0374682 1576.083118 1759.667678 2046.926404 3067.190952 2567.269234 2930.953682 3651.435607 2191.50627 2847.502775 3137.462051 2746.126878 2253.659372 3345.816749 2032.3715 1007.444797 2600.007753 186.3307978 2638.939012 AM2201 N-(4-fluoropentyl) isomer 891.2941928 1179.454476 185.5806108 570.2426532 414.1807605 371.054612 710.8436792 1157.516282 1026.631269 333.8948137 736.3244818 353.7786385 1076.236236 439.928012 661.9773575 135.3185935 322.3254288 910.0827951 3265.109237 3035.609387 2824.50475 2216.025896 2827.081846 1970.958726 2440.557699 2526.920445 2478.393561 1116.61511 1316.225203 239.0457984 876.082815 1079.397329 863.0020062 1150.162964 142.0779163 473.5880739 2058.665759 1530.436457 2304.606608 1539.998984 3321.199195 2917.247911 1327.057669 2435.4448 3759.82731 898.4733432 1435.644317 1692.725935 1830.8508 2019.327837 1685.24603 1290.841281 1164.207928 1214.413797 3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione 258.2648519 288.6707447 334.6215354 171.7550662 540.0616678 447.2789214 339.395797 282.6746059 325.9646316 214.8321359 114.7301027 37.19990061 100.5652434 178.8258265 71.92874929 34.1217713 0.022050848 135.127099 507.3652642 459.8577809 460.4185241 469.3368828 671.3440175 442.4923362 498.1813261 508.8979275 493.5090411 45.92926869 111.4270321 4.07813e-08 111.8753464 51.900853 51.26122684 175.2707112 4.07813e-08 137.5241411 244.0017685 283.2626722 250.1861649 406.05729 381.4880966 641.9879057 454.3879214 541.4952593 429.8604176 330.3316006 407.4016543 321.6555841 422.0669901 443.4819622 142.8150592 390.2649448 42.21652793 419.7224584 Benzo[a]pyrene-7,8-diol 155.3288637 820.9077393 1650.727799 2368.545097 2238.438874 1459.457639 1727.656479 250.537049 94.00138531 408.7694805 0.366407531 2004.47211 729.5969472 1217.119781 904.6794128 729.8077085 267.4545187 773.269086 4413.962524 3489.504885 3598.517075 3767.543554 3980.715344 4097.456032 3452.486227 3931.896399 5192.524189 920.1206346 2355.397981 1574.917242 2225.447109 2044.348292 1634.238769 2275.109503 678.5813281 2373.247657 3485.44723 2793.283473 2796.656201 3676.221287 3620.776866 3875.55073 3507.885151 5103.376078 5129.01836 9938.59912 9670.065871 3873.055077 6121.023183 3299.71263 2293.397456 1887.363239 1772.808987 7165.427267 (10S)-Juvenile hormone III diol phosphate 12518.48016 10469.02331 15161.38239 12428.88987 17413.53794 11059.59121 11248.1008 8239.214031 10352.7037 4270.492569 4997.153539 9225.367509 5185.681698 9025.430259 10848.51108 8029.011173 4745.214396 4912.915976 17522.18876 16518.95596 18591.99963 14497.48974 16065.24847 10707.23772 14645.3493 11187.8034 17651.13395 4849.782476 4322.583384 10375.72125 5163.661555 6789.107626 6961.704645 6905.328084 5093.794703 8023.634046 9944.684746 11401.57853 12188.98375 12770.32703 14524.37781 15449.37698 9983.74944 12705.71463 12544.90955 12628.32543 8606.002497 13820.38522 12443.67433 8902.65722 7127.775261 12213.72325 4579.772004 12060.006 Palmatine 1861.357989 1258.610464 2176.817658 3314.387738 1224.443994 1908.750906 1216.399769 1974.340277 1787.949677 1053.07337 1365.171733 1096.917771 1123.913594 914.6924728 365.3860709 235.5851732 873.2798415 1200.758676 4063.481852 3084.337811 3561.235608 2448.289037 3142.95168 3132.256269 2599.843192 725.821888 1948.40131 520.5169275 1997.297592 1137.354383 534.5765362 1220.58468 407.0152163 2210.768096 1007.130993 1260.731866 2582.23298 1056.73547 2214.005308 3142.958827 2725.372712 3313.966965 2094.844703 704.4704355 3928.521466 3599.560135 3871.45521 3982.895613 3761.123053 2654.999965 2112.342055 3225.312235 472.2730886 3014.635432 Harmine 597.8740283 259.4010403 642.0805367 216.5723545 242.3942778 1252.974919 434.4473423 475.5785916 580.8883213 211.2541352 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 856.2070887 652.3477613 470.3724563 776.7256339 941.439889 590.1468133 917.5792301 810.3652548 784.3950813 4.07813e-08 50.33198473 4.07813e-08 154.4409731 4.07813e-08 4.07813e-08 135.7310936 245.3997601 4.07813e-08 921.749752 543.8957733 838.852729 456.8817814 745.4959236 685.9198853 725.922172 1285.873145 736.016647 1304.015163 999.1437287 1088.594138 1066.329656 612.6346096 4.07813e-08 928.584699 4.07813e-08 1215.177802 Tyrosyl-Threonine 663.8216658 429.4217448 435.6110924 252.2209453 183.8436308 597.2232149 670.8512752 1769.855872 2038.05581 661.926985 195.6803772 4.07813e-08 623.790422 114.8978838 259.0648813 4.07813e-08 323.0574373 1304.165909 800.5172512 1223.317909 210.6227612 667.2485515 460.4679575 455.5279439 543.4732922 176.8508843 449.5529221 71.86626102 354.7153647 4.07813e-08 4.07813e-08 226.0405411 197.5335899 297.4016526 4.07813e-08 95.82528496 586.8212102 598.1561741 551.9691556 606.8976256 554.2806315 856.0451397 489.547169 307.4075907 259.2205004 231.1967264 198.0324265 643.5422369 506.4186355 280.074503 321.0529889 546.9430497 4.07813e-08 224.3736579 Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate 2017.438326 1781.38594 1959.841276 1167.985323 3037.337123 2145.319132 1783.805923 2008.946442 1273.11352 3739.105706 3565.27398 1924.618286 3387.228478 1793.010594 9462.503595 6552.641478 3196.806246 907.3506492 3384.161481 3824.46034 3553.561743 3207.927228 6250.907759 3748.944642 3884.760028 3177.438462 5231.421356 1582.009227 815.598727 2119.745574 752.7801292 3239.053432 2100.226023 1863.886898 1310.062108 1400.167139 1967.353294 3326.809268 2483.791089 2982.924192 2755.922178 4839.058923 3976.803173 4418.73254 5335.927119 2672.150707 2222.485799 2052.512981 1841.57843 2862.485402 1631.3298 2985.66335 2953.42987 1963.310757 Furfuryl pentanoate 6120.81752 5039.732139 6214.723575 5375.130883 6295.636899 5500.703278 4724.200621 5443.781579 5496.291604 2094.227754 2153.55261 2251.913296 2765.398551 2226.610689 2607.152697 1767.705919 1083.240248 2940.058547 13078.17868 10511.08582 10860.95553 12163.6967 11454.60884 9756.363155 9156.629613 12794.42317 12218.75316 3078.042021 3456.520703 2305.588081 3665.038416 3434.895609 2770.270875 3831.104378 1905.947162 2184.619602 10339.82359 9213.973184 9663.759639 9178.430219 11826.19812 11653.71817 9605.218807 12611.01818 13346.41172 10525.34557 7862.189934 8704.771656 9280.430791 9524.662854 3950.260738 10280.31451 3143.754055 8459.823857 D-Ribitol 5-phosphate 3968.817106 3410.153909 3065.788946 3162.587566 3707.174059 2996.641868 2869.688927 2299.816663 2381.121165 2498.92188 2083.489019 2226.83326 2111.072861 2553.427225 1835.997281 3057.965051 1379.858528 2761.399222 1573.475788 1503.24721 1528.432241 2170.143399 1548.154651 1582.480522 1814.317097 2268.059908 2194.213199 1592.611811 2153.124686 2119.437096 2909.512378 1901.717706 2090.321535 1812.861471 2253.41042 3158.01314 2560.776771 2232.825313 1923.702961 1828.890961 1446.333881 1591.452774 2151.184235 2266.462758 1988.146516 2310.975626 2286.118457 1991.859129 2176.930178 1824.347063 1273.884967 2015.49621 2077.89115 2845.821627 Mitoxantrone 383.8159975 1221.998155 108.0367947 327.8197539 765.0202478 164.6200157 1171.842837 1229.219228 1009.251367 11571.6224 9719.060077 8510.272473 10419.3091 7827.111333 7709.793954 9756.658482 6447.404699 6132.620255 2273.333762 2713.566651 2618.447313 2130.487801 3689.360376 2602.090073 1963.032563 2496.360513 2973.781798 6547.883985 10099.58996 9487.883419 3060.666317 10068.20922 8878.688414 16431.38059 4012.150274 4517.457088 512.5382797 2089.515476 1748.852865 3129.11153 2645.338203 4021.644613 2826.02879 2511.321343 3506.579616 856.637178 562.1703898 1499.061247 2321.770297 1971.605124 7996.32632 1239.069739 16457.10661 1727.146079 (3S)-6-Hydroxy-3-isopropenyl-heptanoate 2351.499759 2306.099032 3839.857489 3506.995083 4311.737568 3304.701993 2591.836639 2489.46246 1869.21462 716.2763551 478.2280058 365.7564928 690.946369 329.345016 896.9770466 208.4383101 4.07813e-08 480.0649182 3732.326805 6509.53817 7932.829762 5865.503541 6033.003639 5587.003415 3939.242072 4627.752222 5206.89807 145.4332579 350.0468447 375.0044736 385.7518796 347.1710998 489.8082472 511.587077 238.576182 1082.276347 2581.139796 5028.175477 4835.016419 5429.830713 5803.175231 5925.905398 5019.778274 4209.024473 3917.970075 6536.253976 4064.937879 5298.068934 3547.289476 5167.83289 376.1394116 4843.200947 569.1630528 4062.938987 2-Phenylbutyrolactone 1106.377686 1305.154382 1461.91638 2132.249414 1809.461288 2141.784103 1402.835385 1927.404042 1579.021809 12114.98489 7452.42399 4208.661634 12084.41012 3469.857195 4500.479773 4040.420966 1948.253322 3735.288845 2064.383448 3058.771413 2212.627061 2662.75752 4031.822804 2788.435227 2301.423802 4018.641518 3860.069361 3048.881254 5338.242718 3556.256997 4457.585201 3603.805966 3972.630053 4098.457503 3583.80523 3558.37926 1287.883273 2996.838269 2724.105831 2425.087644 2364.400002 3147.499585 2251.108699 3896.437464 3549.204924 2800.12303 2029.914214 2837.462721 1729.603076 1653.900018 2953.30648 2552.631029 2554.225973 2764.60681 2-hydroxy-decanedioic acid 2117.219887 5452.343684 1331.711513 3199.77133 223.3268113 5481.719687 7174.431661 6463.898043 8203.235836 7202.300044 7989.11976 6550.341748 6396.068302 3364.437003 7735.145002 3480.95077 6071.890498 5371.211101 27.31050959 75.21957537 106.4900519 81.28836741 308.2091242 15.0207577 66.92684045 109.7270743 20.55184367 4378.408681 7048.80642 5209.414673 3792.651155 3593.046929 4888.046928 8387.810673 3169.682267 3279.083627 803.6063938 1036.637383 1323.909534 429.7467211 30.69711063 89.12168651 32.506422 90.94093502 205.7580221 26.73323646 554.5922359 994.2805839 3067.897005 3287.856283 4342.815888 680.9553467 4075.066045 2125.100178 2-(2-Phenylacetoxy)propionylglycine 291.8905157 7018.207237 576.3229895 1001.792648 765.7974831 1020.471334 1846.841286 1324.156212 866.5129963 9674.733728 6959.246613 6352.866769 10096.88097 4715.881955 5335.813885 3733.860921 5671.108378 12248.0253 845.3752144 1463.219667 966.4353188 757.2535517 1627.006502 1679.306081 1270.391135 761.8333095 1408.110914 8123.146519 8510.467957 7255.34682 5850.831069 6501.87722 7279.253516 8927.928072 4574.564582 5659.826501 710.0426225 578.5008514 566.3016008 1048.688564 1213.388264 1569.083509 1238.985879 1001.278832 1342.966172 940.9893591 764.356789 1153.38356 1983.869934 4092.338546 6293.825667 2021.178658 5342.675067 1587.573067 Beta-Cortol 3495.622511 4560.366907 4098.262146 6119.790616 9827.333597 12094.26874 2842.847757 8818.273235 9267.214273 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5563.222017 18077.98144 5683.796631 15135.49924 11113.15809 20037.64877 7991.650543 3456.704265 2171.102238 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6530.495597 13357.80017 8660.445269 13154.00136 12637.18201 10754.80479 20759.68292 2594.59757 6068.293854 8134.915889 18311.6903 9104.213947 4804.669276 9739.759123 4.07813e-08 3444.267255 4.07813e-08 3389.738 4-Ethylethcathinone 1988.349612 1178.986839 2195.540937 1977.591799 3064.394386 2855.41868 2301.683881 769.4666015 1574.115014 111.217076 4.07813e-08 4.07813e-08 155.2980787 549.2702644 955.883176 79.19834959 4.07813e-08 479.3093098 1642.625844 1191.715846 868.0007817 1067.260074 1217.40789 1359.804895 903.9172537 351.2546488 806.4325075 4.07813e-08 167.5453096 4.07813e-08 172.5975058 4.07813e-08 4.07813e-08 135.5075765 4.07813e-08 659.273358 1240.391963 854.5189382 1249.669123 903.3720152 1151.427864 1409.519832 1389.325024 919.0408102 471.2052793 1997.07764 2209.656179 1499.562199 1428.663773 1117.158524 245.4042486 1408.236779 4.07813e-08 2201.241994 Paraoxon 826.0299249 2350.893392 387.627971 549.7337918 72.29482533 4.07813e-08 1245.894603 888.5671542 1241.462002 4898.60718 5770.368742 4600.642969 4092.670737 4895.345306 7060.011074 5657.205591 3871.045684 6926.828936 136.3064181 514.0686063 95.69498907 4.07813e-08 4.07813e-08 4.07813e-08 218.9541583 292.7053978 107.7438274 2892.735509 4891.667863 5111.076283 4954.96075 4650.168144 5787.684599 4627.839124 2518.315947 4485.975935 767.5350237 165.0256857 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 203.5047142 4.07813e-08 4.07813e-08 538.9783615 230.2046238 667.1504278 1761.28689 5347.396941 695.6842846 3930.818536 482.7502267 2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound A) 6647.167662 7474.10061 7169.27398 7926.011145 8282.396611 6417.177606 6971.128168 7076.949487 7728.309722 5689.396309 5472.485716 5377.304617 5889.501683 6080.175712 4701.702421 6081.802535 4668.280875 6472.158252 5563.146262 5733.870855 5037.700493 4283.334451 5485.143965 5031.861451 6123.005771 6901.885759 5561.056765 4792.460301 6275.425234 4610.257929 7058.909951 4857.029874 5196.14671 4892.164612 5428.299874 6489.012299 5469.554323 4103.942829 5344.290154 4676.560674 4779.754361 5226.721171 5842.804405 6583.691509 6513.118638 4743.63096 6079.079735 5632.444728 5636.232716 5448.152685 4652.923214 6418.439113 5755.532417 7418.814473 Isobutyric acid 1067.868146 2834.246267 793.7185124 1709.74285 1747.102083 1250.52289 1053.858607 462.2257976 1417.614456 2404.176256 3471.154596 2718.336572 2963.171649 2308.851282 6542.336893 2472.608809 939.7894618 1330.69304 1286.356417 663.9016753 871.7564841 793.3149662 278.8896002 426.1368582 504.2074767 1472.358674 122.5101209 1352.200994 1659.273432 1798.927367 1327.841126 1571.045157 2678.863741 1757.766028 2788.369795 1776.785128 1390.228993 1152.974247 1072.842612 455.0279454 819.4145969 420.4529114 243.9392713 2185.408723 729.695315 376.7810018 233.429257 452.032614 683.5079389 1402.420297 1535.568957 623.4811307 1230.978329 332.6105234 EPIAFZELECHIN TRIMETHYL ETHER 3648.361761 5035.31711 3602.496418 3694.679911 3741.907977 4254.864017 3549.31156 3517.135038 4039.156286 11915.16936 8177.449477 8219.11791 12832.08405 6572.109504 8853.572663 3098.978025 12489.29322 9664.041192 5263.20049 5652.454193 5643.524648 5418.175612 5785.971513 6159.917114 4226.484055 5610.490809 5296.969931 10450.53198 9423.640469 10102.41376 5066.76989 11778.96828 9352.345733 12086.12911 7372.5559 5672.523629 3810.460365 4341.121466 3926.231281 5859.605587 5877.576702 5136.661972 5851.071977 5423.972827 6187.86455 5416.227384 3251.696039 3605.494609 3312.263739 3212.028624 17240.70936 3319.358186 9446.125798 3491.042384 2-Hydroxyundecanoate 2768.057708 2086.870181 2385.275722 1573.568081 2670.151566 1073.792695 995.6769905 1104.832503 958.9879858 750.4337347 597.2278599 442.1861486 707.1083159 302.0585924 53.48587657 4.07813e-08 120.5924421 193.6783138 2586.596348 2660.79804 2921.777709 2149.340634 3174.391321 1771.134713 1354.682564 1341.004136 2089.257676 4.07813e-08 4.07813e-08 131.1202986 227.6355891 62.73672934 153.9652188 477.2400618 43.33634512 325.5202402 1350.348105 1787.983805 1993.031389 2591.077642 2675.168236 2330.547297 1746.894681 1453.215542 2166.410191 2374.204994 1735.675509 1552.063762 1171.171328 2064.717999 4.07813e-08 1909.326655 393.4607681 1802.331594 1,2-dihydrostilbene 577.6469747 520.6678776 780.2302582 902.0118176 335.1322693 2438.883504 1848.953097 564.4238888 1016.244931 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 493.6492519 1135.05892 1618.962842 562.6409352 2575.965834 4259.048406 2216.938562 3123.232204 2268.669985 7.786569341 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 440.1063018 1038.346221 827.6350748 3569.623547 884.7370094 1928.442874 4174.110862 2670.909767 19.00741005 2447.520832 1673.614237 1948.677093 129.1614588 1106.509167 4.07813e-08 742.0415265 4.07813e-08 1340.696959 Portulacaxanthin I 404.7381902 104.7522187 384.3852599 4.07813e-08 806.1391026 319.7446661 229.2156741 472.5501317 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65.56190532 4.07813e-08 4.07813e-08 4.07813e-08 1595.146847 1352.310638 1591.008269 590.2926852 3634.572723 2110.869928 1702.985682 521.8246143 1641.383454 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 82.0292511 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 393.8668138 657.7411159 3639.99911 1160.451247 2519.26832 2089.818761 252.8026122 1630.12722 464.838118 1078.784337 341.3939537 847.6802386 609.6242647 4.07813e-08 668.4063968 4.07813e-08 1303.885535 Gibberellin A37 9987.292549 7278.936229 8932.169091 8761.515611 10601.24181 7387.718374 8829.367132 10147.52291 8222.360925 1939.454547 1462.650798 2101.333553 1643.500958 799.0220425 582.1373042 2818.929982 891.9823582 843.9546305 17698.98577 17300.78096 15530.3561 15335.94013 18494.52223 18196.30334 16563.20236 20043.04995 17796.4369 831.2978841 1835.178747 2615.675737 1074.919681 1745.760127 2180.534358 1892.644775 1321.913226 761.3510142 10145.06719 14280.06549 11474.209 14457.59853 16811.5749 18553.55239 15785.03712 17989.52798 26677.49267 11378.31612 12170.41447 11341.4001 8342.733511 7840.546956 3788.189744 9435.859304 1541.305215 11270.0683 Coumestrin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 495.4804528 17109.8352 4.07813e-08 373.8989897 4.07813e-08 547.0811865 1177.411708 29312.18543 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18829.04412 4.07813e-08 2589.505973 161.5622201 20222.39312 6482.040206 168.7877008 9245.563131 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 623.3093137 4.07813e-08 6441.720546 4.07813e-08 Gemifloxacin 23501.01336 25080.44439 2977.90371 11567.1558 2284.808454 10546.931 6512.404024 425.6692746 31126.52185 477.8214269 606.0010899 707.4545722 888.8007593 264.2457386 435.7398013 438.7265397 218.295418 589.9264813 4.07813e-08 266.9430494 372.7390883 127.1266342 444.6221077 4.07813e-08 230.1175549 4.07813e-08 4.07813e-08 2241.780334 1337.597629 1991.217751 893.8076271 636.1571317 1095.305733 434.4000009 920.3179419 1425.977498 27250.78665 4.07813e-08 4.07813e-08 4.07813e-08 13.79354472 502.5293055 5.148331496 169.722114 4.925242824 9.998302517 4294.201964 13423.30852 42246.35377 18584.43925 3046.865291 13632.13521 1459.167679 4.07813e-08 Adipate semialdehyde 483.9661282 571.0339112 759.2788857 955.8791216 1105.727637 656.5761398 611.8783329 362.9724864 4.07813e-08 192.090108 244.7639025 86.49598088 350.8133554 108.9495478 214.6748925 71.17346545 68.43953236 4.07813e-08 609.4426441 665.8468009 536.9331548 828.5584439 2360.306259 390.34707 902.4427152 497.8378424 1033.875018 189.7073624 188.112153 4.07813e-08 92.53861141 4.07813e-08 83.2983994 165.168694 56.17930032 4.07813e-08 644.044434 321.9253089 510.896675 1147.896419 468.7333393 1903.557456 439.4042722 965.1248461 551.3600983 490.9340337 820.4184107 904.4338811 1098.574142 1337.409511 207.7394626 1061.046816 265.5773844 863.5130009 Perindoprilat lactam A 66253.13598 35802.47477 66581.22124 72701.48972 74350.47614 89900.51297 85576.1399 59648.16944 27769.33563 4.07813e-08 0.039867776 94.53648368 0.879101662 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 146.6112542 44878.7788 65599.67715 31158.39263 42131.42465 48147.91691 70790.96085 53319.97313 25274.25216 36006.35366 118.7126228 4.07813e-08 4.07813e-08 4.07813e-08 167.4188361 4.07813e-08 12.30482287 4.07813e-08 4.07813e-08 51206.06415 51049.98991 33492.26119 35566.59133 59372.68282 56571.77711 79302.88143 32125.32524 17710.88417 75690.0411 27035.82878 54146.63609 42351.21523 23068.31196 4.07813e-08 49479.78468 539.222803 115130.4936 7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.060416521 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21087.51375 12593.90918 483.082201 21002.29916 4.07813e-08 10784.0497 4.07813e-08 22832.06467 26912.46148 4.07813e-08 4.07813e-08 0.007961277 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23169.12841 22869.53665 67.22953274 18017.89071 20981.57215 7385.501968 26322.31478 2843.560679 248.2513883 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28891.67194 4.07813e-08 16697.86372 4.07813e-08 2-Hydroxyiminostilbene 220.4760074 142.6995629 4.07813e-08 246.950483 115.7176283 338.9427674 745.3260821 243.1977101 521.7537699 410.6954012 611.5138695 1138.10174 500.9759606 1874.717179 955.2451528 4.07813e-08 3470.146605 5840.410691 221.273169 79.66144325 527.4914922 369.1636248 557.5978519 446.3202398 35.50187306 201.7818902 304.15625 337.9405113 667.2125175 8555.928444 1186.082583 2800.018771 900.348562 441.6385168 328.7661427 16948.24187 4.07813e-08 64.73855834 4.07813e-08 88.80370245 657.385313 403.7673542 146.3563747 251.5382608 356.2689714 180.9738227 815.6362984 556.3193747 329.5341653 1432.838966 2925.343336 375.5715856 439.4641706 130.8490966 Diethofencarb 16032.32919 7521.434442 12828.05803 16967.79545 18375.23823 15358.16852 15634.42314 19559.0176 8623.989305 97.99271699 4.07813e-08 237.9080759 13.32374981 655.1622817 103.3543061 370.5659461 4.07813e-08 458.4404436 16782.31632 19355.15666 10779.83806 11405.33508 7010.780086 16617.20239 6993.604114 7533.095516 6306.872429 4.07813e-08 294.5553206 542.4974151 113.9124826 4.07813e-08 297.5636271 217.026696 147.8575947 1348.027356 13813.58928 17896.22099 9639.423246 15722.99502 20131.67565 13670.06111 25244.45833 11206.64512 7805.895782 41381.77329 9331.383322 16275.49408 11855.93484 5946.310059 119.3105953 13778.21844 6.399416999 35468.26493 Tanacetol B 58547.92492 50316.33896 51133.57461 45558.57204 51270.58981 61601.80388 64139.66541 49904.16681 52736.72514 19457.59534 16063.25349 10360.15473 19927.57263 8760.614947 14746.40459 4460.188281 4389.043653 14253.05119 97656.93216 94488.07061 77701.92302 83505.50758 99627.87193 96857.18254 84664.55925 89522.1941 87942.25067 6405.794784 15379.83842 9918.478338 8803.768577 15820.65871 12368.67176 14162.8527 3764.34831 8023.452255 57993.50871 87633.35126 71649.9411 76812.18726 89977.95207 96045.70793 86641.26666 84698.14441 120749.0721 71517.84581 54043.39185 66873.20308 50491.40243 47277.47512 16184.46552 62289.07678 13211.59399 63660.95242 Triphenylphosphine 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 17702.72243 2784.070369 8246.07713 13400.41116 5499.201289 8447.28869 3549.071422 2080.266211 5386.48758 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 264.4650974 8227.994205 3896.580385 5234.05281 5884.762524 3798.722338 2576.176225 3636.39106 7736.774105 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5152.083068 4.07813e-08 7240.044625 4.07813e-08 Lubiminol 31875.88067 21384.61002 25998.05369 24618.32169 28555.87767 32350.32115 30908.29466 19526.76062 22350.37846 2973.709786 3007.050152 1891.44167 4146.754445 2087.363682 1049.469592 343.4243522 144.2554232 1946.312448 50000.0716 46295.91977 35301.67281 41585.32802 51168.21348 51982.50122 40923.17343 31913.80037 30489.70638 13.66450981 3657.623624 1993.72229 1331.305304 4278.43801 953.0520903 3230.859267 302.5531454 2035.773772 29998.60747 45261.24235 39086.4046 33757.16214 43469.90428 49529.54078 48799.19273 30926.11988 46079.20731 37056.72922 28098.72207 37202.11204 25482.7096 21598.28628 1980.502416 36637.7653 2983.582693 26355.38077 2,3,5-Trimethylfuran 4.07813e-08 4.07813e-08 104.0469332 4.07813e-08 162.1593277 151.8673765 234.9659753 452.7295529 292.6260241 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1056.569279 1061.915685 1190.900106 825.6665566 871.435474 1644.082632 1502.662179 2750.989372 2047.198904 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 640.5886394 865.8674029 1160.098719 1189.930647 754.1573112 1110.973777 1627.570537 3097.656598 2066.234798 1899.316432 1056.655389 1360.504308 1176.113779 1827.772691 1053.512481 767.2240226 230.0677332 1070.390499 (S)-N-Methylcoclaurine 1578.830681 951.8323556 1700.068952 1013.717752 2869.484137 1833.301463 5476.975195 3015.869578 1797.311067 2196.640418 2634.920779 1919.04212 2780.778337 314.9673932 1357.46283 658.1000593 2596.317608 174.5274643 3206.531665 11243.19521 379.5028385 1868.815501 13464.70749 20848.14491 10017.87965 2897.297805 9989.950199 1208.34926 3189.282268 7335.562265 627.5430268 2839.243487 3391.537004 3110.562702 1719.751923 1642.770327 4022.774186 5777.138114 957.0883558 2910.787157 3903.97566 6284.218097 21450.3904 3523.052198 4697.306853 10426.79568 7774.257421 2648.861515 835.6253101 85.55259768 4356.816103 1363.513636 5675.288721 15571.09954 Methyl 3-methylbutanoate 2961.478349 2165.959662 2451.233507 2615.578751 2316.348098 1990.66318 1456.742476 1429.99541 1340.776163 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1751.321766 1501.558055 844.8202174 1003.501437 984.0533838 970.9120509 553.9742294 1146.833824 1166.634318 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 833.8873998 1794.168961 1247.969322 640.0030457 993.3871879 1103.165172 1232.016168 1522.35984 753.2741107 1445.546481 1643.237042 1363.609501 907.3637067 810.9990877 4.07813e-08 1236.462436 4.07813e-08 2712.888077 (5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate 14316.80927 8872.69618 12881.84222 16485.00193 13976.47666 14949.24582 11423.49285 10005.00609 9592.561663 944.7173393 1153.392061 2040.041626 1442.063282 1863.339678 633.8046367 4.07813e-08 4.07813e-08 1013.69914 23906.79976 25309.12495 17445.53092 21060.28668 22371.28281 20759.77044 17691.11836 20656.25865 21256.70054 338.0247131 1217.557799 1648.246027 410.2292782 1549.825226 1174.341993 462.5197155 4.07813e-08 805.5243787 13219.828 21590.36393 14698.68412 14205.33787 22517.64048 22385.76658 18966.37926 19289.57988 22330.5061 16250.50167 14329.50053 15704.73525 12148.70821 10003.60715 2328.117542 12588.43815 1084.984929 13787.28099 2-Hydroxy-6-ketononatrienedioate 4.07813e-08 4.07813e-08 276.8187197 956.5131064 943.839683 194.3184434 265.2511719 4.07813e-08 4.07813e-08 154.4241015 220.846095 1296.306984 567.1000658 1075.485012 4.07813e-08 918.3430395 4.07813e-08 190.2917242 1756.287302 3066.6696 1578.806052 838.2427749 1544.433579 2080.894273 994.3221019 2085.645253 314.3066591 4.07813e-08 312.5084526 989.5492882 792.9787533 704.110742 858.4665152 795.3756673 322.7987612 1926.540683 463.5436367 379.0347904 849.9995659 567.56561 2201.897807 819.3083272 954.2928638 693.512687 1325.125155 606.1056411 291.3560793 1111.047792 174.7418325 4.07813e-08 811.0537337 682.4630978 661.3787351 233.8411407 Antirrhinoside 2387.060109 2508.255867 4826.328825 7433.51943 6872.8489 9785.47603 6576.355875 9149.035196 18264.03395 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21625.21824 24254.40975 18917.30684 31579.66866 26112.05914 30860.36942 16734.08138 19749.85874 15965.21036 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21002.93606 9432.189993 12132.8985 12021.59045 37082.43415 20234.9195 23491.35274 14733.25418 21209.81365 41060.3745 39737.87563 20247.94422 13001.01652 14353.52655 10530.07102 24966.06373 3104.850532 17465.00949 Perflutren 8998.365592 7419.762561 8273.755334 8464.268334 7272.584055 8085.860873 6368.542987 7463.507394 7943.661647 6002.921792 5879.421461 6361.464119 5674.518211 7749.726996 5326.217412 7449.070623 4988.110557 7241.254843 5218.111955 5947.671917 5747.24297 6226.062676 4797.172346 5528.229393 5927.897723 6516.518001 6075.34906 5707.401411 6322.757439 6271.509035 6783.036899 5399.304311 5400.959622 5500.029297 6904.285636 7224.384268 7275.564122 6288.047758 6193.971952 5350.155648 4362.795071 5961.048369 5928.009974 6726.616301 7197.162538 6305.114226 6730.043544 6280.527552 6786.090594 5983.148699 5088.12136 6154.955447 6596.05246 7890.704832 Arginyl-Cysteine 4.07813e-08 2415.246001 2168.089558 871.1538905 1582.61622 1789.61607 3853.456085 1329.288037 812.7652398 4.07813e-08 356.0761993 4.07813e-08 4.07813e-08 710.0297256 4.07813e-08 244.5557061 2722.748164 84.24881251 697.6716394 446.0317068 4049.493063 1749.175519 3131.127548 1588.242677 4310.899265 4250.448899 7268.533149 902.2846121 831.0708838 549.9269166 4.07813e-08 457.9601807 576.3443044 4.07813e-08 842.4747676 356.1921631 1082.093072 2476.309709 4436.188665 2990.342483 1094.667512 2665.141902 1142.83591 2529.631265 10039.50266 9099.424017 2780.149673 2045.327732 3040.344381 1666.815705 168.7393026 1242.347584 4.07813e-08 3068.140326 4'-Methyl-alpha-pyrrolidinopropiophenone 108.6621512 1170.131152 981.8999752 186.5632514 334.8699908 629.7798245 1159.021536 4124.873703 1844.703322 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11770.79528 176.5970866 3073.234251 859.4137604 1981.899775 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 484.5407173 4.07813e-08 672.8936961 1023.527624 418.2900487 79.9398443 3189.480197 4.07813e-08 4.07813e-08 255.1488163 4.07813e-08 2324.19974 1029.06723 3493.513564 4.07813e-08 2500.992527 4.07813e-08 2148.68733 Deoxyribose 5-phosphate 3219.34881 2338.871645 2876.413034 1301.906796 1505.852219 4884.08741 2820.482009 3426.796629 5033.641472 2292.002394 460.7021521 1696.588556 755.467729 4971.371369 3377.241132 3802.357557 4.07813e-08 4630.043325 1880.086146 1339.70288 685.2247949 1172.937832 620.8156938 765.1507967 977.3094391 4.07813e-08 1003.410828 4.07813e-08 2391.728839 1382.930939 2552.762637 5494.82442 2029.389241 1009.656253 4.07813e-08 2432.250788 4245.138226 1177.504908 3628.984815 2178.439128 1087.894135 1823.896371 1809.729027 1273.297094 902.5994851 4052.008344 4.07813e-08 3659.746098 2804.144911 3938.875109 3105.669362 3268.09026 1559.398263 2232.460046 6-(carboxymethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 534.8222023 375.6065416 765.2721403 756.9105844 831.3165049 1120.078118 1219.908687 1358.884351 741.0367794 771.6549717 258.3730478 450.8111147 376.3738772 623.5052293 803.7909555 1523.83248 727.1511522 428.093757 252.7389932 327.8880257 71.4112525 1049.655653 1069.504805 784.6193211 679.8733304 244.4422163 891.2638082 412.6444866 641.455863 850.6621822 857.860216 680.247064 1131.590582 615.864818 1040.095844 198.0343248 547.837189 972.7907353 333.9843956 535.7295494 496.9602945 575.3513417 203.541691 366.2286015 668.7684886 1131.362975 1157.37538 678.3737004 736.7667151 844.4521177 468.5358097 698.5190619 374.0510467 529.5565618 12(S)-hydroxy-16-Heptadecynoic Acid 37169.00976 31725.22395 35061.29566 30280.68989 33541.19858 44267.98804 34861.38312 29605.27829 29513.88587 26254.86248 35823.54033 17355.70476 22120.91688 20835.36781 29868.11105 18355.99027 16686.62823 16772.38951 40017.15801 40648.21085 31892.27212 30702.93971 42768.71665 48266.34237 27004.37886 31524.63637 30532.58767 7225.857636 16845.52949 22076.77387 13896.63265 19199.54659 12953.45301 12695.73529 18499.3202 22215.69703 17675.65253 40897.61759 26595.5811 33112.86777 32150.12896 32000.20468 51033.7875 31086.78918 35036.75456 50762.75926 27023.39947 30932.56357 22774.82065 15878.43265 14607.58016 27364.35071 18221.34066 32788.41517 Ethyl isovalerate 4124.757249 2926.861474 3160.170397 3076.139339 2658.069545 1616.160342 1890.303042 1796.898782 2223.783021 4.07813e-08 257.0649812 252.1662775 250.1206632 272.6111481 4.07813e-08 329.0115637 4.07813e-08 164.3100348 2501.582061 2718.798938 2246.238546 2229.953601 1602.639647 1730.522579 1046.477448 3440.670738 783.8475483 82.03895823 248.7614637 439.2446891 4.07813e-08 129.6762697 4.07813e-08 133.1661448 4.07813e-08 76.14879587 1878.680285 1932.356335 1750.142475 1675.699374 2224.847057 1928.843179 2248.957296 4277.498729 1586.471557 2004.686414 2141.970696 1692.214878 1288.455947 1176.410516 4.07813e-08 1904.560981 4.07813e-08 3501.633761 2-Piperidinecarboxamide(PPX) 6135.4497 15821.1148 22248.77015 15352.67906 14865.69657 25650.71841 27733.11952 14462.12161 14350.1482 1748.187474 230.6598522 17217.69969 2583.141676 17390.58576 42438.69495 4954.463955 70718.34552 22670.25421 19171.48615 23695.74857 27486.6135 33512.13942 30765.60567 28904.69358 27006.02348 17167.41271 11242.29607 4382.611985 4219.72554 327.0388068 9052.513845 485.3296308 891.69376 2367.205607 14361.40079 245.7376696 15800.06063 16728.55989 26264.56471 40362.68155 37618.57035 24415.49317 28926.9168 12028.11153 14870.98943 40122.38875 23265.14823 30642.79662 21281.67437 11341.79435 6932.66062 18389.11752 553.4182715 12300.67815 Desmethyldoxepine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 481.0999967 4.07813e-08 3708.724845 170.7268447 5817.800948 7826.267618 6277.640564 458421.8948 7365.151804 225.4510164 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3927.861824 4.07813e-08 2707.53369 1272.04534 976.0352716 458.7843614 214.8234792 26075.87719 3276.772048 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 366.2708159 314.0895076 4.07813e-08 4.07813e-08 208.5521902 264.7127563 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 562.2254449 4.07813e-08 1008.495987 4.07813e-08 PG(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4.07813e-08 3189.335608 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73238.24363 1384.303369 323488.8222 53573.34035 477245.465 413342.9751 158177.5492 509182.497 437636.9719 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 190778.4773 152001.9834 7776.979737 165241.8465 37059.9025 29072.33694 138687.2811 288109.1396 51860.50104 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35466.22573 4.07813e-08 57719.93054 1005.739589 101466.6868 930.7763468 12450.48208 3590.781807 1-eicosanoyl-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 4685.423892 8099.057845 23234.49857 3565.747317 39504.01618 49416.4338 43900.19589 35615.74771 8721.218557 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 195.863668 19162.14799 8146.520802 7770.267685 12575.18884 7595.333598 12776.4708 17869.37366 27055.88225 14058.69757 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3948.593256 4.07813e-08 2099.290163 4.07813e-08 CYCLOPIAZONIC ACID 6099.820911 9330.857098 7363.231599 11057.93345 12056.8878 10769.82611 10641.73632 5397.941965 4647.915595 10684.78096 11629.56428 7814.996544 8773.808501 12032.87897 7824.236271 14917.09922 6997.138246 15234.99775 4384.065419 2136.434467 4740.135241 827.4571873 2751.337231 2335.694579 2979.546263 2799.918825 2517.885629 1108.979153 7047.527898 8582.662584 11186.796 6080.1315 9560.403295 6658.335615 7458.147008 14957.57229 1673.776314 3748.117641 2274.40612 2458.781516 2424.534933 3409.936088 1943.653067 2365.195596 6027.676201 3361.667612 4578.553428 2160.391786 2775.206667 1530.189002 4207.658655 6790.49305 10276.38298 10157.20185 Galactose 1-phosphate 946.8009882 2413.146734 3228.155674 1189.224456 9254.166321 14083.21061 1916.396233 2646.835036 2770.306141 321.806912 991.9139349 559.1018153 1755.203495 367.9715748 236.2962416 562.7339052 254.2803824 736.0664609 5868.231712 6223.166743 5121.413323 21235.61587 4881.429034 5695.596053 4907.719421 9404.037206 12348.21819 749.2713861 361.6958918 734.7230589 544.6755907 1203.987271 805.9329883 139.9978087 4.07813e-08 548.8365413 2701.268638 3430.076699 562.6977015 27200.49704 32675.95044 13325.04681 4769.100212 6222.909753 19160.94652 24045.56929 6807.014574 4370.417098 2280.894047 7581.61827 767.2202106 6047.910402 1684.41034 4040.12373 Cystathionine sulfoxide 18963.78661 23573.03334 13033.33742 27725.99037 11902.45977 8361.936164 12718.77504 17679.7692 9280.964403 180874.1931 114047.7388 466286.7948 139835.6557 713243.3726 409388.6686 134371.1871 410147.7565 149832.3574 3075.262403 2572.786162 4830.296343 4092.732231 5901.639648 3165.915109 5666.025703 8582.586019 8314.42915 657819.5893 560360.1757 242681.2919 541332.6169 152568.9056 151123.8433 151695.6854 1226572.459 387428.9784 1196.036387 2686.278218 7362.520011 5510.305994 6596.995254 7729.603316 6211.54749 4569.494551 8446.86528 7798.949616 6091.841132 4351.636538 13221.03226 21112.79806 385120.2638 10094.83436 311033.9619 142390.7534 1-Methyladenosine 18125.66519 32138.77411 25653.53172 32581.99873 24578.55452 21329.3506 40231.53511 22314.72551 21739.09861 46662.46881 31842.25279 22832.95848 43012.27483 19331.2525 29404.85017 14345.00254 3028.992222 27562.37586 9631.762206 8987.803751 7282.785016 8093.497331 11508.73664 4775.750753 11382.62027 9011.663283 11037.12952 27457.47815 31667.60762 16271.10812 26541.5372 39790.95342 27312.80399 25655.60551 5691.110515 16812.51266 14179.14559 11571.61616 15691.65064 13634.9095 9835.185656 8721.330941 8047.674256 8461.916473 5820.027379 7298.689175 6372.926936 15176.37711 13139.65188 24534.52121 35252.2704 15785.98235 32391.9079 13743.38709 1-Hydroxypentane-1,2,5-tricarboxylate 64956.75723 86528.21166 119883.0111 115151.5946 163352.9155 119593.7907 143131.4667 109773.2916 64212.47318 19187.46726 17228.44984 15190.07061 23028.58735 13328.43623 9581.692392 16296.00019 8357.77442 16597.13292 30772.67213 37404.11851 43401.56951 28880.45927 48558.29433 37016.50834 40001.34613 36377.52185 44766.88117 16458.34796 19008.71125 19432.51643 13616.92242 18677.23883 17565.34542 17934.45522 10429.20521 19923.93555 28801.56677 46805.98809 58664.03846 51588.00323 31739.27194 47296.54612 32988.52071 38784.43939 36791.61894 28005.77576 26465.32582 39415.60513 70181.27797 75374.84549 24764.80224 54582.52426 15716.42213 70420.56906 3,4,5-trihydroxy-6-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 1503.13158 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34044.96639 59340.08631 117406.7018 48817.40671 126486.6752 26068.04122 93317.11835 3137.122045 29086.06435 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.335870798 22420.79589 40753.5278 131861.4839 28093.27994 39043.36629 95682.21814 31771.47078 56998.84279 142932.2935 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1225.203794 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 39977.71624 4.07813e-08 34359.69025 4.07813e-08 2-O-a-L-Fucopyranosyl-galactose 39960.35263 48981.34561 51352.70956 51561.52753 47396.06867 43900.67731 45266.42382 39406.90711 43770.28158 65905.17181 65734.22764 59967.3019 61719.9995 47853.84683 34481.193 52093.98036 18110.47226 30774.14502 41402.47702 29966.10408 40432.80882 34864.49639 62296.13686 44805.75122 44303.53872 51641.96235 64705.0125 35609.38452 51377.22285 42932.26454 38323.27983 40580.17377 52737.24544 46017.88028 26168.99687 35609.63744 44435.95179 56379.29404 42738.68034 55251.49147 34965.74662 51507.03265 45638.21983 55424.1187 51810.65745 42482.67949 28978.23674 37069.97547 41000.52411 48713.31377 40301.82372 34543.76727 58421.71642 42945.28194 3-(Hydrohydroxyphosphoryl)pyruvate 87.19830208 1616.105872 281.3824411 4.07813e-08 688.5330728 4.07813e-08 84.70754451 1011.91836 1043.339671 233.2588028 920.2796189 394.846202 103.2179014 758.2640568 1000.668788 1350.488949 2024.25112 617.4953123 346.0035192 4.07813e-08 4.07813e-08 748.0023347 74.67901606 4.07813e-08 4.07813e-08 8034.663111 7225.261252 3213.821238 923.9108741 2179.012275 2947.717742 2659.334404 1005.501767 4.07813e-08 2429.71151 1557.701548 112.9088507 4.07813e-08 587.1380331 69.42090592 640.4803745 89.95881995 4.07813e-08 9866.932782 1200.841001 208.5646384 420.70937 382.3212547 684.3454136 501.5206319 927.0947643 248.9767322 3213.977602 4.07813e-08 L-Homoserine 226.3708344 199.6185452 145.753204 252.0138357 219.5632358 273.5299647 163.4575079 194.3437613 4.07813e-08 151.4340437 309.3798025 294.2211382 161.1436109 496.7032807 117.8535894 306.1133306 355.8412703 593.2446452 347.5993829 116.151343 90.23509067 187.5642284 98.39117051 127.1552958 82.72982955 81.55251715 230.3747101 231.451595 249.0617035 526.9696941 214.9099537 445.5060488 146.0745683 283.4539965 332.110093 350.61587 266.8376006 71.68345535 170.7030683 136.0058756 144.7221392 90.00046227 252.9764897 81.78716181 122.8536303 258.2700775 313.5375259 332.9026429 178.8344775 141.8967263 106.7735379 245.7644122 218.1139374 287.3419151 Acetyl-DL-Valine 4649.405336 7233.211398 3089.514604 3923.219798 3177.471537 1831.270838 4326.031644 3397.557226 2625.085421 12121.71738 11129.15793 14291.59419 13157.25989 12026.88303 11252.63062 9394.144877 5255.984481 12751.99029 4629.817352 3942.990522 4997.795452 3121.917557 2965.138547 2575.895101 3185.995228 4766.784072 2382.929181 13746.69189 12850.52664 10622.51649 13084.96146 10934.39453 15419.68197 13585.60479 9538.403063 12123.52169 8042.406341 2713.537157 2947.487447 2996.349493 2733.616801 4546.453901 2659.042403 5104.152888 3593.889787 3554.781053 2703.761425 2142.858777 4086.134686 7483.704385 14403.78097 3333.540257 12055.31534 3293.413538 (S)-3-Hydroxyisobutyrate 851.1617178 1562.493663 1648.451535 1392.071338 1275.618331 1363.800996 1559.480059 1243.981383 1797.302461 212.1249219 354.6809334 733.7230326 173.8913972 291.8261417 204.9714541 242.2500867 166.4278942 436.8641865 2701.197154 3620.327052 2467.055548 2168.877268 3820.373524 2418.408871 2429.121176 3227.798487 2917.185397 637.848706 228.0279232 219.8524062 78.66288593 475.4011085 536.7794435 1049.933799 113.5030681 279.8995175 1563.491117 2202.558386 1950.395976 2544.649809 2127.751248 2872.035772 2657.188592 2818.928191 2737.478953 2044.218183 2365.547504 2546.03215 1758.623929 2128.067866 538.8427197 2849.157211 379.9518926 1844.116303 N-(1-Deoxy-1-fructosyl)proline 4.07813e-08 366.8935631 506.9467705 387.4386244 4.07813e-08 448.8723501 303.251677 1195.346452 1293.856083 8380.64095 7422.356983 7965.883496 9506.339739 7475.646821 6853.084809 5127.585863 3603.395547 7392.684102 4.07813e-08 4.07813e-08 336.2704926 80.97204379 638.7501881 529.4270434 979.9634706 473.0250433 4.07813e-08 6652.36411 8236.354029 6386.238685 6963.786841 5422.900159 7123.034036 10571.72709 4173.967992 6977.375398 333.2375603 552.8187267 526.9849831 279.5863825 274.0879394 571.2385723 429.5289395 713.519916 573.4071321 1164.871246 376.2427623 309.029393 336.5130467 872.9660199 7264.050993 4.07813e-08 8384.946947 1292.428117 Propetamphos 4.07813e-08 1409.726126 4.07813e-08 208.3450246 4.07813e-08 4.07813e-08 4.07813e-08 229.4308764 399.5117509 4707.545821 13894.08857 16070.46373 4019.211698 11424.08027 11627.56072 8618.25133 1742.629312 12936.7182 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11.37735185 4.07813e-08 4.07813e-08 197.7679603 2648.642276 12565.14173 11728.54811 9761.570773 12014.76854 18267.38426 23517.12143 3490.557334 12737.89713 933.2447191 4.347878726 4.07813e-08 75.30841441 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4479.736829 25714.35546 4.07813e-08 6226.212549 4.07813e-08 2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid 220.9937894 75.88309246 160.9072593 72.7478331 133.1520772 175.6784188 171.5928667 169.9691518 348.1382902 533.3837055 214.5684306 123.1401175 451.7031288 57.0960962 420.1516419 56.58790877 138.5988849 456.2000445 1081.769254 1112.773068 547.0568712 583.5198318 885.6968185 876.0447963 537.6494387 683.2572216 983.8380989 631.3141371 511.8468656 266.0926211 156.9240252 633.7254753 455.9612594 589.9486483 4.07813e-08 238.8287091 853.1828637 709.6426873 398.6836402 794.126941 609.4521591 604.3347001 313.7093987 747.7192289 1375.31841 4.07813e-08 230.7911806 475.325952 478.1728815 926.3834829 666.3222753 477.8128457 92.36714537 241.2001734 Levofuraltadone 4.07813e-08 1334.058287 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 214.1953468 4.07813e-08 4.07813e-08 21312.21825 16500.20837 22105.70664 24326.19749 16537.04566 11401.54532 9363.263452 5931.930382 13478.08022 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 171.8430379 4.07813e-08 12873.11883 18404.05716 17541.18796 8653.29347 13013.50714 21081.34365 19564.66981 6839.917094 21856.30568 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18843.11052 4.07813e-08 16384.4643 4.07813e-08 N-(5-Amino-2-hydroxybenzoyl)glycine 451.2266356 363.2994149 280.4579439 4.07813e-08 351.9649605 4.07813e-08 618.2840049 518.0278848 370.9138079 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66.84065858 3867.358059 3828.698013 3089.025128 2601.424796 4316.700381 4284.298989 3552.58584 2886.520282 3982.340077 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 70.24457959 50.34781508 83.14830639 4.07813e-08 4.07813e-08 1611.174751 1907.224893 1997.056918 2495.848201 3281.090526 3884.440419 4068.97746 2737.657226 6111.547773 2717.977886 2120.649854 2718.890871 2406.496639 1984.18766 4.07813e-08 2728.51323 101.0371728 3150.166868 Sulfisoxazole 3075.79629 1730.407508 1743.997195 1889.41839 1501.268206 1823.419269 1981.149612 2509.497301 1848.491743 1460.140603 857.0049123 708.706731 1403.783829 962.0801898 713.160399 230.6845874 764.6278456 1097.788417 4384.459202 5938.461287 3232.146136 3505.380522 3962.196816 2928.321614 3604.05338 2170.671855 3040.066258 1122.034468 820.0219031 786.9864632 904.1278555 1661.616128 589.2730068 1231.66872 570.2187141 665.802212 2687.604635 2379.10604 1725.580878 2573.908787 3353.807699 4357.349494 2433.247479 2322.911916 3419.448896 2023.430123 1896.212513 2328.343222 2498.883677 1916.966882 1791.957448 2636.667586 706.6804038 2531.031601 NONIC ACID 742.4628726 891.6977382 1090.702356 980.7728601 1148.928914 1183.259163 839.0025753 1341.581495 770.2808249 256.5395189 246.1082771 488.9685172 380.6830692 303.0291315 332.3790256 110.2420153 48.57544597 316.1458671 2053.099345 2242.213288 1765.020246 1666.904875 2197.583695 2316.336144 2210.132025 2248.524474 2449.489807 606.0387522 571.8719958 349.0172628 63.25646252 621.9855709 569.931149 1023.364028 43.76934519 56.5369012 1529.122895 1974.655228 1441.467382 1838.617102 1876.05654 1970.479281 1814.659012 2194.624528 1924.073693 2088.990901 1227.843279 1468.884708 1459.679066 1205.285432 1162.309979 1535.779583 394.5791335 1656.420626 Cardiospermin 4.07813e-08 202.3324077 1.945013173 4.07813e-08 22.18500538 7.031003308 3.295723155 196.7538559 79.54149174 6905.826597 5808.995756 7426.961575 7458.287852 6084.274588 3573.598792 3119.349542 5662.723577 16612.70853 39.87678934 71.40311128 19.18626132 8.290343577 60.60334343 18.75210884 24.8515802 49.16232651 29.20804245 5640.723404 5943.563795 4661.56318 4471.006839 6092.136914 7048.428063 8761.562359 2773.527663 5625.876278 1.437183453 6.951826901 6.76605739 33.15150929 28.06963635 19.42801495 16.10549421 1.272795003 65.44513806 0.226374454 10.9874935 5.374961725 6.591497541 72.90536906 7055.537517 13.27534032 5796.000591 149.5824291 (+)-Bornyl-diphosphate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 255.6770174 4.07813e-08 1319.276135 2120.609882 3533.37181 1126.96226 2418.852144 4501.063918 23371.54485 20880.34981 4489.703942 153.4830176 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1904.331838 4.07813e-08 5891.940962 194.9494744 1762.825996 1869.134353 900.8227485 3210.926919 1876.520576 18313.49573 2028.333738 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 136.0220883 4.07813e-08 1490.652605 254.3135003 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1258.590149 4.07813e-08 1757.166253 4.07813e-08 Tetramethylpyrazine 3418.730374 3669.837182 5037.300671 3870.754742 3339.990132 4839.160024 6463.08612 2575.730052 5000.448976 777.4579388 884.3958585 1117.200793 838.9051368 1283.594528 593.3803727 784.1172669 208.4813512 691.7724803 3345.264347 7112.215852 5027.679371 4426.039477 7134.840055 9616.591309 6444.948038 1628.048521 2827.441113 389.601913 510.0382841 521.483925 1035.871092 627.3321084 663.931714 908.5941114 1538.775596 439.0769531 1678.558983 7376.476537 2483.147927 3673.838833 6481.203656 4935.891512 11360.32877 2004.480042 2699.659857 9071.275571 5461.223966 5637.062794 2789.968186 1900.30384 384.0008406 4385.990106 786.1401056 4056.270411 2-Phosphinomethylmalate 83183.04882 75948.4786 75272.33275 76533.58564 84544.33475 76445.13033 81590.98378 70682.56209 80987.07074 63227.08877 57767.27593 58416.0067 62414.62272 67095.86702 59442.38571 77721.77693 57797.59037 71443.42558 55030.12183 56737.22668 53614.36175 60135.29166 58383.26598 57008.38891 58672.04034 63986.33834 59213.61586 55548.91255 65719.44001 63855.83398 77367.83996 60959.0838 56146.72334 62487.83194 69402.63824 69831.92988 68927.2692 62579.04363 61096.73286 57877.88881 55960.30236 56402.52362 62968.80474 68517.71828 68669.49761 70831.65228 71180.47003 56091.50288 64632.50477 63611.10166 51494.91477 64014.72683 67755.2534 77861.6585 (3R,5Z)-5-Octene-1,3-diol 716.5058466 4.07813e-08 1694.520867 4.07813e-08 614.713709 3759.985076 417.9121561 1299.645427 530.6649989 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2339.93698 3682.308451 2598.547656 465.4466772 6904.94199 4610.962732 134.9300013 3222.926597 4623.79942 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154.5142022 2051.711338 1996.265076 1848.650157 1186.195432 3048.82619 3922.662973 3651.453314 3532.561649 7116.964513 2368.88978 2739.955351 1697.169129 4.07813e-08 4.07813e-08 2854.897097 4.07813e-08 3746.75561 Endothal-disodium 146885.9691 137913.6174 147385.1287 139553.0682 140334.9687 148490.5417 141300.4338 146201.7583 141082.8033 110725.4116 105955.0555 113163.9522 100005.5729 122801.2434 107232.8498 134889.3196 108679.8193 132089.5637 101381.8626 115837.4296 100234.019 115501.1527 115122.5434 115962.6727 116064.7891 124402.511 114602.1379 102051.5241 112195.851 106638.9024 135874.6016 104860.8052 102332.0465 105982.9638 119980.0457 133233.1962 125569.4164 108187.9688 112156.5342 100894.13 105881.8252 106904.4205 119190.5371 130957.9795 123710.8412 130697.9318 134665.5016 116749.5438 118822.1301 111188.5933 92749.91062 119540.8141 110943.0833 138670.2955 Thiamin triphosphate 546916.6998 515047.7339 563711.7124 548644.6962 549005.6172 526836.4189 536436.2523 533125.7702 533247.0098 425682.1242 376120.7932 414451.4144 401665.3037 482435.9242 392901.347 518448.4221 388932.3535 482712.1484 394988.5 405501.1757 381586.3838 433073.0629 406595.5092 408095.9756 415103.3081 476100.6191 441042.0651 378447.9438 444912.0457 422985.312 523664.4998 388628.3973 407261.1536 387099.378 450148.8986 512863.0878 463544.51 416608.9871 422406.0015 383551.6772 395927.7504 400145.4791 443626.2704 470228.0607 469305.7988 483780.4328 461233.6984 433335.0086 453976.1989 424911.6634 356792.4952 428654.5543 440493.3047 531186.647 Diethyl decanedioate 4.07813e-08 5904.017705 9752.012257 4673.787009 1109.330493 10308.63027 364.6668987 13682.10772 9295.375241 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2702.425761 8783.498948 3182.910246 4288.410381 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15966.87496 2857.814902 1865.534006 2467.633489 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1023.651298 1976.139542 6974.431499 788.7213946 454.4757985 4.07813e-08 3757.824404 4.07813e-08 2023.364272 PE(0:0/16:0) 4.07813e-08 300.9823735 272.3089464 4.07813e-08 289.8674313 486.5161036 300.714437 4.07813e-08 4.07813e-08 24859.94356 21207.13165 2371.396171 9068.602709 6630.865791 297.310016 12716.25758 5544.891226 4561.989974 4.07813e-08 418.8961826 1868.335404 4.07813e-08 1166.527174 478.2075303 670.0213744 4.07813e-08 4.07813e-08 170.3416047 4.07813e-08 4883.997273 12923.22327 4.07813e-08 602.1558062 4.07813e-08 369.3590663 31868.43827 262.1970096 4.07813e-08 742.784663 207.6048172 702.0742988 675.8755571 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 260.0214976 4.07813e-08 207.9923658 4.07813e-08 282.5348165 62331.02431 4.07813e-08 (3S,5S)-Carbapenam-3-carboxylic acid 2863.353911 3800.659877 2717.594 1806.712274 3364.437776 3081.779833 2219.84006 4212.08636 7581.673968 14957.18111 8916.767272 10064.76743 13578.41306 4413.562733 5689.590645 7170.046003 13501.80595 25864.69503 1141.129502 2522.504396 4350.979504 704.5396474 2772.626784 2049.576742 2675.932073 2231.304546 2533.747272 20775.73436 11291.60317 8675.194214 20438.34716 8117.0038 4859.258952 17562.50941 7623.834335 15015.93381 3212.009463 1372.383231 1781.28849 2502.769972 2129.467298 1978.984127 1927.25809 3317.755309 840.0842081 5712.990081 5511.345639 3565.004099 4727.270857 4761.913691 6207.039546 4261.016342 17845.13743 2384.610973 Prolyl-Aspartate 1592.263731 1540.394524 1558.485438 1011.734539 983.4555592 1238.893621 1478.496971 1018.194004 1059.660889 326.9975049 238.0485203 92.576093 453.5047108 101.0497229 77.71021856 4.07813e-08 4.07813e-08 112.1960942 8184.181124 7572.622797 6899.144741 6464.03868 7829.658251 7707.090377 6735.052426 8983.318258 8941.054827 841.9408339 720.1999354 164.3412243 375.5151009 1086.889521 671.9388261 962.7467834 4.07813e-08 44.30625654 4283.796636 6194.699617 5680.490485 6636.977992 7221.397685 7489.197432 7469.168564 8085.213689 11796.94816 5604.532316 4828.139253 5405.990473 4154.835635 4160.826734 1126.030559 4682.829071 1029.267865 5247.570347 Methylphenobarbital 3175.875606 5643.501422 1861.381455 1041.025203 570.3077224 3340.67377 3597.094278 8049.229469 3788.843299 6557.026606 4431.355229 2700.975126 6645.930126 1534.634793 3334.312117 849.4286328 2201.146854 5970.981786 253.7505905 1052.108766 525.8047526 4.07813e-08 179.3192335 52.87287865 61.30102225 4.07813e-08 756.7596744 3861.611635 4117.957734 1486.894031 2927.530892 4275.852329 3380.348988 4940.373864 1237.774106 1626.682553 108.8972989 392.1617985 922.0249332 554.0876721 465.712381 4.07813e-08 459.8586605 227.922461 4.07813e-08 842.9132313 106.8996792 1298.520416 1421.648847 2663.392184 5172.004702 989.2679798 3539.397274 854.3511196 Cyclo-Ala-Pro diketopiperazine 7287.108401 5793.137916 3172.367458 4419.775798 2542.383255 2508.538406 6055.049383 7076.176614 7462.900137 10277.76754 7472.714186 5549.489849 10336.95854 4161.655301 6865.833297 2652.47696 3901.247925 9692.450608 784.529962 1181.500577 868.9593832 174.010991 857.2750234 1059.31291 1299.020414 440.975289 2491.952848 6004.462604 6652.673122 3868.050016 5357.093351 6868.886575 5954.745878 8193.033506 2540.678749 3654.791832 663.3546741 1446.283402 1922.772875 2494.641941 750.6591605 852.1120663 1380.716019 725.1084633 701.2949204 980.0243506 440.9040725 1194.275925 1976.774917 3442.645564 8025.072469 1965.211679 5866.412563 2207.232363 norzolmitripan 588.1278452 3331.957627 138.912386 520.0612538 59.23616714 269.2796436 884.6270115 1360.905864 1535.079985 2480.247079 3427.063025 853.3012079 2209.584527 74.95913482 5974.066693 5746.938077 943.9669918 333.4335617 4.07813e-08 41.81360675 151.7063314 1.347002537 0.323448266 0.261691142 4.07813e-08 896.1095437 50.32469413 1029.047316 2818.633622 93.79600009 4230.601281 430.3782633 2254.454668 4956.431367 1728.498865 2437.049842 150.0303081 67.28045181 169.6525484 98.88416596 0.525918295 45.55853969 0.90584168 623.2171815 4.07813e-08 4.07813e-08 1090.777955 173.4046471 1547.196216 6749.162409 682.954885 120.3054283 903.6449757 233.5968661 (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 8255.277501 7939.43746 8980.730969 9229.0786 11620.17066 8774.876227 8026.307906 6239.821071 5958.037128 970.0837916 1286.323745 795.8091164 1457.008836 535.0138521 968.0376285 379.154121 223.6575477 610.6418769 20431.77189 23845.71255 24353.02542 18305.42557 26206.85349 20475.20395 20129.43184 18573.55345 20528.83256 756.0012756 813.6081486 908.9927376 857.3764292 803.4820488 1065.489087 1341.540942 1236.400647 1532.516125 11247.39192 16691.5239 15264.68115 21317.64569 20418.21224 24508.2833 18909.55125 19008.47657 23898.18424 19206.75942 14110.46356 15783.85099 14419.12484 18949.99653 1171.331847 20842.98717 1219.024018 14958.12686 (2Z)-2-(hydroxymethyl)but-2-enoic acid 1545.186858 3674.65772 1742.716608 1371.166708 2108.906499 693.6621718 1086.025338 680.6747866 748.681417 1446.940457 1118.133789 560.9128954 1971.340445 46.94677494 117.207997 4.07813e-08 4.07813e-08 237.3225649 3735.770091 4610.9846 5755.677012 2642.381973 2841.112563 2680.09352 3712.170049 3356.6457 4033.379481 253.5759751 361.8417929 576.4278675 255.2765058 470.9970653 274.5566309 960.2243803 4.07813e-08 1562.904157 2229.538342 3022.930614 3210.083215 3920.735823 2804.036082 3528.339219 2547.880704 3775.337041 3684.813985 4075.317543 2817.82364 1998.791421 2971.844414 5336.212938 706.7390924 3741.192238 1241.167413 1936.389954 Propenyl-L-NIO 4588.375903 6914.664228 2925.571786 5527.905495 3898.578848 5072.785293 5622.959147 6064.747282 9591.025571 4.07813e-08 151.5836296 191.1400622 118.1060651 4.07813e-08 213.2027077 4.07813e-08 308.9926282 369.6139127 2137.30958 2405.837468 2676.072117 1981.678882 2367.263526 2262.637595 2438.40169 2836.212298 3436.725529 252.8662399 147.3341866 139.2574196 459.4757465 659.1727751 169.8869524 388.1381933 4.07813e-08 88.95255796 2093.204667 2756.622627 2730.93829 2189.555381 2274.221136 2359.965804 2162.346873 2292.251469 3586.37883 1582.394545 6514.130015 3305.47467 6013.452278 13920.8021 175.0442937 3089.050285 250.8634833 3007.532332 Pralidoxime 2676.288514 1671.491265 2214.265466 3131.976426 7483.607378 4590.432621 2909.23618 1939.789714 363.8302587 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6048.998782 5962.109402 7130.385631 6317.208822 6350.845587 6289.229446 4155.158593 2562.007646 2847.391338 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2035.549022 3671.39324 3431.847522 7488.426338 7333.762349 5707.142318 5944.135765 2182.604319 3305.143888 1138.209006 2277.062171 3279.889163 2101.901432 1399.228028 4.07813e-08 2523.894471 4.07813e-08 3204.441261 Methotrimeprazine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2425.573263 3331.849767 1672.223392 2770.842658 516.128389 2145.627338 3291.808023 2262.839953 1496.992425 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 594.6270496 3796.64574 724.0211561 2860.095686 1333.824402 2688.403991 6121.173674 4248.913521 3567.681375 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10.66327524 2429.883103 4.07813e-08 360.6192453 4.07813e-08 Levosimendan 5528.661085 23698.93405 6329.186373 9970.071216 6346.286806 7660.333363 11149.3705 13278.32801 11855.15746 227116.0881 191996.0432 135437.8001 228122.0407 141240.9079 144423.0591 115605.6408 170663.1295 208127.0587 5913.195604 6645.658622 8379.711996 4692.823381 10007.4343 4979.912435 4500.526069 10341.57202 6333.808597 138662.1068 162520.8596 172686.7606 143411.6707 204607.0134 138290.6323 163450.7673 86308.97903 177067.2004 5578.135921 5673.931549 6212.987931 5150.20639 3764.286369 11138.98918 4067.80853 12187.7187 10621.42063 4898.414747 6731.088881 5583.543274 13194.76215 24122.18432 210920.9384 9317.375028 182898.7626 15606.14169 2,8-Dihydroxyquinoline-beta-D-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 5511.278961 7624.102228 2240.042496 3576.215967 2338.114475 7414.883788 6652.304556 7680.858464 3758.981307 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.029774542 4.07813e-08 4.07813e-08 9875.282199 2884.459159 12038.52447 4871.314015 13017.11276 7695.603442 6142.214845 7173.4362 7155.642824 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55.23057947 8.3410787 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 273.9567789 147.611987 13803.46139 4.07813e-08 12181.6418 263.7801239 Brunsvigine 163.9258972 164.5581619 314.4056045 918.7980538 753.5099647 662.39018 356.1022232 211.9169346 53.97382004 261.9531589 112.9240415 4.195609257 140.2082706 4.07813e-08 6.010395518 39.42239891 123.1635592 14.38952528 895.8691 645.4727881 829.1346248 1023.71058 1519.516563 852.3592039 1097.091217 752.6884258 1931.804562 60.99876568 347.5660098 176.196018 71.29594575 238.2507202 121.5702148 110.0072709 12.68389728 4.07813e-08 500.3180237 524.7959872 799.3069853 1295.335603 956.4323754 1391.306497 751.2356065 845.2465664 1636.563475 650.1103232 17.30949578 334.7514463 635.034278 1248.094321 554.6663045 606.4146759 444.7266155 753.4034361 5'-S-Methyl-5'-thioinosine 6483.624238 2867.758999 4496.391454 5803.377075 10930.10046 3578.18828 3580.091351 8358.536016 2838.786665 4.015119933 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6.150760337 34.65572718 18708.66237 21457.05815 4851.156651 10816.25166 8281.817123 7121.538032 10211.86754 16731.04427 17620.02145 0.480545775 2.647600096 2.552564025 47.16995814 1.546487312 0.83357923 7.496874845 4.07813e-08 4.07813e-08 4756.164411 8956.880571 3368.170736 3991.51796 22281.2105 8347.949313 7783.328916 23470.49826 13658.73738 11440.52234 18726.83526 5534.303191 2604.354147 1057.882577 4.812120838 7809.52637 1.24275099 24131.08128 3-Methylthiopropionic acid 3218.072904 2309.279447 2614.669796 1808.440206 1544.789515 2015.407879 2407.792738 2519.446059 2314.766599 3.728276159 1.012217229 4.07813e-08 4.520908948 4.07813e-08 0.978417978 4.07813e-08 4.07813e-08 4.07813e-08 5110.111998 5621.506597 4212.813419 4665.207755 3921.841366 3901.243363 4223.141632 3060.104548 3507.304307 4.07813e-08 0.960499857 4.07813e-08 4.07813e-08 1.377560735 4.07813e-08 1.953062069 4.07813e-08 0.862665913 3686.28225 4287.035701 3693.458851 3885.068 5379.896722 3818.007837 3873.335594 2754.359721 6697.079895 2646.259338 2174.28348 3218.105565 2789.143336 1877.640854 0.636868485 3431.69484 5.819815834 3402.588664 (x)-1,2-Propanediol 1-O-b-D-glucopyranoside 363.9489652 2481.988019 4.07813e-08 610.5520996 406.4493597 570.4740871 1000.138001 1874.682649 6695.136235 6322.426579 3539.007597 3746.022543 7578.207137 1667.588265 2134.654253 1371.31797 1604.096262 3345.587395 70.1449167 680.6566534 362.0068355 137.3627451 553.4418854 406.0515235 466.9656358 96.12420716 10.95945832 3553.871249 3430.970045 777.0324768 1653.824074 1248.950673 1367.52277 3045.43954 2093.898254 1565.088953 4.07813e-08 4.07813e-08 25.01035573 267.3883902 61.20602961 30.37716599 528.8032874 237.3714845 604.0315669 4.07813e-08 1182.868706 594.3804608 1017.027191 3992.138791 1026.56456 1034.85407 2097.821835 394.2008525 4-Toluenesulfonamide 6108.44376 5496.131627 6662.54953 7303.157929 8074.043478 6723.311853 7463.673645 4791.273764 4046.008019 2759.807529 2759.56508 3517.331877 2893.600366 2945.557658 2805.16605 2209.815637 1384.736808 2155.400443 13866.34474 13421.58116 10746.47036 11931.06295 11819.87765 13447.84908 12656.3107 15764.55589 14300.89856 3732.413215 4624.344164 2944.804544 3302.686572 4733.468623 3893.16814 5491.770516 2082.193978 2779.484064 9996.625855 11529.1104 9986.930319 11531.0983 12838.60146 11242.69655 13134.81478 15689.60524 19576.65516 8902.792078 7280.517659 8389.496843 8023.250025 8625.612596 5097.80821 8917.227291 4271.477951 9980.504883 Isoxanthopterin 4.07813e-08 4.07813e-08 4.07813e-08 42.31980217 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 178.7386144 413.9560499 230.3948761 546.7305481 624.0412885 113.487115 7301.694194 4.07813e-08 29.15217947 42.04010451 157.8456294 65.01960089 381.5315421 41.71348998 45.24248261 76.5610137 245.5719126 2579.878082 268.5466935 720.6047123 76.36775011 4178.269045 447.602203 76.64548575 1775.64564 1452.131098 40.79486342 4.07813e-08 39.44306398 221.2671571 130.4219322 120.5156155 115.8297237 139.7798623 307.0644063 66.55501967 4.07813e-08 4.07813e-08 92.36070989 28.53888388 1982.216597 50.5346872 2166.006778 119.7396771 N-(4-aminobutyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enimidic acid 6774.618563 8065.873253 4940.294988 6682.074144 5299.522373 5270.924413 8427.543245 7150.699313 7960.977346 628.9272449 890.1883338 670.026461 396.0701032 581.7281241 977.0728215 890.7112603 736.0836068 1076.112528 4998.965636 7487.874609 4560.932785 4491.986491 7481.676871 7600.688932 6850.29345 6590.35866 7514.341566 679.1496402 847.5079812 579.9882995 824.0887641 670.3676593 537.0027396 911.099757 549.2491386 922.5459253 4445.96978 5867.51621 3857.832418 5467.858364 5963.573005 6542.535794 6790.670149 6009.425858 8329.259385 5703.666885 5567.159005 4525.292189 4965.851557 7374.30781 597.4958335 3977.049066 805.992016 6808.868458 Resorcinolnaphthalein 3583.433083 4535.394558 3812.83862 3346.686232 3158.758711 2812.821227 3545.298476 3723.117406 4366.429258 22623.66989 19528.50497 18899.17903 24659.36947 20146.85307 19480.14572 17519.12548 41004.51506 22295.9208 4985.228545 5650.849002 5038.791892 4755.833761 4308.534436 2450.36051 3798.722328 2508.006654 4354.046073 18919.92653 21821.83638 21171.74395 18430.33434 22502.66083 14366.20797 28284.12569 17210.82333 28274.20879 4087.39549 3046.432829 3581.850642 3308.927444 3862.256779 5942.991743 1391.255817 3259.67155 6358.062569 3031.825142 5197.634518 3160.617946 6486.27502 6216.94039 24226.34025 5025.69126 13152.92887 3767.020267 3-Mercapto-3-methyl-1-butyl acetate 4.07813e-08 453.4508951 4.07813e-08 610.4711907 131.8747687 197.0593779 1653.177746 92.47235248 216.7389476 31366.36905 58708.91141 95670.9402 7568.458841 91037.69608 46331.93629 53788.80657 26721.37824 1197.572546 15.96357531 4.664821442 9.750256488 20.96532854 18.61601814 360.9327742 90.60156441 15.06964637 126.5493703 55330.64851 36300.06507 40718.89854 5413.022165 28024.9029 24632.7398 60606.55305 46874.11313 69895.61315 166.2488376 31.24496792 10.24906874 22.12397484 17.78723617 4.07813e-08 344.8987259 54.71559867 17.6384037 2.499096703 110.9877922 261.0678915 165.3905299 13.37034212 63481.4938 90.00374327 49034.68436 3733.166173 Malonic semialdehyde 4.748083229 41.35479767 0.427827093 0.214025252 3.165036891 0.054442092 3.034112053 4.07813e-08 4.07813e-08 54.76976955 1035.715299 14.47847986 4.07813e-08 8.416668533 4.07813e-08 1186.151844 1976.324705 2.16810169 4.07813e-08 4.07813e-08 4.07813e-08 0.678814723 4.07813e-08 4.07813e-08 0.794598496 0.050339995 0.657157845 1845.729735 0.9945275 973.6424305 8.125476817 1546.725121 611.2674389 4.07813e-08 1423.956504 142.0873032 0.05922506 2.830780507 1.901130939 0.144502016 4.07813e-08 4.07813e-08 2.123935615 1.157927928 4.07813e-08 4.07813e-08 0.884134092 0.986080083 0.066919684 0.180960062 4.07813e-08 0.5618345 458.0535535 0.095940403 (3-phenylpropoxy)sulfonic acid 4.07813e-08 338.3596295 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.76509783 3490.240703 3418.454383 4344.568998 3473.21848 2898.283409 2425.846583 1883.612026 1670.052387 3515.219621 4.07813e-08 0.187979484 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.573068774 4.07813e-08 0.004261718 3569.395701 4382.793437 3458.387231 2805.85181 5519.822018 4973.099062 5584.061708 1733.777121 3011.611915 4.07813e-08 4.07813e-08 4.07813e-08 0.082270637 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5901.059434 4.07813e-08 4795.202923 4.07813e-08 3-Deaza-2'-deoxyadenosine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.7521555 19588.96219 12856.27654 1642.606824 17591.94231 3970.550267 6456.815387 3349.451788 1300.836177 8219.292325 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 116.3945139 4.07813e-08 4.07813e-08 4.07813e-08 115.4117049 7223.334784 8669.78559 4166.373078 3333.931767 4115.080798 6095.431751 16487.14803 650.9862162 2768.911318 1214.299129 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 94.4072247 4.07813e-08 4.07813e-08 2194.711227 9913.037642 258.8475431 10712.50828 4.07813e-08 D-Biotin 448.6392512 441.3793373 106.8867436 308.2113171 4.07813e-08 141.8037662 1050.275572 801.3430707 101.4078158 402.2299307 101.7094795 4.07813e-08 691.1185514 48.82630048 161.9524661 4.07813e-08 297.8955512 789.2997309 837.2043464 965.0188146 684.0699184 624.6078 906.2433166 1330.696441 1473.486851 1467.457595 1071.173373 440.1155327 362.0601054 72.71274996 56.68066609 162.7336199 220.5862282 4.07813e-08 4.07813e-08 225.4094032 383.892718 747.3146832 737.4723375 1278.97489 773.3503004 917.351638 1162.713242 1245.989779 2011.948318 911.2845052 562.2451776 997.61237 966.3676052 886.8276871 961.7139724 762.73388 174.1297276 2261.826517 3-hydroxyundecanoic acid 1266.687084 846.2752659 1263.971972 1581.753386 1839.519634 1363.983999 842.579134 951.1736718 895.0633764 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1660.400295 1719.88 1251.787888 1432.21012 2065.617596 1784.427868 1570.396188 1943.581771 1778.560056 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1051.282723 1216.16231 1325.049034 1498.422313 1338.096642 1624.596506 1538.375516 1852.009983 2558.310583 1257.597847 1058.207207 1330.409666 624.3179495 812.7653591 4.07813e-08 1055.004517 4.07813e-08 1037.799275 alpha-Carboxy-delta-nonalactone 4855.201056 4798.598473 4974.806571 5973.057698 7536.409871 4896.133411 5484.506516 4980.036744 5730.636631 2822.570231 2827.31196 2348.91673 3121.621954 2029.7636 3947.886925 1656.367545 1552.857773 3215.299408 9878.006283 10684.13546 9874.211085 7551.923919 13697.62728 9833.469734 9449.79361 9671.223792 10560.20542 2761.750153 3347.013568 2637.636831 2636.273866 3619.236742 2882.34513 3239.540183 1344.563787 2796.498505 6218.39015 7227.090502 7072.872607 9040.826577 8593.708946 12675.83263 8150.359864 9948.164307 11617.20376 8859.600085 8203.459029 8461.483617 8499.400239 10218.55638 3817.202455 9159.914492 3064.397897 8773.362334 N-Carboxytocainide glucuronide 503.3880708 4.07813e-08 4.07813e-08 4.07813e-08 66.26996778 4.07813e-08 223.8197758 26.67587905 4.07813e-08 470.1566727 6741.403356 633.5763881 569.1651559 92.37452257 4.07813e-08 2801.975561 8165.517047 479.501897 160.5604455 68.10054803 250.2280333 237.1363377 167.5553882 2.44607926 360.9992987 55.64758011 279.1226669 13581.43003 545.0827261 10470.06983 279.3189385 7360.543787 11266.41803 658.5906807 8113.142942 466.570945 4.07813e-08 111.4859626 36.13361153 61.81458044 208.3822518 122.787218 4.07813e-08 10.75606445 384.3803995 837.1255017 408.6709951 82.57206051 259.6021878 111.218411 1138.426308 85.10105282 3359.305054 18.05383958 3-Methylazelaic acid 2795.712718 2005.697455 2126.444655 2150.845489 3187.539091 2394.298679 2456.445797 2448.632149 2374.633931 1477.611785 1468.173211 1232.666858 1650.911958 1331.205838 2421.250231 1158.691522 470.0646809 1624.008379 3923.203898 3887.454111 4053.966688 3280.685974 4227.615889 3545.319338 3475.152222 3424.87083 3686.378757 938.5636479 1684.533101 1335.835035 1409.920459 1741.113619 1235.852695 1592.243401 1090.579833 1240.361154 2783.951806 2522.788051 3043.707443 3470.099002 3224.562923 4216.18947 2747.458541 3717.686993 3691.734635 2862.717065 2989.239525 3082.365506 3391.508842 3662.239678 1786.47847 3258.49893 1427.771375 2842.779323 7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone 46.97159531 188.2496659 899.3338556 640.7843214 1057.865609 1001.553383 650.5739888 138.538493 58.69376604 15.93593634 107.9877731 673.5142017 38.45724978 543.7719195 120.0968041 227.8223876 529.7102224 301.1088009 2714.5265 2239.395981 2561.353897 1355.508132 2205.586063 2126.903744 1786.798149 1934.872315 2706.719895 138.22009 1345.996155 501.7423013 1218.68907 800.1011746 478.7379132 851.6419651 7.41737146 755.4837418 1697.288863 1504.397676 1407.276513 1873.508262 2227.694428 2367.303337 2046.905969 2550.774166 2678.770651 5178.970561 4709.304105 1654.897531 3032.789689 1883.946615 1307.390547 1391.088721 658.7040988 2975.647002 CGP 57380 9389.8215 5920.915789 4621.950973 4162.917784 4435.079861 6346.909371 9157.35597 10184.14942 6202.57376 3395.476703 1996.914575 1063.82671 3311.552652 722.1852187 2634.532206 407.8130894 1696.40779 2819.9177 25740.41861 27566.89614 21686.2736 21468.34703 24347.63202 25998.24182 22189.07771 18331.00697 25122.63865 3111.940604 3053.6389 302.2100654 725.2860465 3646.007449 2014.614915 2979.276824 334.5097387 1025.222189 13445.86869 23509.15894 17182.44913 20932.46396 25870.20838 26533.12772 20034.34234 16312.37587 39664.43848 15206.04701 11230.4799 16222.34349 12089.31999 8984.197939 3641.834634 15370.80531 3171.851757 15210.15644 6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] 4.07813e-08 911.8639125 4.07813e-08 259.1540782 4.07813e-08 467.9761328 181.9713037 904.7418367 768.8692099 47341.32169 37037.09326 40034.88411 47651.99416 33523.36906 33391.59357 20762.78392 16896.32386 38921.81363 4.07813e-08 48.66381774 4.07813e-08 4.07813e-08 4.07813e-08 37.44262673 167.3805796 4.07813e-08 10.26666393 37451.89766 37286.13579 29570.59497 31464.86983 49257.51086 41558.53081 45341.7347 18840.18144 29147.2116 158.2203488 4.07813e-08 117.4172329 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44.8140399 4.07813e-08 179.891674 875.366249 2057.695934 5503.095567 46257.38755 403.6844367 35929.77802 176.6750227 Alpha-Aspartyl-lysine 191.3085366 2070.587749 606.6028214 1807.628522 1780.88915 0.002625428 491.5386758 1341.680295 1463.402584 8777.290896 7655.185373 11163.61627 9547.823173 5472.433827 6517.298262 6047.591598 6597.02446 6816.832903 227.7683758 0.760235287 725.4778324 46.22121101 67.86798009 111.9354872 1016.248147 1335.324611 143.9534658 8966.857595 8606.986712 7347.133034 6037.552372 8534.794994 7510.745281 8407.700566 6021.084193 7236.440854 2854.07559 298.2607758 1042.523412 332.0426831 4.07813e-08 914.9796009 40.66135295 1404.369775 444.6982855 94.56775123 4.07813e-08 253.797563 1195.95739 3115.295934 9172.625451 738.221229 6914.72747 312.7987124 (-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone 2060.258147 2929.907248 875.8834516 1095.060599 612.7937006 1106.052072 2103.60528 1139.23055 2249.86567 200704.4147 122140.7748 158217.0765 161042.7629 204521.7851 163827.3118 197517.8179 425692.3791 97680.91985 119.6102281 4.07813e-08 4.07813e-08 327.2657482 4.07813e-08 84.38801997 103.134769 153.0069645 4.07813e-08 205610.3426 116222.0732 139117.9388 119154.6106 163449.746 116408.7746 148546.211 225655.0746 214662.5264 365.175267 93.56605712 126.9606033 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115.3833371 4.07813e-08 4.07813e-08 1300.876912 379.084468 1648.81689 653.7311727 121653.0384 940.3940907 56383.74985 3647.330132 7-Methyl-3-methylene-1,6,7-octanetriol 3826.123623 2391.153626 2946.56195 2531.239189 4803.76949 3380.348906 2999.5625 2234.550493 1770.960145 662.8404645 975.1660566 657.9614251 817.6963801 626.002973 1759.108524 720.4608206 224.6652806 485.0677835 3603.805749 3368.900847 3273.911104 3051.819424 3699.663579 3462.767442 2869.678583 3622.97566 3963.164469 334.5306712 465.0663534 645.8896864 246.5842304 580.4053559 562.1678995 413.95084 381.1103529 303.2199688 1880.933177 2926.378422 2783.369308 2791.296359 3528.927915 3806.815532 3232.426601 4144.353082 4869.13732 2947.893911 1981.875871 2302.61202 1948.540077 1576.877745 332.5522634 2058.419368 290.0994847 2515.880441 Fusaric acid 2890.852364 1326.519449 3148.67553 2726.182121 3705.542202 2553.148099 2852.511817 2280.013331 1361.025633 203.321617 86.7289151 318.3254098 50.57697884 49.49937613 120.1806149 57.79727989 4.07813e-08 75.75057038 5459.50753 7691.37397 1183.615524 3580.096953 2761.42862 5013.517734 6783.925283 6401.608668 7426.28973 36.74213109 73.7041977 177.0201285 128.592202 141.3487462 120.9955255 241.7132537 43.03811955 46.79935337 5084.482109 4010.096502 1756.178694 2178.191906 3401.70359 4573.329022 4552.89348 5782.231632 6315.946429 4692.627408 5894.760061 3460.969953 2321.69 1157.796758 233.5688499 3081.980045 193.502382 5279.56661 N-(3-Hydroxypropyl)phthalimide 4.07813e-08 147.3561368 4.07813e-08 4.07813e-08 46.51851605 4.07813e-08 4.07813e-08 71.13813977 4.07813e-08 2026.516297 1441.143938 314.0416654 2375.408626 375.5842639 1433.269817 60.84838987 941.1383629 2116.698157 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 109.7724931 205.0862234 4.07813e-08 4.07813e-08 182.8018105 2539.146849 1895.779202 345.7851209 1256.539028 2364.26009 1058.994964 3028.665245 242.7765001 641.2119591 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 57.84964638 3.40104693 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 422.593872 2901.327383 105.0736192 1945.931693 47.4462948 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3383.411581 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1107.110227 8819.763889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4472.271594 4.07813e-08 6448.305142 4.07813e-08 6712.752455 3178.871613 4.07813e-08 7451.369211 329.3831334 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29.78674491 1575.386172 4.07813e-08 6,7-Dimethyltetrahydropterin 1688.615233 2205.337858 1944.237097 3025.399984 3230.548806 2421.259264 1582.068709 2103.067964 1571.662731 83.37572669 4.07813e-08 292.3895319 160.2045007 93.51501105 168.856978 4.07813e-08 4.07813e-08 225.0374132 2903.593679 2409.007536 1481.202223 2007.827021 3512.400903 2452.166307 1796.084324 2772.890014 3492.904715 151.3714972 161.5711408 92.60061201 4.07813e-08 133.5773729 376.1729939 86.06890216 112.0140806 197.1574511 1499.533537 2476.736671 1763.407687 2460.043002 2565.542731 2709.985918 2233.480249 3126.494487 3285.647817 1566.597642 1060.180036 1828.892775 1851.298558 2827.429646 4.07813e-08 1458.937197 496.9288147 1958.237425 Oil Orange SS 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 256.2589087 3682.412272 4904.722656 653.6695706 4.07813e-08 4319.467274 4.07813e-08 39354.69499 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 140.819648 2215.622501 1973.561354 13382.14688 8671.170287 3267.442671 12210.35093 686.8570147 20185.45105 42.62568835 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 77.38756666 11390.88651 4.07813e-08 21682.52042 4.07813e-08 Artemisinin 25720.68601 24545.16259 25054.01699 29914.28409 31475.03307 27523.84229 28893.55241 26806.49933 26543.14555 10071.42983 6623.66407 8156.840048 10487.81901 6951.546517 8716.261233 2222.291641 5176.588573 14585.06145 57270.9248 60013.56884 72335.89782 53967.24161 65426.93504 54437.54441 52132.39936 48522.62603 49245.92722 8690.510185 9200.399324 12276.1954 7659.326292 12507.81722 8724.354416 12093.61411 6772.517409 14389.51805 36825.66513 42904.02392 42339.71425 51320.05981 59673.57998 66620.55139 49653.72992 44708.7937 60065.68073 50881.49521 42746.41468 46816.10053 38441.29567 40734.50316 14112.47059 41157.877 17451.20903 36380.35418 (5R)-5-Hydroxyhexanoic acid 842.6337002 878.3494865 1044.934853 466.7985115 1381.063031 312.0095208 274.4239894 602.6239498 380.1433128 263.7179667 577.3470682 61.83068204 784.028748 305.3049738 4.07813e-08 4.07813e-08 82.93897647 220.786033 1238.878033 1698.43379 1806.947182 1054.811153 1179.424008 754.1745311 666.7915225 1030.773353 1352.767507 43.32766517 142.2056108 4.07813e-08 4.07813e-08 220.2480036 52.10907578 254.151025 4.07813e-08 310.1470425 498.8894565 571.4412466 792.9374025 1704.610215 1133.738961 1203.900207 299.8689561 534.9800502 1314.449823 1131.623579 847.0931594 574.401638 1132.031868 1307.815996 4.07813e-08 1037.003176 4.07813e-08 683.6349298 Abyssinone II 26439.60059 16262.93224 13921.49981 14109.83764 11471.03568 21954.62829 35422.5488 25517.87958 18674.36798 27672.16576 20872.24875 17142.88906 29022.74933 12668.43749 15440.58162 7926.068379 29401.77076 26587.66697 47894.25456 37676.36561 37545.43343 26509.66876 54606.46763 30574.05088 38538.90257 40411.54235 23919.08057 29521.90942 33773.40643 19345.49127 18177.42381 30917.21321 21759.84544 20104.52875 17086.91371 19482.71362 33544.41798 34751.80543 33335.32261 29585.95291 30275.89837 61475.73343 28599.92365 38190.87693 52649.08993 23682.58812 21237.48117 26449.64297 33562.33915 28043.05297 41695.72032 23740.87386 20731.83518 22118.90096 3-(4-hydroxyphenyl)-N-(4-oxobutyl)prop-2-enimidic acid 2047.291276 1902.619803 1953.052266 1489.028181 1788.809558 2780.560146 2680.895865 5423.15973 6950.789698 6990.767702 6250.162949 7491.292049 8414.231416 5187.646003 4117.502953 5178.569667 5909.178013 6370.053531 1777.738701 1944.642498 2361.385487 858.0035916 2190.061837 2627.523796 2154.016019 911.2164092 3041.982589 7336.204044 5731.869615 6211.069135 5249.905925 5921.317909 5354.327808 8192.548029 4510.321402 6779.907744 1376.572308 1614.698211 2935.55017 2630.831711 1805.414505 1637.0324 4344.716974 1694.490375 1076.006687 1706.821702 1240.229049 3069.366979 2300.801529 2837.484671 8433.213572 3550.584578 5997.596874 3879.871057 Boc-Asn-OPhNO2 6904.956606 5299.874793 9293.721388 6606.522681 6749.504983 13282.73388 13121.22054 6885.795662 8663.333916 5018.112384 3852.328977 4163.869217 4084.475128 1990.608661 6941.143607 3346.203501 3710.111728 3173.122067 15919.94968 8993.395196 10874.70156 9159.525447 12257.57778 14034.43547 11297.20103 14615.69766 12233.94438 7440.725125 6572.122795 3499.78661 14032.77688 3164.158106 2298.27347 10696.28683 2656.0251 14670.00757 19156.63789 6588.762695 12591.02178 10610.53309 10794.72981 12910.9094 14717.42366 14471.49915 10089.60998 22376.83746 24729.63337 16214.42656 26723.329 14927.58667 7252.477767 11842.23303 5607.634514 23539.86632 Albine 10639.37388 6456.414946 6696.945468 4426.57978 2937.390334 2995.157996 6095.704495 4058.627456 4190.356032 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1993.890462 3287.906969 3904.344335 1296.162592 1746.992373 1469.583444 2549.386638 2339.213767 4571.394873 4.07813e-08 4.07813e-08 4.07813e-08 63.80064705 4.07813e-08 4.07813e-08 59.42501468 4.07813e-08 4.07813e-08 2377.211647 3156.155046 3563.224296 3835.293076 2110.219147 2049.034484 1826.980682 1870.155253 2205.81854 2310.507135 3257.139723 1443.128531 1793.578878 3298.663115 4.07813e-08 2091.698725 4.07813e-08 1586.102512 Acrinol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8848.733399 5669.160225 13143.90839 7773.962124 10588.13407 8475.807175 2621.227829 6495.892118 12619.21801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1985.884473 11237.8816 11154.13789 5042.267705 15895.6256 8064.063859 2514.433085 6618.33726 9988.522926 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11833.70043 4.07813e-08 13249.17135 4.07813e-08 b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl 4.07813e-08 4.07813e-08 57.53239648 115.0607983 203.043521 4.07813e-08 209.8092708 4.07813e-08 4.07813e-08 548.3562645 5715.504432 4.07813e-08 79.77955721 451.8221583 229.0866563 3162.582234 103112.501 216.6547758 4.07813e-08 46.39202596 168.0265006 4.07813e-08 4.07813e-08 221.4168012 4.07813e-08 4.07813e-08 4.07813e-08 2607.227285 4.07813e-08 5296.77052 4.07813e-08 4717.427631 4.07813e-08 325.0057251 24904.70411 5244.839136 4.07813e-08 4.07813e-08 4.07813e-08 330.0166534 4.07813e-08 158.290262 4.07813e-08 111.4236991 244.5583566 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 924.8159248 4.07813e-08 5927.591766 4.07813e-08 2-hydroxy hendecanoic acid 3169.924091 2298.871225 2415.502216 2277.51817 2644.911792 2744.072569 2068.488893 1094.863182 1324.217722 961.7491354 882.8171934 400.9652614 1182.571822 307.0260088 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4912.419814 4786.2529 4522.386409 3805.126672 6524.862121 3973.719317 3034.227618 2068.779407 2583.895741 4.07813e-08 275.7909311 261.5272929 4.07813e-08 4.07813e-08 203.8348042 361.8783971 4.07813e-08 4.07813e-08 2492.104469 3572.359252 3024.451773 2955.837951 3668.161129 5759.890456 4365.708897 1628.023596 2761.204529 3714.143559 2880.057659 2460.352562 1924.267813 2696.962279 152.9966856 2878.313369 154.1017078 2082.805182 5-Isopropyl-2-methylphenol acetate 597.0008514 580.9005473 472.6415048 735.5947612 245.8535755 4.07813e-08 161.5042351 466.5861617 609.7564002 2858.205824 2809.482058 4613.895178 2716.070737 4286.209331 2165.109548 2728.690315 1075.086712 2949.910556 457.6930027 316.5694678 492.2477232 111.1959803 139.3850757 237.3988302 323.6940707 817.490543 469.598007 1949.124383 3181.664289 5130.553513 1566.249486 2315.343852 4500.686051 3482.099584 3181.007528 5199.29019 350.4665535 302.6885696 353.4967062 149.3861636 260.0161598 202.1838493 269.4772574 708.5298365 414.2267854 506.456776 316.9620049 277.5224412 509.6173365 640.3371912 3186.061781 285.2087388 2261.211762 517.8035225 D-Phosphatidylglycerol 4.07813e-08 334.1928602 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 641.0995898 1912.597464 1044.459828 9250.24743 11008.49651 7204.472872 7645.380075 14837.83901 17638.73792 10167.23436 34152.05498 28117.3044 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1776.723707 13612.56312 12974.99107 12628.66933 24185.77902 13431.37307 10898.12307 10575.29646 13216.59502 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11831.04781 4.07813e-08 1590.953097 4.07813e-08 Cadiamine 205.4508902 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1608.712688 1616.98573 4.07813e-08 4.07813e-08 8899.112741 4.07813e-08 1571.908587 13099.60893 2263.121302 17949.14342 4.07813e-08 4.07813e-08 4.07813e-08 164.2330967 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5368.574106 6811.784246 4.07813e-08 2549.415546 4.07813e-08 4.07813e-08 18560.77792 12829.08037 4.07813e-08 252.9504562 4.07813e-08 4.07813e-08 173.6073535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1421.048067 420.4120078 743.9832291 380.976997 4.07813e-08 395.5142529 849.769904 4.07813e-08 (S)-Pinocembrin 347.4557937 199.4155599 93.03577402 105.224857 7092.749216 4.07813e-08 108.7367088 340.8777489 209.1517829 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2000.370315 1158.846434 1666.269176 3028.510953 2641.664794 1021.174048 710.5307387 3082.124569 4503.506792 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 829.4332801 823.5057008 1830.882237 1194.128172 2575.286874 2326.086992 981.7366564 2303.294633 9380.274609 2148.567851 3764.360841 735.1342452 1344.147278 2431.514135 4.07813e-08 773.5064564 4.07813e-08 1593.200921 N-octanoyl-homoserine lactone 14023.66684 15383.76824 21123.42639 23772.81306 30323.55668 16879.29766 16397.42482 5260.508036 6422.822554 8221.271415 10292.7137 15904.93422 7937.219056 13217.56232 6274.196191 7458.109099 4.07813e-08 2648.973407 25900.921 24365.22658 22729.12735 22971.3326 27794.46216 21018.64953 21343.41974 25845.95853 26830.92824 1997.205358 6779.669693 14046.65952 5879.585605 9614.62136 13822.49625 7163.352617 5791.040491 13613.66878 14545.82178 19377.65884 19199.71476 20187.57926 23911.00959 25487.55796 22841.69629 24243.54089 36169.73009 19430.51734 23159.44728 16750.58851 13574.35583 13565.80799 7697.008405 14573.73573 8931.584165 17732.90338 4-(3-Methylbut-2-enyl)-L-tryptophan 9739.514348 7597.526064 9362.287911 8627.53818 12163.39928 9159.862119 7449.304266 6531.170428 10391.1572 280.1631171 230.4582304 996.9761602 551.3768697 189.8091789 171.8676659 340.5887258 4.07813e-08 9.817973586 6565.342415 5553.515238 5089.963291 7793.325028 5091.457183 2967.786141 5045.986269 8461.207642 7856.54135 4.07813e-08 209.603353 4.07813e-08 158.2166001 4.07813e-08 244.0092985 253.3515686 4.07813e-08 4.07813e-08 6869.297158 4247.759684 4585.512281 5717.362876 5472.328645 5753.361829 2225.885416 6143.282569 7898.338598 7018.209508 6507.078995 4121.001158 5490.442896 4188.591375 119.7506906 4252.663173 4.07813e-08 2593.140407 7-hydroxy Tetranor Iloprost 12096.62148 4657.022416 15927.79499 13360.01177 12590.28541 17054.6002 13349.57332 20307.6758 6961.070688 312.2569137 250.9420344 4.07813e-08 141.9127147 4.07813e-08 69.16509353 4.07813e-08 4.07813e-08 4.07813e-08 15314.54606 10451.87355 7101.956579 6843.320394 6061.800698 20745.58062 5413.248454 8273.216201 5874.589923 4.07813e-08 208.8626895 4.07813e-08 429.3737572 4.07813e-08 166.5287566 636.8216621 4.07813e-08 4.07813e-08 4173.77149 11452.21152 4829.98088 10032.6034 13481.05189 8685.015045 24548.81396 12856.49093 5824.011539 69400.98534 20618.03477 17122.78345 7072.874316 4359.693679 4.07813e-08 9321.253831 4.07813e-08 39315.14909 Phosphodimethylethanolamine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2947.526155 2958.76099 5045.50689 2541.062122 1983.221192 2887.292989 5095.437756 4098.243301 712.5870933 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10291.18187 4377.835807 4495.104006 8990.154838 5386.660081 4122.96638 4367.72265 9453.931881 6139.564089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6167.06684 4.07813e-08 3466.060685 4.07813e-08 (1R,2R,4R,8R)-p-Menthane-2,8,9-triol 1413.51281 869.5924811 5101.429489 5301.330662 9114.656976 7012.06472 4617.712283 3373.46134 1588.802419 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4038.865745 3627.302191 4672.652382 4872.923078 5465.83401 8637.245785 3368.025736 4766.5788 5941.014674 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1194.914907 2409.150597 3042.424234 8079.540464 6205.99386 4595.34517 7940.322146 3088.297584 5616.297752 1182.491068 1988.869172 3124.919715 1755.382681 1209.782368 4.07813e-08 3613.69323 4.07813e-08 5282.409067 Methylhildgardtol 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 5254.807903 50424.20641 12057.56903 2342.628522 23480.11121 2564.73512 18025.79075 36671.39349 325.8224116 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17135.52976 10536.46185 8784.74176 3435.69392 14053.53185 2757.211233 4468.051768 2656.450272 4341.432383 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3979.435116 4.07813e-08 534.647279 4.07813e-08 Guanidinoethyl methyl phosphate 1054.507601 479.0286383 781.0126584 630.1453609 949.238726 1026.76445 668.5512885 827.1504913 814.9016377 667.3800839 860.1427551 640.1595237 796.8864107 689.5107071 611.7714152 1006.322465 708.2137147 827.4747574 576.0220427 607.615516 786.8709752 719.6993373 377.3427489 796.9924508 998.6421439 688.9877146 766.4301787 580.9187202 177.6578261 508.9594643 949.3567868 838.0102724 1031.471329 491.6356747 2354.518285 507.7648167 532.0965064 310.3517098 373.6259611 690.9120474 644.6010972 282.9211115 933.5002033 969.9696785 608.487955 948.0711159 929.3050942 662.2090699 636.6430474 845.4919277 657.3221118 724.8428373 787.8436267 450.6798514 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol 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 3580.562069 44743.31873 10401.46558 262.7925864 37422.44364 611.9010711 32728.26915 33448.74294 440.2716138 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11540.18885 4181.447241 7330.501708 989.2194499 10292.00046 1272.41072 2334.885234 1813.099815 2736.222861 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2758.968225 4.07813e-08 321.6557699 4.07813e-08 (2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate 729.2439231 2691.628091 1626.837334 658.6621565 726.1591193 4.07813e-08 1434.429715 646.0469891 288.9949542 2915.893634 4.07813e-08 5931.222552 3755.173463 6375.667782 12503.82952 199.7926949 723.2832728 22152.3281 156.5206568 161.5118486 729.3517348 198.9557599 4.07813e-08 4.07813e-08 353.4318798 208.0012592 4.07813e-08 594.674566 1916.634505 4.07813e-08 526.9355823 299.0465014 121.9597216 1743.025503 4.07813e-08 1235.43905 1173.10977 4.07813e-08 1107.903573 1149.290858 4.07813e-08 169.655342 4.07813e-08 722.8655939 4.07813e-08 3351.718121 947.380679 1070.195746 2622.653333 914.0957074 1696.549284 988.5387639 4.07813e-08 2066.279276 Piperonyl sulfoxide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 942.4256777 377.8019179 4.07813e-08 10628.99675 1927.967524 923.5902714 603.0854021 3392.841095 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 380.9907898 2451.027362 36640.17723 56576.21997 2519.569947 3555.469919 3830.289257 3967.842885 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 473.7770216 4.07813e-08 4164.26366 4.07813e-08 383.7669895 4.07813e-08 Ribose 1,5-bisphosphate 7897.451455 6809.564004 6919.171879 6461.451126 6931.395865 6841.182961 6921.294462 6955.640286 8052.87783 4760.948698 4172.234903 4458.462584 4603.833586 6324.97384 4584.044579 5276.940567 3969.022107 5999.420487 5271.191635 4955.19052 4228.585732 5762.522107 5752.552215 4807.392826 5622.805589 5800.322026 6279.471149 4549.162028 4988.455352 5030.024001 6383.237612 4457.474631 4338.739503 4701.322303 5791.912019 6388.066442 4979.550828 5826.904988 5435.690091 4466.001189 4705.543147 5504.667743 5865.804207 5529.485645 6154.845996 2463.22393 5276.134885 5270.320991 6067.971353 4691.91792 3974.458079 4771.038824 5906.428656 6483.490634 1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol 129.4888699 198.453757 4.07813e-08 684.5142712 168.424579 148.9289925 229.9632208 309.9969529 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1432.218031 9453.463376 1844.256522 7470.571654 8083.513566 3381.052069 1181.319696 696.1307543 1667.667424 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 178.5688567 10880.7115 941.170553 3022.326452 9267.782953 7480.359208 3898.441579 796.8435471 135.2590011 5626.460206 2508.194631 5145.51263 828.2930561 158.8075483 4.07813e-08 1860.837124 187.1130086 178.2050109 eurysterol B sulfonic acid 800.5149612 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51.67784031 8301.661997 21553.14766 16860.4334 4403.68292 35589.85381 15546.53809 10484.16394 29096.47448 49598.64574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3165.378115 2732.490081 3138.59364 5085.298945 4671.452485 1512.843822 706.4280092 4906.483321 13829.19623 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8.633517801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.213764148 4.07813e-08 4.07813e-08 4.07813e-08 13628.76448 4.07813e-08 2706.121494 4.07813e-08 Methyl octynecarboxylate 3487.719371 1313.952518 3713.41272 4008.533539 1810.045258 7104.472203 8188.46161 137.0776945 1555.327068 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4824.173576 3753.587265 2141.419716 3754.798848 7141.123111 6082.169752 4059.089867 2865.927026 2972.878072 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3621.014788 4486.916471 2837.241116 3867.533369 5521.533023 5139.875967 7346.731446 2192.025749 1891.285332 4439.338111 2784.81028 6338.090194 1888.918381 140.5993411 4.07813e-08 3493.40441 4.07813e-08 2565.156613 5-Iodouracil 1211.28431 4.07813e-08 1243.742019 4.07813e-08 1053.647073 819.5185431 4.07813e-08 1319.215111 1812.034692 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 293.8426374 4.07813e-08 1029.325961 4.07813e-08 242.4857879 4.07813e-08 2498.51747 2124.34327 5212.713602 799.2344731 2665.711173 759.2220195 4.07813e-08 529.6980459 169.4288475 4.07813e-08 323.6443341 4.07813e-08 4.07813e-08 4.07813e-08 429.9737092 4.07813e-08 1879.414026 4.07813e-08 2316.736489 703.7151542 2081.969226 1111.802225 457.9564975 4.07813e-08 1894.889365 4613.645197 863.8747716 2622.031682 1762.303043 2948.186442 4.07813e-08 894.5475861 4.07813e-08 4.07813e-08 DAz-2 1051.527368 626.1236194 1263.226978 935.4542661 897.9655765 1063.853196 499.4202752 651.2474885 1110.225899 511.9540011 345.4223563 285.7243821 587.6848149 4.07813e-08 3.348403142 4.07813e-08 4.07813e-08 393.2579903 4623.518424 3025.397993 4476.097792 2592.740038 2816.790544 5278.053511 3348.593856 4608.322317 2847.100487 1035.073125 568.202753 250.2549061 4.07813e-08 934.0269208 4.07813e-08 4.07813e-08 4.07813e-08 576.587697 976.5295661 1080.982522 1967.907516 2457.087029 2953.025113 3878.852651 4976.764054 5129.57078 2756.759336 770.7278478 1424.969409 1726.360831 4.07813e-08 1641.513942 649.7157332 1370.51101 4.07813e-08 324.1538496 Cellopentaose 31263.10773 37298.80742 46375.3087 46208.31285 22621.39852 23322.92959 39650.97063 7555.453949 8153.032755 292515.8539 269416.9882 61121.6823 198700.0488 170163.1179 96423.15247 38543.74843 5457.684298 14432.46382 4766.176439 5901.250146 9067.647027 6814.435343 6400.889597 4596.499145 6144.353745 12490.00647 8972.685795 129370.1794 138284.5551 89430.61052 98727.33067 108579.0353 171334.8427 248781.2097 49099.94002 97927.69142 17107.57998 7890.960209 6690.531245 9601.554524 5792.562729 3817.169868 5885.102091 9990.6477 8564.319049 13758.94958 14649.92604 5029.964997 4643.222334 8131.956316 74853.10592 15052.61091 111408.1446 17758.89015 Asparaginyl-Aspartate 2341.094522 10336.93954 1524.266417 1768.408019 4737.579505 2342.052477 2662.462748 4436.69692 4515.699617 57642.42908 67686.50376 39610.81853 63323.25202 43931.48961 43504.34236 43076.77451 26419.0813 72027.95694 5340.369093 4629.278862 4656.676564 2629.060423 3996.911292 1824.060843 4276.837472 4433.392422 4284.208396 52437.98595 57256.08102 71586.07962 42026.99542 74450.48835 46290.77734 28200.06649 21194.48959 64665.7035 3968.841988 3459.908701 1693.151239 2866.518918 3030.984992 5519.670915 2039.297148 3406.913998 3238.989026 1903.262076 3847.65806 1732.346007 4593.268597 9644.950946 58458.38889 5348.99184 70315.69482 4177.074227 S-Nitroso-L-glutathione 22991.34974 50965.86232 21575.77885 27743.48123 37421.19288 19660.59005 44897.87458 31886.18921 21709.11603 269271.0317 182244.8432 79720.25224 259978.5591 69159.46625 167066.3984 57777.39318 206333.4964 252449.3631 27247.96835 20823.94576 24522.2349 23368.49595 40151.52679 17212.7104 23800.55131 30812.7281 21384.8008 253091.1103 261808.2601 79580.43372 210135.2908 290329.9457 156002.3233 185770.7769 95050.94045 82728.85994 58556.19032 16503.69047 17383.86375 26716.25836 40036.07682 31053.97197 19150.20563 24138.98251 32480.33516 14171.77685 19842.07039 14429.21269 47816.2597 60059.86904 325838.0074 24769.96616 200455.817 60507.87052 N-Acetyl-D-fucosamine 11943.55523 15426.46714 12075.04791 15764.57865 18978.68935 10779.51398 11904.71201 21305.54302 15554.93257 19666.68181 16177.3451 8437.878288 21702.09626 7056.083522 11184.99272 3387.690092 1096.087724 11901.89481 10796.86688 8106.313898 13940.28928 8555.616475 11317.81469 9999.734141 9109.787174 9376.745995 18202.34302 12340.6098 12856.92005 6974.995625 10972.30478 15907.0991 13738.89956 14524.03034 5193.891418 10685.56914 16532.65991 10811.20227 18095.59409 17791.20963 17463.48466 15455.68953 18616.44535 12973.79864 9934.322101 14262.73441 11611.64953 23256.36642 20946.26051 24270.23546 18552.32648 26132.07095 14270.03134 24964.80926 2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone 51665.89734 56102.5414 59799.82769 85869.65794 118146.8138 61819.31385 64767.32592 60243.54203 50437.61875 52874.07529 42928.23506 45395.32923 56829.30397 41012.75473 35020.33403 28956.49201 17083.05555 64057.25389 54468.54317 42874.79577 35982.12828 35749.04016 55449.81889 37153.42367 53729.01685 41401.9286 59208.5595 49072.59146 50657.30452 43729.36445 52434.96129 36523.69082 49612.85672 56250.04039 27367.40946 49027.45665 70898.94117 40440.84093 41299.69577 52927.40546 33724.64186 56143.82196 41824.93451 52520.46184 32269.81265 46149.65859 42244.1765 56756.54537 62474.13502 65769.32024 66924.18362 74238.05394 54193.7919 74730.20307 Dambonitol 9880.039858 7154.753824 10599.44934 11934.81171 16195.53374 12176.29256 10711.59706 9044.520601 7458.543268 1823.426547 1336.935964 746.7601121 661.5912722 1156.911344 798.4005405 377.7784913 3760.656359 1252.054516 15850.48914 10428.25117 12381.82619 12866.44676 22934.42111 17026.87412 16092.19812 13212.90743 15998.59053 318.4332047 1654.411 310.6856392 2138.027615 761.8390293 2179.096405 9614.357047 1018.594675 834.6137654 9800.168479 12038.43936 11534.68371 15229.31882 13846.74405 17771.95652 18015.82122 12471.9857 14404.72693 10012.65218 8894.976256 11459.25127 9850.17644 7510.625765 4.07813e-08 7773.664812 1258.070412 13604.55507 Carbimazole 4.07813e-08 1497.843549 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53372.53154 59750.52687 37098.25811 60594.70335 43842.65178 33132.04771 40398.99639 29701.13213 62699.55536 4.07813e-08 4.07813e-08 287.966289 391.3283751 4.07813e-08 432.5688409 351.4050386 5.776847115 9.972024695 43383.55151 44495.21458 66168.95186 26740.36051 62869.89932 34873.98862 30289.17415 24141.13915 64580.57527 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.13763895 4.07813e-08 4.07813e-08 1168.068569 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 390.690755 51130.46555 4.07813e-08 62222.62461 4.07813e-08 N-Acetylsulfadiazine 4.07813e-08 15958.54662 4.548953151 3052.238361 814.0135143 2533.063892 4.164563425 4525.900971 13074.98235 139054.252 84780.80679 207060.0316 185062.2866 196004.3729 94706.16441 187163.5404 325245.2099 50811.773 4.07813e-08 4.07813e-08 1630.428918 2366.992466 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 144741.9691 140148.8673 86913.23335 127496.0303 63801.71698 199679.2247 141243.9495 249506.0231 139922.344 0.139297352 484.3752611 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3063.035075 4.07813e-08 4.07813e-08 8076.618937 6101.376532 74585.92747 2297.418361 35507.94579 2099.70587 t-4-AMINOCROTONIC ACID (TACA) 8786.971072 10245.08682 4941.220147 6842.814408 5532.081782 4280.38753 8836.756511 10214.61948 13721.91191 839.3983757 836.8976266 709.3203907 775.0118206 592.9982434 498.6399465 527.484512 473.3036311 868.7148163 2289.062035 1253.570378 2947.857466 1979.542118 3136.802875 2276.844159 2685.240136 2505.488483 3351.948958 305.6618359 605.0823909 159.4616014 1247.350147 39.99637269 447.2321887 622.7343069 440.0583764 4.07813e-08 2158.329535 3312.767764 3368.582507 3588.134029 2556.330681 3039.046839 1950.549349 3101.851939 3467.96295 2361.107845 4068.785144 2579.285848 5916.807274 7721.103796 273.2350185 2909.908519 814.036509 2538.588377 2-Formylglutarate 18385.28697 15484.75814 24626.64203 31430.73626 36492.45095 34078.33272 17859.69413 18738.29177 16648.49729 8230.495606 5674.836216 5948.311171 10233.36551 9168.322963 8321.620653 4349.315868 8595.820428 10415.93977 20613.33279 15857.68134 21630.76765 21453.73797 36529.08113 25877.37722 22975.53936 21424.5655 29866.72577 14423.85702 7972.213094 8708.714242 9474.602732 6745.919265 10721.17602 12462.49584 9370.141352 12520.55755 20726.61533 20341.03423 23567.27998 26129.96584 18937.34582 33324.45348 24041.00572 26415.62789 21836.82306 25342.92842 17299.4205 22036.71511 26789.18051 21130.86388 9211.812978 23617.27768 8403.225993 26487.41121 Linatine 2191.679248 1883.550166 1538.912439 1152.312055 1358.390582 943.5934662 1449.253512 576.9946152 2157.622024 908.1282452 452.0313447 379.4134437 824.9752866 984.584553 169.8204584 4.07813e-08 354.5770327 1266.760259 4767.985283 2185.997855 4024.290412 3169.788049 4954.766819 5210.084154 3765.253058 5908.245923 4940.795647 229.8508905 262.4149854 489.5078095 667.1624488 755.0555915 504.408425 642.3039954 167.1808908 4.07813e-08 1303.992813 3045.774443 2538.297206 2954.96557 3171.252445 4203.570962 5787.298367 4944.890245 6687.328889 3258.119354 2787.203542 2158.487622 1926.400378 1202.000106 497.7876558 2481.497414 260.9251697 2322.383532 Ribulose 1,5-diphosphate 9528.003689 10874.03133 12184.20451 8457.591164 9927.767091 9453.419744 10534.20258 9957.277876 8971.190549 5169.59048 4222.574441 4227.988803 5070.591771 5304.927749 5148.545883 7574.950128 5277.503769 7389.89106 11587.13215 9776.743111 8593.418346 10966.5977 10656.42361 8750.106333 9238.834968 14426.58292 14764.68557 4269.946748 5445.281703 5096.672078 6367.073457 5960.917742 3912.63436 2810.210726 7447.453686 6225.545376 9309.357807 10531.15503 10488.3433 8744.475072 10209.8823 9618.506851 10245.00026 13861.06729 13675.05402 11887.1654 9370.683629 9863.779043 7857.653596 7299.512369 3571.645963 9978.087575 5465.146895 13383.95607 Hydroxypropyl cellulose 591.1578806 4901.513413 1282.129886 2756.058114 4.07813e-08 423.9084065 1089.406129 1558.626682 964.6135127 12865.58193 9583.479453 11542.38347 12049.76566 10499.50724 8903.519229 7728.337487 8086.53117 3017.458972 4.07813e-08 4.07813e-08 620.548828 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1688.4438 4.07813e-08 8716.637885 11026.74306 7796.900252 9111.239107 8118.476993 10267.88589 8901.272692 7849.152078 11356.97579 1643.50626 1228.576381 1492.415908 362.7405015 4.07813e-08 4.07813e-08 4.07813e-08 1098.105615 1829.8417 4.07813e-08 4.07813e-08 4.07813e-08 1381.533128 1363.026437 5847.869812 4.07813e-08 8057.649295 949.3587046 Methitural 20404.43424 13469.41257 15770.66483 31302.18473 11150.28784 6203.260126 25920.49633 9524.833189 11821.2864 17874.92797 11975.85869 11109.25724 19314.30375 8304.537202 5585.687627 8681.633007 4979.30024 7392.173323 19582.9804 11984.41655 22650.02926 20923.89291 23952.75978 12666.82011 29922.15043 7378.947116 4876.295458 8598.612662 15202.6881 9825.92887 11504.08062 9659.446249 12533.53615 17394.28979 5303.623789 14103.1981 38223.60207 14536.00771 16500.39 65608.58565 19290.27828 31706.62005 12905.61934 8362.591795 8640.642433 28599.04111 12773.75877 16427.54096 16451.42061 73409.78373 10920.09472 25889.36152 13151.5571 8875.411318 N-(1-Deoxy-1-fructosyl)histidine 701.4079631 4868.265554 4.07813e-08 610.8546119 4.07813e-08 4.07813e-08 2135.730077 1032.173085 4.07813e-08 36415.77451 26487.37094 15968.66072 41089.72312 10194.25999 15904.62997 10121.18679 15592.15171 19892.84803 265.7430802 3.131305983 624.6151178 269.4086571 817.8708857 204.8613089 508.5678373 450.5314488 197.8989663 16425.22255 16033.66933 8741.157837 13909.75047 10928.23567 14109.68453 15192.8382 10904.78765 11649.13134 255.7289519 397.0806833 4.07813e-08 792.0392835 572.7066007 270.217544 135.2446792 795.3291446 363.2944805 128.4047586 355.2563739 103.3953222 784.4113581 3683.463518 15919.56816 382.3809382 13567.18434 849.0336372 N-Benzylphthalimide 5792.112501 14279.52415 7116.423927 15786.96315 9489.556886 14091.20579 8025.676614 12004.72873 7230.151217 10330.94787 8729.487699 14647.6935 12986.27991 5940.143995 7685.961273 6818.179627 7205.84574 4379.112851 2113.643267 2199.9854 1711.546649 2250.129307 563.784557 792.8912296 1153.878745 2518.767366 2511.288226 22181.31093 13404.23949 8494.081383 10319.56924 11404.58666 19537.15516 10849.05453 12608.775 9583.241412 4281.735619 3558.363033 3264.922058 772.4657365 616.4323723 1818.968119 727.0314565 3599.158093 2095.579303 576.0079638 3269.345225 4042.907434 6441.839737 6929.778361 15751.30399 4863.397964 8023.865768 16907.12777 Oxypinnatanine 3246.72769 3419.453039 1255.087846 2154.48157 1931.419053 2341.968258 3536.510752 2208.040094 2613.145182 10666.93152 11228.72148 16347.30465 11217.51992 12460.87623 8186.125173 9273.510036 6500.655617 11201.32231 5121.46659 4734.488343 4047.855063 3350.359447 5014.640422 4848.988465 4088.248241 3835.058024 4108.223734 10978.8466 10693.61699 12377.79846 8604.158438 13740.29752 14792.15343 12999.80523 8310.292201 10666.71261 4191.783916 3647.58611 2965.194935 4128.014936 3394.831765 4307.453436 4689.672378 4658.257232 5941.51242 4760.927484 3254.094892 2590.771402 2883.952319 3101.273766 13791.45208 2895.908562 12396.54132 4274.696244 Acetyl-maltose 2293.380596 4107.989294 10033.65738 12832.69121 2533.286499 10719.22772 7524.68163 5366.34193 6438.526953 67038.55826 52545.94952 89772.37378 67957.94736 71051.10828 45192.70968 39216.71458 21298.18444 83653.43276 5737.866767 3886.50295 3392.736125 3762.543269 3792.503885 11013.60837 5657.071702 1125.008925 414.6180159 92680.9169 95639.37374 63608.90946 58772.74624 86790.92511 67872.82433 57900.60214 39029.15297 53669.66314 5520.192886 10217.4981 4808.994421 32396.03693 1097.832943 2038.463018 2757.472068 914.3338872 560.3906272 4580.864234 2551.505702 6493.79788 4009.330145 11031.95273 99867.5807 7324.394835 52856.9416 2448.081845 Clavamycin E 4.07813e-08 548.984156 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 233.4687855 52043.28077 41966.69254 26893.71944 51067.33677 18407.08492 30977.3271 28673.69497 13197.88123 32788.85738 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27834.1137 28714.32346 25655.69264 20915.1375 13616.22628 19735.28332 23159.44538 13875.79628 28278.31106 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 897.7025767 27713.38747 4.07813e-08 25212.09215 4.07813e-08 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one 1477.072494 10439.87403 1284.024412 1994.139785 486.6637781 927.1619475 1794.276577 288.3078822 772.3837958 13070.38603 12348.20675 8195.369446 15379.98185 3760.085191 4946.931539 2454.061832 7169.516849 3445.938945 197.1558929 115.6281694 288.6750761 32.47068996 229.9533118 294.3764091 955.5669593 71.68970573 72.80560511 5581.885746 5128.724739 12698.49698 3919.133985 4085.995573 5788.478019 12228.41667 5527.558349 2981.844181 3010.190713 66.40818295 63.0328328 286.3335229 72.54434865 318.9155529 248.8085474 383.7498368 14.62327698 332.4923391 100.6252795 157.2200059 1027.539379 5921.981189 10453.66881 330.8855218 11192.50272 459.6853142 cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate 1287.253256 1220.172956 1369.631969 1715.702789 1329.071197 2307.282805 1984.964411 1393.34434 1397.117972 724.1097971 934.8395013 1046.474628 940.6993884 2128.274884 1306.735087 1627.625124 928.3872799 1101.307594 869.6660005 917.1480362 1052.38734 1892.308856 1427.606901 1402.438935 1393.397815 1156.03825 1031.519026 906.9360411 1282.155809 2015.154612 2061.340142 1167.726063 1136.90969 788.4497282 879.7912544 1319.319826 1321.632166 2372.108607 1736.677376 1225.955162 1295.482174 1020.244881 911.7233374 949.8223537 1080.164043 2388.65415 1961.674867 1549.550494 1261.779818 711.9160908 739.3977333 899.944135 1082.937285 1499.114629 Pyridoxamine-5'-Phosphate 869.8239447 114.9761794 1077.740264 1377.846526 46.46257007 1047.199961 508.6775453 271.3954911 338.2841263 221.4203067 75.96728282 82.06124204 162.0919042 8.325484708 20.36315419 4.07813e-08 35.33309818 27.33111165 3170.244432 935.2324477 2201.793756 1167.161251 3116.776983 3328.111866 2453.486354 4.472467755 4.07813e-08 37.55976278 66.06590515 178.4796662 22.9987168 66.92030831 45.72425331 51.63852773 9.878081573 13.8647006 1276.939131 1906.725925 1677.659771 6481.466411 1779.910293 1539.073503 4471.830277 6.424914517 4.141994175 3318.26882 607.8284243 3007.67097 243.6946697 2140.097521 68.85004413 3039.829063 53.4993046 173.8269517 N-Acetylcystathionine 22.30933672 254.3761199 27.96701799 26.21408888 42.29052584 80.13723978 72.46963514 33.88668767 18.96207924 20580.43453 16971.2542 11196.00775 23045.72334 11255.74258 13906.98933 9098.381424 13726.97731 20504.32039 98.25736993 293.9658054 121.4839899 174.7767447 295.144889 116.6717263 129.7932455 94.46597789 129.0632467 14056.74875 14018.64969 14603.29664 12348.32288 19203.29804 11949.93735 13841.65013 7318.971735 14491.59383 243.8814742 108.5836156 86.40008116 151.3792226 128.4253342 282.9481698 57.89160811 180.6052206 202.7019593 138.6814011 90.88464777 112.3866286 95.66807869 289.5725053 17286.79703 122.8696738 14822.91455 36.95226687 3-(3,4-dihydroxyphenyl)-2-oxopropanoic acid 4.07813e-08 400.8170574 4.07813e-08 92.593561 4.07813e-08 4.07813e-08 143.078855 4.07813e-08 4.07813e-08 2106.268905 2082.752981 4803.236988 2226.98605 3817.831181 1560.361867 2561.012465 571.8355945 1838.726615 232.2436464 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 142.9868758 4.07813e-08 4.07813e-08 1625.657669 1944.659603 3955.341487 1053.43704 1700.576106 3994.041853 2265.586552 1905.919747 3787.609891 592.5652975 50.87787321 4.07813e-08 4.07813e-08 4.07813e-08 132.2244706 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 393.2393596 2162.26949 4.07813e-08 1725.769763 42.67453543 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylpropanamide 4.07813e-08 198.785909 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 108.8203017 645.3154096 555.8311401 7947.226231 5196.442151 5064.894786 7505.815339 5021.084412 5001.947586 3778.938667 4160.998309 7663.103089 4.07813e-08 4.436269591 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24.51591879 5471.197407 6393.791794 7505.249606 5066.950192 6801.346271 3945.359328 6155.329392 2825.943075 6335.85346 4.07813e-08 4.07813e-08 4.07813e-08 59.72699897 4.07813e-08 10.23684227 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 89.98763112 664.9750321 7199.596438 4.07813e-08 3667.829107 4.07813e-08 Glutamyl-Glutamine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26065.95311 30545.54863 19650.36846 28345.96301 17174.2606 18629.9161 17803.21154 12871.25404 23215.97808 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13515.92829 26164.20304 31198.18731 15731.95468 31568.16855 18836.66226 22689.4402 5721.29713 24755.62012 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30873.31143 4.07813e-08 27726.81624 4.07813e-08 4-ethylphenylsulfate 83.70878421 212.1231223 143.4052953 66.74146581 408.7762443 270.826976 413.4816065 146.9121546 62.84912899 131.8918227 34.72216032 4.07813e-08 83.00676459 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.94802625 1092.874588 1079.591964 946.5775367 1019.618142 822.5793242 1046.602516 694.4819957 1020.275071 974.4076075 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.15086263 4.07813e-08 4.07813e-08 560.2044948 604.894641 655.4998815 840.3317459 993.6564979 918.4557286 925.4396605 643.5025723 1894.687277 936.1307433 705.2322493 559.6049755 232.4722512 292.0877184 164.5929666 636.0814039 4.07813e-08 699.3452665 Borreline 2652.595322 15141.74842 196.2705702 1332.786975 4.07813e-08 4.07813e-08 3844.410478 7214.127043 8650.937683 21379.56551 26944.16713 13649.106 23335.38116 10236.72269 21287.48863 31229.72302 10610.03961 17033.19654 4.07813e-08 4.07813e-08 140.2472092 4.07813e-08 4.07813e-08 4.07813e-08 393.077319 4.07813e-08 4.07813e-08 23568.41645 34192.97444 17992.34124 45014.52931 14109.87062 24456.99799 56115.22633 25663.57309 47963.02392 2782.481281 406.4269301 218.0506699 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2116.250301 9387.87461 10912.9886 395.0171243 6911.942317 4.07813e-08 flunixin 11822.39963 20469.42151 14744.31871 9267.117054 8373.211475 7980.333634 8386.555499 45484.13701 25251.48923 878.4077423 591.4779754 14586.92501 998.1594176 656.9877743 1676.252435 24.54780433 825.9233718 262.0948809 20405.76252 14257.6878 13878.76413 7859.38194 6641.660302 13740.66039 12021.01085 1614.21805 3833.531107 1634.485376 1681.385032 87.17487666 3482.605183 240.4252401 459.9114824 510.2412696 2380.180281 843.8033089 14212.38867 11607.08299 9369.459474 16580.54407 16272.7468 9910.89782 24850.95166 2755.532336 1411.01598 38163.16197 18403.85685 57644.88303 33878.2563 56827.39984 840.5524252 41961.55643 6079.305443 14429.73083 Methyl 3-mercaptobutanoate 5716.062053 10745.2717 10748.98711 4384.401715 8316.299965 8413.95126 5943.336119 46692.51461 21458.61681 494.5095193 406.9559473 535.4606727 555.7622723 78.5227891 340.1505171 38.81961058 212.2366634 173.4970091 4138.266612 6229.004623 1522.671518 933.1314716 3774.89558 6908.249816 4787.673391 291.4849049 6686.506866 366.8937519 396.7439765 38.30402775 862.0469156 534.0391776 158.0615003 1433.235435 313.566777 48.44131865 2020.356338 4929.251097 5535.745423 8902.064283 7373.109619 6957.237556 21600.38064 1129.607538 1106.931882 32634.03315 2420.984213 28023.00551 13333.30423 22757.92254 290.0772305 24509.91611 1106.476432 8909.413269 5-Nitro-2-propoxyaniline 2017.667551 1595.906592 1984.647609 5432.397 2832.067165 2113.861743 3096.0755 4.07813e-08 632.4946589 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4782.328419 6709.127652 2418.095315 3984.544308 3802.671924 3953.070189 3358.59678 1911.578673 2305.163501 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2195.213477 2453.671291 1639.222674 2541.57944 6351.393388 1793.296262 4121.268531 1167.797491 4383.33631 2289.062067 974.6443118 2944.191237 1896.97448 733.7643546 4.07813e-08 3407.226102 4.07813e-08 3036.707183 2-Ethylhexanoic acid 2303.502153 1710.023856 4072.140875 1706.860362 2603.043964 2482.074605 1346.583171 2211.155599 1660.637633 280.8719734 4.07813e-08 148.5527025 283.8018751 625.0899868 4.07813e-08 1044.670081 440.0334125 246.3106072 3339.201296 3141.77181 2552.229623 1752.209064 3016.945155 2579.021835 1363.251736 5568.491302 2344.714146 1208.538231 245.0849779 528.5301917 4.07813e-08 491.2408161 735.9532339 567.8031412 1121.255444 214.8583017 1090.105443 2252.099389 2692.425658 4157.218769 2304.959306 1826.731495 3003.992622 6972.216764 3017.292796 4458.184135 2517.156352 2007.646912 1512.880901 1226.210496 4.07813e-08 2098.111986 529.3017462 2285.344304 Ercalcitriol 4.07813e-08 152.2394653 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1512.045373 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1195.319597 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1112.308634 564.0082041 5945.28316 4.07813e-08 12.7361621 106.9112772 4.07813e-08 4.07813e-08 379.78313 4.07813e-08 CAY10563 230937.5051 219028.3878 241615.9967 222025.6615 230602.6038 228170.0203 221884.9384 221626.583 225258.9614 176765.1848 157861.6359 174348.9174 172328.5709 206109.5232 163439.9332 217873.8243 160263.6719 211282.4643 159593.0971 167351.5536 155502.0952 175313.0735 166447.3421 166580.0247 168430.8576 188908.6394 186524.8455 159880.8038 179396.1985 186406.7006 218240.0151 163167.5252 171448.667 167460.4151 192727.9903 216613.6516 191847.362 171979.1104 184576.7846 157458.8773 166931.3703 164627.8669 182245.3017 194031.6593 205044.3273 200703.87 195468.417 173801.0502 191433.3192 180969.0225 148740.5796 184218.3417 188081.3926 216897.3875 (E,E)-2,4-Octadienal 1358.692843 1514.037461 1740.733422 1612.194503 2000.472262 1603.27401 1562.253007 1416.541718 1066.053874 1605.267353 1941.537074 1052.900444 1257.540394 1829.939432 1317.78366 2675.657517 1253.030712 2176.928942 1337.182981 1386.898971 1554.640588 927.778533 962.2882763 1297.4933 1177.693201 2028.927862 1360.393028 1769.291332 1579.847336 1518.827056 1755.604845 1240.950879 1422.918872 1452.742123 1578.585543 1641.050169 1586.913088 1422.632385 1141.691168 1257.515347 1301.225465 1146.403556 1087.339589 1170.421951 1192.229436 1366.325705 1507.147899 1089.136571 1214.041918 828.0447528 773.0841429 1321.753191 1694.78613 1577.121413 D-Ribulose 1,5-bisphosphate 131012.0235 128040.145 130703.1457 129282.626 135426.0926 120166.535 121058.8178 125107.056 130322.7313 107353.8775 102919.2916 102640.0633 105969.9554 121764.447 88459.3644 129251.2262 91326.18415 112442.1535 91322.73911 95935.38527 98476.69911 92779.10846 94782.04431 89568.97567 94190.43201 110264.7183 102428.1285 93067.66071 113266.2638 91940.35027 126378.3891 91271.49716 86561.42032 88801.35347 107634.2266 121397.7896 104325.2167 87582.28904 97503.8391 94492.57419 87618.89045 89925.68012 101209.5656 101500.1628 109594.0304 97897.42056 105950.1855 94070.71869 110284.1004 99643.82225 81088.61803 107938.8813 110548.5692 112984.1224 Glyphosine 111.0711175 98.38516683 1082.111774 489.2606904 130.7524012 2846.624525 879.3548859 1803.212856 1525.341605 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 109.9133536 1182.956589 1094.25524 933.9040143 225.747931 84.13433625 2250.666857 937.8595165 708.8557586 1140.217419 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 567.5215862 907.6759917 1234.305633 992.629324 1407.343758 232.5670416 2159.848225 1351.033507 264.1309257 4748.997321 1432.583963 2084.658222 890.7941784 575.2826984 4.07813e-08 1797.284854 4.07813e-08 1797.795557 HDMBOA-Glc 4.07813e-08 685.6844616 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2229.114005 5846.41583 2199.093542 1894.158005 1049.791368 702.8769476 1698.17837 5628.846224 1073.023094 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 72.57912966 4.07813e-08 4.07813e-08 4.07813e-08 5331.29249 2335.623507 3705.111022 660.3879042 7192.764833 4610.238898 1194.797344 2629.208203 1083.029116 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 70.65014143 2407.095314 4.07813e-08 3531.445871 4.07813e-08 2-Amino-3,4-dihydroxypentanedioic acid 1653.028439 6475.011436 5177.605806 1536.682572 3854.818317 5685.166348 3540.927356 2734.492834 1377.2437 8858.616692 7214.331214 3845.011251 5342.705468 1409.213819 598.6952099 890.4855053 708.1610798 932.56039 4762.327936 4487.343113 5408.239919 3007.725234 5364.268 2729.107991 2735.321526 4079.37581 7463.31445 4506.119584 7573.480163 1518.24064 6622.74806 2326.492169 3469.798133 2802.333755 1992.69327 1451.251506 142.8314529 4325.988755 2613.772486 6118.177013 2099.188088 4356.498201 3140.697805 3929.889961 4212.074675 2212.010592 9961.521516 628.4212165 918.5958513 2793.557387 1450.579977 1520.729818 1223.348494 4242.859284 6-Acetamido-3-oxohexanoate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2992.852528 3168.191831 7612.682961 3176.115622 5713.176934 3155.515031 4017.15129 755.6319436 2917.503713 30.23421731 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.00805298 4.07813e-08 4.07813e-08 3282.593213 3192.098273 5606.188292 2063.325137 3570.720424 5171.392081 4195.435952 2459.89263 5284.331985 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40.19748181 38.7085433 90.17224858 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3972.52462 4.07813e-08 2805.318782 4.07813e-08 Creatine riboside 4.07813e-08 271.1960708 4.07813e-08 4.07813e-08 4.07813e-08 0.061403203 1.449224796 0.221179867 1.840100596 19661.55833 17836.67049 11494.13296 21323.76871 9974.623461 11852.86389 7617.416828 12958.79836 19922.85291 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20.79153948 0.003707812 4.07813e-08 4.07813e-08 4.07813e-08 12228.82409 13597.30218 15804.09207 12444.42835 19108.67005 12743.66745 14628.96293 6645.409405 12816.75482 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6.70742288 8.981512656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.674532536 20212.009 4.07813e-08 16573.4527 4.07813e-08 Propenoylcarnitine 254.3183395 271.1255442 505.4982592 193.369879 645.9039052 202.3779954 880.8336163 396.7040979 255.0737378 39.11734458 27.38449459 0.000298082 31.2066688 37.57050715 29.2803018 37.2172061 4.07813e-08 77.44719515 886.9043253 1473.357415 489.3790989 502.5915693 2056.819824 2143.253722 1390.204641 590.6590716 1576.221437 141.0862906 11.15105571 4.07813e-08 4.07813e-08 72.49533676 61.87775021 32.86885848 73.71804779 148.1044446 556.8177075 542.3694831 251.1064744 448.4117154 1058.792552 1339.562135 2001.044382 519.4307797 1022.633244 1290.589817 868.4511678 639.6345624 469.8297449 131.0547831 21.56244923 508.2254546 32.55882756 1519.720538 2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 134.0770255 4.07813e-08 4.07813e-08 1335.041543 12976.11035 610.6208605 306.5738228 1699.831379 4773.231835 4466.748306 8233.761205 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10374.52207 82.94264194 15372.82863 273.6985608 13045.59925 11650.58306 2952.113416 10585.23898 6143.973458 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4872.836466 4.07813e-08 8206.992751 4.07813e-08 Mevinphos 84.02112931 4.07813e-08 73.40505019 4.07813e-08 155.4918224 4.07813e-08 4.07813e-08 4.07813e-08 963.516549 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 120.3322759 4.07813e-08 126.9246896 4.07813e-08 4.07813e-08 453.0490947 4.07813e-08 2904.392428 2081.06451 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10705.98182 2642.444205 192.3671349 437.5619503 232.393774 102.5972778 6030.77712 78.10131931 3942.399307 320.9149724 1602.384021 1134.576475 433.5178801 4.07813e-08 393.4987118 4.07813e-08 19407.41451 Glycyl-Tryptophan 2118.80019 4986.14625 995.6543908 2287.142491 817.6863396 1338.21622 2297.222357 2491.800483 2044.781929 424.2561407 509.3780314 427.2763144 635.2407855 46.40205141 367.5827734 374.9679773 300.3204717 266.4184568 156.8136136 257.3015505 680.2150436 4.07813e-08 91.42124771 189.5530725 333.5163077 158.4267873 89.41357869 652.4646488 152.9024056 4.07813e-08 176.9356143 4.07813e-08 309.6811194 186.0210517 399.6256762 219.0796499 902.8042095 297.2372149 661.0062429 623.0893062 176.3482325 160.2997964 172.5792248 203.3402746 52.23204266 96.59481923 723.2064176 791.5736824 2025.060783 6878.729075 69.32658875 481.2798763 908.1842476 553.1233606 JWH 200 2910.863812 4820.833615 2522.409046 3578.996978 3093.151137 4207.882649 4089.09827 6363.16287 9866.552262 4445.362991 4244.98123 4435.179608 4895.102002 2901.702513 6118.587274 1604.705787 6071.118057 3864.408384 1645.653591 1279.225004 3407.247781 1146.452635 1258.267868 1385.418939 1451.78731 2299.385964 2256.82943 3202.769869 4777.902099 3008.515898 3959.46668 5388.936277 4396.752941 6819.868031 3265.473172 3271.49505 1818.201518 1066.631611 2633.454819 2539.526032 1381.610756 1558.258273 526.9381263 2416.378644 1692.116522 1281.255806 3668.363938 2581.388975 3721.423966 9515.411477 4987.152342 1796.839978 4232.212091 1250.137995 DHBOA-Glc 4.07813e-08 686.0619018 874.9065161 3162.673288 3423.235396 818.6016302 86.4698623 862.5680974 348.1290614 2941.893881 2548.413583 899.2676181 3384.945973 354.0939217 201.3453601 4.07813e-08 747.0572238 557.3362309 1416.975352 2045.303924 6104.7368 1706.154694 4983.808592 2048.494437 2533.301924 2496.982556 3235.744491 4.07813e-08 572.9539424 1084.159837 4.07813e-08 190.8885117 272.8450901 2425.432902 126.0453407 4.07813e-08 1891.524632 1045.030812 1959.851973 5704.958791 2682.106706 4767.466064 1483.938134 2306.595813 2160.945462 4.07813e-08 75.88342518 1021.861024 1951.117432 2334.772046 118.6388266 1435.35844 1256.128626 1249.527633 6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 50.31660262 4.07813e-08 4.07813e-08 4.704388686 1.729526149 4.07813e-08 0.211169698 4.07813e-08 4.07813e-08 69.80917979 8436.546441 35.89956886 251.7378571 57.96590811 552.0929567 3499.207283 5733.472255 57.51426752 45.23927704 4.07813e-08 8.47051164 4.07813e-08 3.667902753 4.07813e-08 3.741541673 2.702821113 0.157045559 5861.299264 272.8142799 3293.251497 4.07813e-08 4557.066364 5090.736719 385.2686692 5509.203383 420.3720131 4.07813e-08 4.07813e-08 0.79433524 4.07813e-08 3.388271493 17.91520007 0.196116477 4.07813e-08 6.004699765 4.07813e-08 48.56758173 4.07813e-08 4.07813e-08 56.05734147 426.4099404 2.796776492 2354.477939 56.84681078 2-(4-Methyl-5-thiazolyl)ethyl formate 1146.268948 2115.788343 768.0000085 619.7734846 1053.553251 809.2299267 1199.884483 5769.976362 3229.223151 764.8374786 1652.749802 7214.259373 784.8353802 1771.450163 952.9975131 4092.624103 2884.413012 1038.289132 4574.299806 6163.318168 3807.276914 3063.196853 3687.08482 3193.845141 3455.582232 3351.097587 4452.392567 5224.851447 4521.405246 9320.763967 3122.383859 10306.88951 774.6189747 2300.147895 3167.615708 6208.298335 2083.342804 1941.135114 2469.645118 2722.422555 5442.769676 4984.926228 2605.594477 3201.76913 5423.906144 2894.123099 2389.646929 3839.047001 7838.01498 4447.009016 3573.533482 4745.804636 2515.101276 4004.187267 3-methyl-2-Quinoxalinone 967.4986431 435.518956 1140.515319 1112.536032 2089.157113 1948.30862 1248.992602 957.9095225 615.5828645 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 662.2156018 2488.867803 1591.655612 1908.096695 3139.507986 3271.590364 2472.013283 2197.718174 3271.577412 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 994.3578461 1240.539258 722.7512265 2339.866373 2338.447894 2395.022302 2935.13741 1704.20192 2727.872962 2387.44973 1638.567234 1656.943379 1199.051513 1033.643369 30.86247441 882.0995091 97.24434055 2029.671703 Lucuminoside 4.07813e-08 131.8111678 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5006.049923 1314.193132 1682.602189 3658.779156 2294.090262 5500.227099 1818.006991 2000.471735 1834.103359 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19.57663851 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13042.92135 6620.212633 1788.473196 6687.881544 2710.867178 3589.159016 9633.713155 6553.070824 4011.947441 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4365.399843 4.07813e-08 2428.480192 4.07813e-08 Mono-trans-p-coumaroylmesotartaric acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.097869299 4.07813e-08 4.07813e-08 4.07813e-08 5620.775866 4061.212326 4657.390428 5630.427136 2870.405216 4790.704185 2554.797994 1314.031218 7346.873854 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.948455276 4.07813e-08 4.07813e-08 6866.087508 7950.98846 5462.838281 5251.73331 6386.546196 6070.330236 9603.338835 1669.206191 7782.7258 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.787475187 1.418034872 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.877766837 1.268112869 8103.562789 4.07813e-08 8119.545471 4.07813e-08 Cotinineglucuronide 1409.685685 1776.129475 952.1831805 1147.699805 873.56446 562.0770052 1354.4672 1075.315971 1940.390352 9139.520257 6375.18434 8533.935516 8034.260653 6955.456298 4148.464115 4706.449364 2638.796817 5022.243392 3654.558394 3696.926226 3164.476386 2119.707609 4578.505204 2727.3959 2857.149983 1995.348997 2507.838906 6109.713018 6136.944982 6329.68492 5037.243686 5685.908134 6817.739898 6915.118972 4906.44708 6903.137569 1739.374562 2143.551173 1394.172407 2309.35273 3032.854009 4270.629846 1857.646562 2416.562288 3926.06486 1323.246703 2217.999696 1673.869822 2103.276134 2247.004607 5472.147751 2359.948109 4499.609853 1653.987074 1-(Malonylamino)cyclopropanecarboxylic acid 2305.483152 2993.035049 387.8427149 926.2287553 189.1473489 164.9806052 1119.549928 1391.565763 1863.743684 575.1855333 4.07813e-08 259.8180223 377.5554986 396.670793 1165.165114 4.07813e-08 483.298026 724.8652934 82.42955045 4.07813e-08 1057.961258 540.5068761 122.9256095 30.22581725 320.6677686 1966.535864 494.0360369 1237.848561 1256.267146 137.130168 1067.40401 1466.192794 1697.990168 1299.398939 290.8435841 956.0844165 4997.415351 334.1614809 1516.48799 445.7991851 181.1133808 278.1724297 23.67932714 2090.958385 444.8769097 4.07813e-08 4.07813e-08 92.60864079 2839.896351 4973.904867 1269.422604 348.2858453 65.56625401 733.2162983 Pentahomomethionine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.69890936 1183.113714 807.9913914 1251.080549 1153.920458 1914.382953 2061.984299 1265.454856 2567.417035 2615.913203 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1598.140911 2423.992821 1630.720263 1738.202153 2739.531067 1656.710436 1369.226987 1037.304995 1856.121183 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 144.1048915 1614.067754 4.07813e-08 571.6169294 4.07813e-08 (E)-C-HDMAPP 1671.680328 1751.968547 5003.659534 3546.270938 2173.933032 9504.04304 4182.817852 7008.413769 5993.582661 4.07813e-08 4.07813e-08 40.90915548 4.07813e-08 4.07813e-08 4.07813e-08 164.7075901 4.07813e-08 381.4341717 3573.255408 3133.139277 2701.82908 1566.913275 951.1096505 6081.015571 2185.860439 2605.438649 4372.061613 4.07813e-08 4.07813e-08 4.07813e-08 86.90525329 37.02182633 28.61479386 4.07813e-08 33.38063851 4.07813e-08 1032.807612 3695.06719 4380.003747 3616.170401 4930.252115 1153.73594 7035.749847 4326.927685 1214.406264 12020.25994 4126.09227 6786.343157 3395.931709 2091.950137 4.07813e-08 6283.831443 4.07813e-08 6631.527216 5-S-Cysteinyldopamine 1214.66247 1485.926467 1198.209471 1098.209816 857.8781078 813.0898625 711.7915542 1250.904379 829.7029041 3516.250348 2465.96851 2704.549721 3505.205688 1458.220415 802.3897998 945.0064075 583.8949891 3320.163271 4150.5003 2397.155629 2579.326288 2406.624781 1722.436068 2001.357992 1617.242977 6630.922357 5465.067716 3308.451227 4366.047489 2887.187619 3233.197508 3479.216288 3365.065915 4069.854465 929.3778581 1283.854422 1982.172028 2727.741753 2534.654464 2779.536158 3707.84383 2148.932947 2348.980742 5525.11046 5659.583103 3496.128509 3793.81574 2498.471599 3341.942826 2454.457465 6505.155281 2888.828612 2377.465803 2589.856087 Ethyl 3-mercaptobutyrate 635.0119859 1381.552279 526.6869453 1032.643476 781.7766781 675.8247922 1015.573871 850.3441765 566.6504972 32406.06982 15422.63127 3183.95403 33772.4287 2276.947508 4301.873065 3049.213228 2117.861608 3786.045773 103.1815266 75.1849799 110.499814 46.24623124 62.87215353 88.2773341 86.7389192 99.9260589 204.4156839 4466.298843 5973.248065 2491.096454 5274.394403 3466.135758 3480.236856 4361.729628 4843.493186 2409.617795 471.7749353 45.46743338 204.8121053 53.97997197 251.7298265 112.7189648 65.56869024 66.96630709 4.07813e-08 408.0744534 263.0129534 405.4597514 405.271443 626.0176243 2872.379514 460.9994832 2621.029211 768.3744948 2,6-Dimethoxy-4-methylphenol 2170.91589 1840.78364 2806.633536 2402.088428 2590.385608 2618.196502 3003.837872 2180.566796 1424.200509 1163.368578 782.6466874 834.9477253 1042.782431 838.5992473 1104.506841 770.9302403 407.7668351 1139.38534 3701.579848 4288.760082 3427.681088 2649.39272 4011.222394 3877.159902 3160.971319 4471.72081 5046.698072 1098.121089 963.5756062 729.1977686 1101.78917 1051.659278 757.071709 1269.479893 472.9797701 1201.935412 2493.912281 3160.706631 3047.949834 3698.373951 2991.405519 3248.052225 3593.432931 4668.138202 4240.21896 4621.009889 3289.487653 3104.959668 2680.557186 3042.045209 1226.036307 3630.233744 1046.514579 3676.142795 D-glycero-L-galacto-Octulose 1129.097978 874.0210534 715.2709811 866.2473378 1083.536037 1541.566735 2626.421007 2225.147344 3557.147791 2160.962586 2239.372215 1418.813782 1816.50622 734.5259872 1606.463098 317.2304567 553.6545973 1320.311092 12358.98654 13820.45674 7826.553309 7944.860263 12704.86234 10889.48472 11089.12952 6807.966567 8073.016141 2362.843011 1806.864655 619.4672176 1001.111286 1485.646734 1936.804303 1733.647951 441.2957278 581.2495075 4386.224509 9102.187079 5046.052415 9136.172946 10044.13074 12189.76578 9474.480324 6533.013604 21369.28588 8303.9388 6516.551339 7307.184749 4314.48035 3750.961486 3847.140056 5871.623087 4558.106543 6241.036982 Perazine 213.5897183 3116.599243 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1161.375601 13857.06811 12213.85383 13520.89294 27349.37318 30379.35667 1173.993488 607.4644885 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11006.68427 199.1977832 4.07813e-08 1438.394346 0.264369626 16600.62384 1302.572088 2050.875911 1415.177251 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 382.235774 4.07813e-08 1523.07749 7695.271657 3388.633072 140.0979689 41120.90118 3083.634141 PHDdiA-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 23.22248224 7327.665583 8908.353146 11141.05003 6719.976685 11635.24732 12897.67135 23983.53934 11337.9664 18807.47202 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.616048004 4.07813e-08 6498.042882 8688.458379 15484.48363 13320.91842 14266.4995 7309.104934 27369.85413 7231.512781 22482.35489 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6391.181063 4.07813e-08 4.07813e-08 4.07813e-08 6-Galloylglucose 4.623623759 4.07813e-08 4.07813e-08 49.16919666 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3221.186358 2977.583472 4518.808547 3678.839999 2968.114519 3930.485082 2978.485092 1595.188819 4229.495544 0.005700288 4.07813e-08 32.63499373 39.08848029 33.87443487 4.07813e-08 4.087037932 57.41881788 27.40638676 7181.014866 5296.335853 5643.518326 2514.611823 7212.645866 5993.891543 9023.702258 1647.28506 5873.835015 616.660618 37.9540823 4.664874802 12.5397145 16.11336406 15.87926706 4.07813e-08 5.549768512 28.92815877 4.07813e-08 4.07813e-08 4.07813e-08 6.123238438 535.3324502 7896.376165 4.07813e-08 8199.499235 11.68024335 Methyl helianthenoate F glucoside 4.07813e-08 28.29099259 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21.11225843 2402.546409 30.26806386 21.37885599 306.3886837 1169.789838 6985.153002 7405.426619 4.07813e-08 4.07813e-08 13.19922177 70.69186275 4.07813e-08 89.6120945 4.07813e-08 64.43433013 4.07813e-08 4.07813e-08 4769.714458 24.85086153 10115.81489 4.07813e-08 6596.160062 3401.904762 199.0359895 6143.410892 4239.837762 4.07813e-08 53.59465455 4.07813e-08 265.8141424 4.07813e-08 62.14033213 79.76684378 238.7239614 60.24348888 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 955.3109827 4.07813e-08 3057.612879 4.07813e-08 2,3-dihydro-1,4-benzodioxin-2-ylmethyl dimethylcarbamate 298.1654937 500.3345105 860.839192 907.3163888 1383.698007 612.9258461 738.0914589 292.7565999 464.924212 229.8647579 786.0534686 538.6017728 225.9081558 301.8189181 161.4565045 324.8826498 13.38793807 262.1306177 873.634531 1141.930205 776.7195284 787.4806494 1535.549812 1392.132792 918.3753306 968.4936934 1174.478581 101.1375694 313.5982823 242.320144 73.76534317 249.8042231 361.6786349 127.0483787 292.265472 346.1301941 459.6530822 627.9440595 641.9101298 745.9237688 1196.462678 1044.782675 715.7104517 982.5264712 1626.749454 856.006518 519.5391245 425.6418666 772.8863587 593.6140008 17.82913538 288.9764866 258.4655705 718.5089293 TCEP 628.9555812 328.7952748 1146.023815 926.2324423 1323.747998 1072.431328 947.5830749 1244.010072 835.2169267 158.1556614 4.07813e-08 351.6038275 106.3392267 892.558032 293.3386333 4.07813e-08 269.1172194 743.0020513 893.5193175 876.3536081 640.5047628 776.2132414 792.8087349 968.2777668 848.6730039 760.2221163 860.8158005 4.07813e-08 218.4428633 81.71179501 248.6279627 4.07813e-08 42.16769665 102.4429688 42.99729028 1232.526981 689.5044409 687.1131852 731.2295054 587.2401599 761.9573153 816.201098 656.3425679 930.5599299 994.1886167 868.8831264 315.7582253 637.1600878 613.7459058 499.1363339 345.7545891 642.2812132 4.07813e-08 633.9502805 5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5879.238732 6350.782963 3874.999719 5747.164446 3387.345031 1144.102983 558.2713832 822.4615375 869.1971318 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.142697796 4.07813e-08 1365.558262 6131.100999 747.2456614 1253.766024 745.3285156 3349.126505 5651.01842 892.700936 4.07813e-08 4.07813e-08 7.475104797 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 465.7056637 4.07813e-08 788.6163666 4.07813e-08 AICAR 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14.35719895 8859.964577 9046.91773 10411.12573 9684.67589 5543.499563 7155.561246 3529.518255 3236.121087 12129.65225 4.07813e-08 4.07813e-08 35.91915975 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10742.02487 9518.946133 13225.6696 6580.743577 13280.00891 11624.17018 27500.73454 2579.905378 15867.9357 8.051361149 30.53524564 4.07813e-08 38.29974636 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 145.2613957 16.29485524 4.07813e-08 90.88808565 15083.53888 4.07813e-08 21449.61838 4.07813e-08 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 1637.111231 4603.820702 2014.34092 3547.888265 2198.995769 1526.750587 2070.719222 2439.870153 1419.553976 6585.86308 5498.495308 7492.973428 6709.19993 6664.877465 5204.521274 3945.619391 4833.761865 6354.293746 1736.376945 1199.588171 2812.800514 1846.775501 1029.508434 828.1765609 1814.156466 4287.812458 2176.19748 5155.756921 6612.157986 6504.538544 4857.353279 7574.708961 6734.618116 6726.28255 4057.89346 5099.828306 6091.529646 2161.48618 2783.745119 1579.481459 1167.709331 3613.856996 563.881403 4236.713476 4024.87724 668.7661219 1078.994143 1994.824357 2987.157511 4305.999289 6748.81457 2280.190134 5376.084432 1486.962422 Dihydrofolic acid 2712.856533 5576.50382 3304.160182 2230.697791 2211.972195 2963.176447 2811.444836 7256.694021 5976.963228 4110.026959 1409.566105 1978.891182 3885.502874 1606.982418 3809.582096 427.4887692 4853.901756 4912.080293 5566.937996 5288.384054 4448.498854 5232.193699 5471.240733 3790.28293 5480.838253 7472.439925 6227.831655 6357.865822 4800.175335 1229.961755 5351.445681 3098.535459 4278.128322 8569.258396 2898.445999 2385.003891 4314.753617 3973.356052 5921.532606 5563.697121 4220.871124 6314.956913 3533.491078 6806.847179 8152.789427 2191.125221 2809.0741 3905.125765 5806.287119 6622.497981 3804.654811 4599.119684 3384.908656 3743.874522 3-Hydroxybutan-2-one 1474.043784 2380.144985 608.0282503 2313.51 1159.802716 440.7094448 1520.919953 936.3437098 147.0090974 920.1151465 159.8012026 359.0703165 1291.645913 460.9205577 427.9223276 152.0913361 269.3346619 1741.513304 1572.466957 724.6373789 145.4691507 724.6625242 269.3938981 145.4300473 722.6846449 3043.239243 148.3232576 782.242107 454.9641422 217.9809962 2052.78864 2375.279698 806.2978509 128.1123501 883.7647277 1240.207991 5806.812894 1743.007478 174.5567774 193.8408488 463.2753044 1586.525525 226.3447574 2364.691117 595.7856471 142.981884 69.8960218 495.7559572 874.6433845 1810.753061 1980.57609 393.2112332 203.342783 306.0976668 Fenothiocarb sulfoxide 48183.71417 29236.3997 46947.13735 42735.56362 31902.68704 44160.8861 27776.91328 47883.26056 41036.69227 17325.70155 13844.14205 29245.47813 18642.77363 26699.51279 6216.941969 9864.55058 25369.52824 24090.11122 99349.98502 86829.69491 75388.00448 73813.67841 84235.49946 61668.43193 70510.46768 64568.37087 75109.63815 17237.92723 26998.47373 54887.21731 25918.71009 45386.76084 37186.67892 41494.17097 29096.50389 37561.3424 68441.40851 76287.33572 64193.25867 73851.0812 82546.28343 90509.65003 58603.97812 59021.30607 132068.0265 35724.27687 35082.83123 55981.33894 61720.60573 45204.28907 36682.36409 61475.40555 27249.34088 59003.58122 trans-3-Octenedioic acid 2000.263679 1530.838812 2164.441819 2607.012228 2589.881909 2438.811697 2960.289669 3388.178114 1967.922008 521.0998387 725.4613984 535.2180922 606.0963715 175.5879548 1114.154351 1297.25129 925.1871899 1911.710572 6191.407356 5594.292751 7341.602405 4852.616399 8659.595556 6359.984697 5554.03442 7326.217345 8186.911947 1678.568377 505.4661352 1049.025346 593.9480468 1779.664962 510.452938 920.9304214 317.6562292 1260.657034 2766.875089 3459.847103 4652.17494 5365.514303 5392.001424 6246.074072 5617.333903 6240.456544 9201.542688 4802.022345 3669.538168 3743.243099 3987.434449 3988.091058 1727.608449 3858.176914 2649.753871 5308.535305 3-Methoxytyramine 391.794153 1413.051598 229.3577604 492.1231627 300.1798842 352.648789 573.8559039 696.2016014 733.8282829 5711.81211 4914.805263 7120.031961 5900.858694 5770.905561 4105.367393 3408.552224 4161.679373 6085.902361 441.379476 339.4015594 313.0557047 230.9179826 262.645343 435.9430162 542.4822766 393.3259749 241.2488051 5408.094723 5729.95635 5639.257089 3728.380622 6460.078375 4841.798814 6166.449251 3157.040738 5835.419986 407.551615 223.9553434 204.3759711 452.7248274 184.0586603 468.6215847 521.3656436 379.7067456 322.409492 339.9050015 472.4297207 91.99082706 397.7868973 1823.384491 6588.156081 543.5317578 5560.153831 671.8675307 Acacetin 7-glucuronosyl-(1->2)-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 21210.08106 15796.17304 256.9138665 22889.92577 4.07813e-08 13270.42214 4.07813e-08 10682.11559 11696.84442 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28411.03728 18015.64616 1065.170114 22671.03635 19118.18292 9735.589919 30719.74806 3621.740353 2361.000918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21572.44173 4.07813e-08 27325.73085 323.0581531 diethyl 2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate 2559.694562 4981.056399 1212.98527 3476.832661 3041.342279 1564.581357 2505.928338 1839.621686 1292.51635 14659.74963 23438.83132 29773.39586 14502.63274 18017.33761 9537.611884 14918.94383 86401.08929 7367.564594 1520.206482 2596.33699 3925.032792 2965.512277 1522.492427 676.5894891 2691.109075 2439.085035 1108.340217 28685.03222 14510.59301 36475.61725 4648.876106 19435.47524 26210.49134 24007.94326 46998.27516 11612.8062 6755.373243 1482.493348 1366.057856 1812.345517 1730.262735 1966.380375 658.9436429 1577.812779 2839.282564 1532.373526 1455.084487 1955.749515 2566.732104 3879.6615 16501.9833 1153.54451 30173.66821 1674.597309 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, monomethyl ester 4.07813e-08 4.07813e-08 4.07813e-08 13.05061331 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4426.827067 6234.902403 10737.50644 5124.882016 8519.698128 4812.557544 6663.485674 2038.677207 4689.183214 212.6109693 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5417.0996 4920.250208 11885.94269 2719.188097 6894.240985 9605.927846 6792.57987 3231.384565 13342.97983 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20.69799535 4.07813e-08 4.07813e-08 9.009967242 111.4994382 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 205.8197552 6400.488898 4.07813e-08 7798.531721 4.07813e-08 Trimethylolpropane triacrylate 2.774750601 9.747169246 16.16363918 347.1651811 448.7168671 49.93232937 136.6462576 322.0567814 18.06433337 146.4401898 4361.646951 14.14141839 342.0034708 2.125409206 311.6381303 6317.411715 8591.192483 152.9102158 1058.822993 624.547558 1957.12901 941.0414487 1398.467495 966.4769018 1032.744448 2059.448845 573.2894395 3797.547739 350.0336521 3058.526803 4.07813e-08 2943.550424 3422.826899 621.6608009 3290.194715 1167.179449 521.7312808 557.6707083 363.3880559 814.4905459 1385.277507 1776.032498 932.1708831 1223.67739 795.8962248 670.5996744 319.564462 291.4879313 904.1762629 881.4243596 2248.340321 549.6364837 9933.876676 1118.021312 1-dimethylarsinoyl-heptadecane 7121.192586 12761.95772 4843.128038 12747.85178 9482.252248 12696.83865 9839.22985 17714.63401 28835.36201 1141.742124 2597.595417 3100.285254 1030.137277 1325.56089 2673.48997 1326.785868 1606.948337 936.8483525 7668.78349 5326.132852 13779.49498 5530.595854 6513.653678 6350.653866 5691.470043 8225.741376 10037.38276 2452.653337 3574.403484 1513.582137 3065.145502 3352.985436 2717.408934 3272.477551 2162.169912 2514.988992 5327.497184 4755.253708 10480.8104 11941.13626 6678.172979 6691.940897 3320.408277 6151.859934 8090.391556 2292.114151 11549.302 11188.63166 13806.8056 35025.16418 887.7449646 9844.025995 1993.641653 3747.740755 Psilocybin 1219.423428 1272.066981 592.7993407 1173.956025 1617.074547 4594.815216 6495.311234 420.0947758 506.9886976 441.1637585 658.1730623 1050.261211 1076.260654 671.1023297 2596.911868 336.5960815 2243.016793 741.1463423 1746.361692 2398.901662 1656.365356 1258.452565 1848.62655 6189.869628 4458.675484 972.917192 1110.770417 674.4906099 517.2451211 1853.693585 303.955813 617.6726688 2080.583335 740.3786021 896.7915341 200.3119655 1229.618233 1128.708756 459.4811742 1099.022548 1529.696504 1980.03403 4491.457343 1003.65968 1708.431807 1112.109266 912.0593944 622.2745108 1205.526905 786.3721759 3061.238495 569.5879749 915.4330049 945.6461615 4-(Hydroxylamino)-N,N-dimethylaniline 1769.951256 1132.430581 1292.398008 2242.517407 2329.522109 1360.095183 1080.947706 3974.947963 3880.472352 75.65497933 198.4627607 213.5465887 277.2919402 4.07813e-08 4.07813e-08 4.07813e-08 474.8174815 2259.298354 3903.361426 2676.546351 3332.616626 3244.641561 3887.955175 2504.824787 2444.134974 4422.919226 5228.681527 4.07813e-08 191.5762567 4.07813e-08 113.7243453 247.9384271 4.07813e-08 4.07813e-08 4.07813e-08 741.9117434 1557.38853 1648.365394 2403.912103 2856.764531 4455.448157 3844.623608 2410.912646 3824.693123 3961.620208 2589.209556 3037.969329 3295.870235 3037.562173 2756.319048 357.8521102 1976.012922 133.2701524 3037.844703 Hydroxyanthraquinone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53.47212809 3986.889969 400.4528237 4.07813e-08 687.6103209 58.5766356 2965.522856 7916.677242 381.2946522 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8600.45443 218.909169 5230.793398 99.44533034 6171.851237 5020.378078 284.8197182 7778.91377 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 204.0486065 4.07813e-08 360.9281351 4.07813e-08 Fospropofol 855.2601762 1181.331007 633.4842567 277.6503125 407.6156777 545.5941777 770.2060874 422.7351562 786.4566468 1986.350927 2407.457507 1215.292601 1547.675182 1301.911835 1588.024532 259.719625 1479.24895 3074.899211 5128.161199 4228.159933 3652.990261 3853.500584 4985.929702 4641.462806 3999.455247 5066.018766 5160.075377 4876.252171 944.051851 825.7833554 966.3656265 1607.632925 1347.271842 2137.988974 1404.056584 1198.245745 2728.917842 3733.596873 3384.960738 3899.311848 4164.534698 4391.14243 4282.477365 5388.244905 7299.924587 3020.843952 2618.658296 2756.313031 2751.380012 2361.017207 1106.254244 2868.2425 673.8149801 2651.54107 Ximelagatran 4806.115822 4720.679333 518.0354683 333.9445033 250.2000805 0.869394153 3125.603254 1541.9911 1196.982814 31814.81826 25541.96731 25214.82436 32606.7486 23850.39051 20748.8595 11868.00502 23948.1528 33216.84676 674.1270967 517.2322941 450.2343119 5149.438066 2297.642406 140.1352587 320.8753979 204.5586352 2650.860886 27638.41766 29019.45147 22431.71075 23097.79712 33582.14325 27314.17387 38835.22038 14504.78603 23644.58915 5685.730461 2006.357557 1596.031856 2519.803761 5138.214049 2895.385061 164.2305029 409.5893009 810.580838 344.4264307 4.07813e-08 4.07813e-08 1410.035529 3766.122312 35665.57445 2088.882795 31715.92992 1553.566615 Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-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 4.07813e-08 12400.42764 4.07813e-08 4.07813e-08 315.1001369 390.2783077 20887.98437 26403.15745 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14580.01983 4.07813e-08 22401.28417 4.07813e-08 19401.68861 15133.7305 405.3169383 14425.19692 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 326.4158824 4.07813e-08 4002.877439 4.07813e-08 D-Prephenyllactate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6526.313771 8016.0346 7138.708544 5646.7755 11849.31111 12767.43894 8192.17763 1842.109472 7539.134581 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12869.00255 3029.125984 6182.365711 4427.398604 5235.251809 7254.944417 2461.351361 5092.03897 9410.178087 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 211.3258742 4.07813e-08 5700.770143 4.07813e-08 3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one 356.2988353 694.9025542 1013.361008 1298.481954 1988.600183 707.4369214 1004.148732 500.7300135 442.078376 126.6730654 117.5745227 4.07813e-08 306.5661625 4.07813e-08 4.07813e-08 4.07813e-08 72.18728505 4.07813e-08 4087.769628 4266.659303 2840.764703 4975.643664 539.7338301 375.3209277 3130.725502 5543.823471 544.9772653 9.955054573 32.09009726 12.04297578 4.07813e-08 170.9160544 57.07005262 157.8714823 4.07813e-08 9.21149152 3488.54955 1691.328197 846.412566 358.9308252 2476.789197 1767.635965 369.3205541 4963.689977 2764.609492 1231.723292 3402.470236 688.0364486 248.5279302 1145.970805 220.7092576 371.1374593 61.28461293 1214.672797 3D-(3,5/4)-Trihydroxycyclohexane-1,2-dione 215.7584161 4.07813e-08 540.530136 923.5727502 676.9875249 516.9499627 358.1926335 600.4451935 777.9846548 476.561616 72.09421269 544.6580543 434.5060639 385.3869579 400.7338483 4.07813e-08 4.07813e-08 97.63269499 1173.201202 1161.008038 1074.279463 542.6419825 641.7413899 667.0981368 568.0247952 2188.133557 763.0101595 22.7017474 19.302699 4.07813e-08 4.07813e-08 33.86259321 15.83973773 225.284823 21.56689637 4.07813e-08 1280.056642 479.5058772 753.9546136 760.1565432 1020.631025 1054.838909 230.0793911 2242.128969 1240.666483 445.372865 1024.453168 786.4496178 1065.498871 221.9517457 1164.839703 900.78939 43.73036649 1234.82101 N4-Phosphoagmatine 1950.304279 1856.271145 1086.768233 3929.333025 4265.486618 1878.135472 1460.811698 2062.396376 1073.823065 546.496175 41.78214638 150.284626 764.7702217 119.2083446 4.07813e-08 4.07813e-08 4.07813e-08 1205.073362 2107.673223 2116.029509 3299.439865 3544.366098 1424.647059 697.2827293 2087.269306 2937.812054 2004.923908 106.3913696 287.3891914 711.4953972 754.9355473 708.6715505 1030.584073 4.07813e-08 346.1862334 464.5227645 3907.318585 1907.444765 1839.399752 1721.437314 2960.596306 2598.985017 998.1846347 2604.055044 2471.405841 486.5370208 368.5069541 1537.247851 2732.995819 2383.96069 622.7122894 1831.443297 4.07813e-08 1139.906114 N-(3-oxo-hexanoyl)-homoserine lactone 4.07813e-08 1079.685699 4.07813e-08 89.29976021 4.07813e-08 213.4752896 4.07813e-08 193.7252595 118.0508223 5520.592064 3614.786979 4404.790593 5899.217399 3322.794187 6220.739505 2222.112516 4642.72535 6141.869536 371.2622159 177.5491593 4.07813e-08 4.07813e-08 108.022762 4.07813e-08 4.07813e-08 98.59849814 196.2377361 7444.185794 5747.439519 3291.237853 5052.95987 6682.136541 5394.808565 8061.176057 2734.746814 4435.101283 672.4876621 177.1814961 95.59805364 96.99813298 94.01749964 4.07813e-08 4.07813e-08 4.07813e-08 119.9546447 4.07813e-08 4.07813e-08 4.07813e-08 310.9955707 539.9938537 8982.822166 152.4690797 4787.312929 341.1423202 Fenuron 6857.041292 5377.219258 6996.378806 12358.30198 9580.494476 10085.20723 9773.859919 4646.422394 6448.798116 1230.036279 582.1348564 1587.902323 795.2898359 366.4661981 512.0808571 214.8259709 441.6482603 618.5893567 16730.86828 17697.86998 14138.80039 18625.73123 19974.1162 21550.53372 18171.70085 15987.53415 15996.50827 816.526209 1368.165495 1289.354643 951.0388474 1179.548744 947.1580686 1214.975411 121.7111514 1306.94992 10344.10278 16460.39093 11449.83863 15184.87058 21483.85781 18311.65383 18336.20063 13844.28637 19010.84143 13944.77971 12075.14536 14045.38438 10196.41195 10044.99323 1929.363401 11017.26303 993.2234408 11289.26053 Sodium salicylate 1071.740022 1064.797169 1075.240679 1065.315991 960.1843859 1003.251458 961.3023842 1013.754849 910.2901127 671.2228124 523.0907753 741.7418032 773.6303097 344.571619 508.0069727 826.2839449 493.4865941 782.6199121 568.5293083 531.1203841 796.1711931 655.7826107 857.4598642 817.6078495 643.7779093 836.0918189 738.7920533 513.8864031 857.375927 674.4327569 1085.987183 74.89234762 726.6799057 540.4845801 694.3856275 632.2363937 654.8200668 859.9479723 604.3602948 658.7600794 515.6437233 794.4287838 799.7981705 691.09527 488.9853063 786.2402776 787.1005129 632.0947052 623.4672518 885.0312515 111.048324 758.1203585 723.4879982 1050.26303 1-(9Z-tetradecenoyl)-glycero-3-phosphate 3834.746251 1965.177945 2414.561187 1343.174976 1328.525271 2159.497299 1687.188342 1486.7523 967.8157897 1324.449257 835.1134534 200.0898064 2224.121304 199.2399382 1697.832483 4.07813e-08 4.07813e-08 139.7822558 4496.762097 3956.399912 4237.427321 3176.096504 3255.172697 5582.887593 2402.944133 5060.497716 3700.411687 190.7262448 652.5725788 142.9535148 135.6124824 122.6005344 751.3427898 376.8223275 144.8417028 151.7500342 3138.056686 3993.932879 3030.041813 4261.676765 2647.69496 3640.111573 4316.520437 4992.592144 5039.620465 779.8802245 1136.013418 2019.207309 2627.965749 1579.774388 177.8266256 3222.690296 259.829964 1697.832958 p-Nitrophenyl-O-ethyl ethylphosphonate 951.0724086 829.5760635 831.4783477 744.9476793 724.845723 698.4133699 863.2315569 914.9702089 1097.669895 657.1758652 690.425696 694.3162243 657.1431736 760.5119956 522.5480523 924.5865416 734.1119655 544.4948067 505.2729956 569.8574074 486.7189826 700.6005761 474.8398607 621.1949875 446.783074 679.4793005 597.7486487 573.6705975 706.7726195 670.1678928 1071.76772 346.3227098 647.7045819 458.0668236 602.3675263 852.8170487 716.0829763 644.5325624 529.210971 538.3021834 560.4298082 766.8430001 709.0443983 637.1887536 639.3323989 671.5005475 668.8844809 630.377973 527.4288658 610.9038936 442.0736924 497.0854253 717.4140449 715.1154509 3-Methyl-1,2-cyclohexanedione 882.9595074 422.2213014 814.7110156 998.8270214 1381.977357 1163.453503 1304.545659 420.8868955 888.0493513 4.07813e-08 4.07813e-08 4.07813e-08 61.35865471 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2318.421633 1923.102407 1487.112257 1639.627226 1725.522463 2603.801211 1910.526812 1314.859472 1494.568591 4.07813e-08 4.07813e-08 55.32276086 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1435.005642 2330.467136 1389.197432 1050.31295 1467.409596 2275.08063 2317.843792 1019.948041 1728.43137 1506.001076 1063.397598 1943.497073 961.2728316 857.7672525 4.07813e-08 1352.9518 4.07813e-08 1083.619715 Ptilosteroid B 27400.91052 5997.285335 5429.728868 6893.502093 6689.497137 14960.27207 4429.762369 43141.05119 18709.54974 1299.68595 9260.853161 3490.031242 1715.478968 2424.49233 10596.27585 1795.629335 9603.139383 5542.727666 4301.914014 3791.221899 4230.586134 3062.251585 3494.999131 3233.468786 3646.994493 4517.273877 3770.206141 701.9704511 3826.17503 13628.04029 335.2650413 9330.102634 5920.864927 28165.07519 3742.908523 10250.5972 9505.539873 2121.01001 2350.611732 3457.732944 3292.517176 3502.901098 2538.24888 3390.373501 4016.146128 1180.608328 16502.76789 5554.008715 34904.15466 17722.22866 132299.0703 10818.99153 57268.68853 9085.984614 Isopropyl acetate 1430.902028 1090.996542 1359.843802 1460.074301 1202.889764 1523.542681 1300.330597 1521.725765 477.7638075 50.84486389 212.7713455 51.76921995 4.07813e-08 365.8265621 51.17423509 339.2752592 228.3803101 4.07813e-08 1666.455099 1819.931382 2111.137631 2434.148284 2078.386472 1893.394968 1807.138076 1850.925085 1837.135665 4.07813e-08 309.3956786 1007.067733 131.4320867 381.2377643 295.9141123 4.07813e-08 685.9364839 4.07813e-08 1697.355927 1568.124328 1378.779415 1778.571143 2115.04906 1917.822836 2225.428923 2267.419368 2138.026945 918.0296698 694.6419063 1470.805166 1027.018026 1280.185605 156.0595019 1408.760498 50.05396063 1428.892087 6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester 23063.88281 21253.59704 22691.11865 19846.61641 24255.48699 23508.99205 21393.79245 19207.48974 17153.77259 15947.54169 14855.257 6907.912454 16607.25511 6319.51399 15251.91051 5324.102215 1050.476161 7083.871431 26762.7693 28534.12499 26299.01663 24852.36265 26260.07657 26769.28898 23470.85494 33598.61033 25238.13777 825.7470624 8909.78946 6953.906251 7361.388315 9355.570814 10095.81157 9625.762349 1806.268652 7199.013731 19216.85127 24929.15325 22924.37039 25318.70737 25881.34901 24752.82632 27475.47545 30358.63664 34567.93222 25198.81488 16362.70592 19669.55807 16124.39981 14879.1803 9292.837547 18786.35442 8542.613791 19436.68079 Carbaryl 2274.175618 1169.955002 2091.900864 1533.283593 1600.913947 1789.525077 1024.942925 2702.950055 2670.048057 837.1820071 5475.687017 1398.215489 808.7410016 1257.751763 955.947146 1579.557446 377.818798 3444.389697 3023.688728 2463.264931 2335.782142 2144.897484 2773.303399 2868.497138 2576.101138 2836.287573 2324.764041 4.07813e-08 808.01957 506.0142703 321.3927884 629.1066262 552.5103335 886.8277792 101.6679699 665.493345 1931.73463 2321.485644 2516.250559 2820.908902 2920.99405 2754.849222 2774.819451 2816.166775 3361.164631 902.6524824 596.6876906 1244.496679 2266.151571 1607.398017 25772.01577 1950.863188 4441.773532 879.7575868 azaperone 1647.842861 16895.86649 1562.773856 8857.530241 3907.152538 2890.095565 3353.901081 1209.554315 2472.370674 27046.81367 34638.37951 63561.1614 28609.36877 59556.54925 24195.06293 36418.02205 5960.379259 13871.24384 991.6422732 4.07813e-08 2428.86048 1095.778743 4.07813e-08 4.07813e-08 525.345249 4449.364689 1283.548361 20103.42815 33989.35919 56051.56073 26011.95004 39141.05623 64661.92728 45093.79657 28301.98203 50462.28662 15826.17165 2011.982369 3140.594825 1138.295241 517.6896474 351.5486319 4.07813e-08 5688.25422 8202.749396 4.07813e-08 233.6617656 691.6286227 3275.498367 10385.8795 34701.35766 3228.959269 28737.29186 1431.835224 2-Phenylethyl 3-methyl-2-butenoate 2667.921918 3198.466402 3765.812638 6056.854726 6066.02374 4935.352534 4729.321694 2807.176308 4662.340273 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2599.552185 1794.106244 6067.927336 7989.233238 3632.395105 1588.196421 2941.243656 3441.058612 2975.649071 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6531.933836 2728.807028 5017.842325 2228.564993 5652.467385 4632.888644 1916.795149 2187.515807 4816.306512 133.4346413 1256.504594 4582.819519 2954.695573 2916.484783 4.07813e-08 2860.534475 4.07813e-08 2630.673598 10-Hydroxymyristic acid methyl ester 16655.57898 12493.03052 20367.30893 13991.00335 16731.91355 17554.28439 10798.38504 10032.6947 11619.67078 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31495.82013 14555.51153 20453.5592 17782.48791 32876.32491 32125.52549 18164.79626 15291.11759 13123.11533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8931.085992 26183.79701 19379.07278 19544.43971 18717.23447 33629.85689 32004.20325 17204.59434 27645.24034 2155.83024 4739.029895 7740.180691 12449.15809 10286.85428 4.07813e-08 17678.24908 4.07813e-08 24521.10515 3-tert-Butyl-5-methylcatechol 19110.29157 19216.6917 20071.54466 24709.84538 19583.58513 17863.15564 29669.23908 9457.679958 14482.18839 3659.569061 3325.644159 3381.785638 3936.06834 4119.174409 4448.195071 1518.001209 896.3110706 4813.11355 19499.39306 25050.7492 19686.83644 23163.59377 22559.16303 21938.32095 24827.31279 12629.13301 11391.22242 607.7834961 2846.737742 2861.79573 2360.035558 1414.77456 1414.291163 2072.360222 873.9359689 6078.489191 14464.06379 23325.40586 20022.78914 14250.28042 23551.96971 26055.72686 19610.04343 11908.77284 18144.11374 18342.25181 14803.08768 32052.81453 15065.21771 11546.72407 2126.05533 22137.72273 1622.66655 12481.44985 Leukotriene A4 24370.85187 21403.65744 34675.30133 27627.21038 20266.71074 22652.02318 17219.30351 23410.77847 25299.73588 120.0932407 4759.162195 735.3951482 133.2951604 1203.226228 572.9593969 118.8707858 4.07813e-08 1341.721688 27418.10009 17826.95267 20663.35939 25103.57743 16850.952 22989.00969 25431.1549 24129.8744 7534.382283 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1485.366249 1574.696781 700.3642638 4.07813e-08 118.8656566 22855.434 16499.66724 32530.1102 23226.19863 31097.68285 13449.60772 24147.73553 17627.61311 35524.55462 24668.37034 19752.17555 7286.702595 15066.01721 13921.72242 14532.38175 9346.631037 4.07813e-08 7572.079305 Chenodeoxycholic acid sulfate 4.07813e-08 1189.837358 489.4595277 3705.624209 1593.942788 4555.449001 609.7861234 9212.152615 19549.97141 2041.080737 137.6561843 4452.076897 1681.000817 10915.42812 6655.274365 5491.768941 1993.501547 28813.40594 740.227493 1175.32435 2333.20715 6204.463659 13595.13407 1266.940955 2242.509193 2571.667744 246.243045 388.8129879 1377.160232 1004.671443 4312.632589 3849.849023 161.0494761 1722.913522 146.1919277 2674.389215 3350.554178 4.07813e-08 4.07813e-08 517.9646869 1270.828171 5719.042468 1507.966911 1157.801383 179.7898134 452.6015767 186448.5025 9625.492432 11895.13677 15867.66905 119024.6538 9216.753299 36108.0589 3968.406108 Panaxacol 20768.60238 19971.4171 20551.28385 15928.81777 18258.35327 34148.76353 29937.85106 28724.52038 31680.06187 424.6848138 164.9325687 4.07813e-08 410.312769 314.3871898 365.3257057 106.4073523 4.07813e-08 842.3910964 72956.13593 58146.57073 40785.11166 33614.90657 55125.94734 54130.59938 37808.76337 38641.66558 48294.02568 4.07813e-08 115.8507084 4.07813e-08 4.07813e-08 4.07813e-08 82.68353782 4.07813e-08 4.07813e-08 117.6302016 21050.95734 47473.69473 34016.61483 35999.38773 35399.17814 45976.98875 49488.86444 35680.67746 45252.85713 59291.0723 31674.41661 41449.25078 17449.24074 10846.78616 1305.191565 30912.69517 468.1821295 35719.80065 Uridine 5'-monophosphate 39411.68585 35096.66147 37764.99684 34797.52454 34455.80937 36002.3587 32894.25381 39618.55097 38412.02079 25716.13658 25020.7597 29289.43645 23725.55145 34732.65865 25772.66725 34235.65433 15972.23367 39737.84209 27018.13109 28701.77251 29127.8234 32801.25975 26710.18644 24119.41801 24870.11892 25275.43513 25022.63362 23153.85801 33062.27829 25868.25678 35211.51375 27469.47288 24774.15123 26494.04523 29569.4357 31022.12107 33383.33054 27104.06034 34211.84239 25170.36757 23874.83157 24268.43014 23400.51247 24212.47442 24962.70274 37178.93506 32138.56576 34278.03166 31652.80333 31147.11551 24662.167 31338.08257 27421.09557 34661.30927 Lucidenic acid H 68610.5958 110190.5164 145459.0334 53293.68743 41083.81063 150350.0946 53952.07982 229579.4141 215584.5808 1726.003994 9169.981785 36628.84119 3157.65337 42981.06956 30361.84926 22594.56507 68511.62898 42035.56625 278731.7875 189312.6298 244760.222 130100.09 109575.9887 23907.73715 47877.29567 20044.08766 15081.74645 40172.68998 15516.61658 1955.343112 13754.97898 3853.442928 2189.17063 20082.06208 27123.37006 9131.062097 161259.8747 133222.1485 258336.0857 216153.9401 83729.61306 109973.6338 19421.12801 14952.45716 8469.515546 453970.7481 358179.5034 212732.5593 203059.5764 92620.00285 26806.65047 230291.2904 5365.728331 109419.4191 7,8-Dihydro-3b,6a-dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 7163.077667 10090.379 13628.36217 2998.067236 2303.039873 13981.65566 3453.016498 22151.51545 20031.73451 4.07813e-08 446.2245563 2546.954622 0.973567306 6850.906109 5137.795926 6657.770311 11608.13304 2846.527029 22685.26094 15527.36755 20980.66442 11272.59384 8958.589815 486.6350451 3882.827107 4.07813e-08 4.07813e-08 2476.785792 369.8454437 5.85935309 267.202469 339.8895418 4.07813e-08 1274.281606 2162.179262 272.1082343 16982.01191 12560.69946 26946.43974 20477.85376 7244.557121 12401.57878 680.1314536 4.07813e-08 188.5380465 31847.94436 23926.28996 19506.64754 16787.51391 8302.305257 2912.484699 19908.26492 4.07813e-08 12258.66937 Ethyl 10-undecenoate 16613.4574 8437.967005 11717.83453 9490.851887 8214.222432 10946.48833 7998.173408 3924.215363 7047.437563 2889.806481 1851.316561 1478.059067 2775.318704 1764.976735 1026.702967 2188.021713 235.9962651 1413.402846 7638.059137 6512.025584 5632.883404 6846.774984 6964.113689 6969.524544 5114.376927 4344.255531 2668.295136 214.3148033 2075.998456 2244.935258 1925.76431 1556.605755 1352.465621 3110.408126 124.8815646 2510.605696 7094.270548 8806.721463 6877.994909 4555.408604 6014.278894 7591.351997 7487.543781 4223.548063 3288.591864 3757.99771 6277.075793 8697.245528 4114.962013 3887.918709 1314.901992 6314.431752 2078.784808 8087.618934 N-Acetyl-8-O-methyl-Neuraminic 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-08 717.5539719 7505.480892 4325.069618 953.3512446 6551.594774 2935.044421 27044.91917 9677.220491 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19055.46418 4.07813e-08 4029.861331 1018.344821 1909.642184 8483.018995 1277.513328 27374.41788 4268.393441 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1107.865123 4.07813e-08 Methylhildgardtol 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 17553.79985 44694.76082 16420.55949 6908.94721 51476.04844 13083.59741 33552.1743 54800.86922 11240.89314 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12015.684 4662.04605 15421.64489 10367.96991 20443.10342 7124.244163 3609.337335 4699.323979 7622.694516 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6416.894707 4.07813e-08 7511.00281 4.07813e-08 Nicotine imine 6431.779112 3254.910427 4649.603024 3774.175358 4073.985448 6220.909967 9742.768799 1385.289833 3196.569246 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4766.520015 3400.514231 2664.286937 2993.772827 6704.005383 6861.946113 4740.992019 3196.345517 3902.873487 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3910.911373 3340.145092 3056.502125 3572.594645 6049.820124 5573.16929 7317.383049 2645.285838 2297.423184 5959.53678 5437.273952 8174.457143 2728.112728 2390.170233 875.9649073 4118.441901 4.07813e-08 5314.215215 2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one 29927.86643 31692.88183 34520.37464 6119.07465 5348.728224 46126.72784 4448.111735 54975.65057 60030.50963 878.8869226 913.2667772 9900.229587 677.3535007 21069.01117 23421.46466 2062.433963 63523.65263 12514.08252 60807.42585 28691.69781 46272.30196 40670.71694 6445.965115 971.2509261 5204.126141 4.07813e-08 196.2089828 9527.606925 8704.009673 4033.608594 27260.13486 19700.42613 3895.715815 22234.27558 23151.96821 2449.51899 38341.97063 16694.0255 61682.95747 32341.32384 12072.03409 25676.90039 1480.356433 4.07813e-08 408.3769294 129070.9197 201293.7848 56591.23335 65814.74969 24626.50788 13793.81669 71024.60389 684.5369236 11903.07941 Oleanolic acid 3-[glucosyl-(1->4)-xyloside] 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85745.85996 70879.99159 66036.70806 50038.58537 103542.6699 49710.23881 41549.03444 89231.54529 113259.7996 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31746.62025 47228.60874 60611.84757 63072.64928 52747.901 34911.73704 30811.00813 45057.32461 58291.62209 4.07813e-08 4.07813e-08 29.27478474 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30669.84778 4.07813e-08 100956.7605 1272.237072 Sannamycin B 13982.82227 15128.33001 6523.214168 8852.198594 5581.64837 6812.019735 3935.859143 16017.30876 16154.21744 7405.603608 6699.90994 4689.954899 7740.600508 6960.098726 1567.30807 1337.237055 1051.940351 23584.64553 6975.71361 6464.631494 16081.458 4622.152349 3468.641934 3663.203546 6536.144544 26851.43566 13676.86075 12178.91591 5142.169036 4929.201149 2061.564046 5407.275572 2914.621567 2193.546115 4.07813e-08 5487.746458 4775.880403 4317.025749 8125.748122 3188.374592 6717.887389 3354.341068 2151.873512 27491.45886 7573.51604 8553.834116 7115.283641 9198.642795 18276.07895 8880.188701 9787.299136 12304.19742 3441.611139 1339.165761 Gamma-glutamyl-Serine 18079.75441 20411.58363 11032.98879 18228.6006 8478.317728 11229.36675 20139.19903 29254.69701 36129.11249 6188.097306 28765.96116 8997.775712 6425.373413 2360.95535 6939.216756 6571.611716 1806.731267 3378.296537 6120.56982 8040.727574 10443.38151 4562.493241 5891.311324 7327.391246 7648.944011 7278.254073 5124.894591 14463.57551 6211.357245 2561.614242 6974.236996 3714.62761 5892.295476 5662.148115 9721.973707 6113.58576 8293.365625 8681.915542 10642.35025 12577.50968 5429.040846 6890.137186 7516.84551 7852.215161 5138.406749 3389.491997 11202.69325 6860.13535 9649.24278 14606.71787 4800.856854 7089.3446 6047.272093 5335.672368 Threoninyl-Gamma-glutamate 28590.51861 32046.82359 15540.87159 30671.42369 19905.78595 17391.17829 32709.40345 41295.61311 48864.45703 3867.076677 6429.277529 5764.582974 3388.505204 2090.309415 2048.351169 2388.853152 453.1520408 2132.982454 6601.746989 7424.512463 11372.55824 5295.188011 5405.716001 6838.958963 7916.642475 5775.582341 6829.107137 6346.315813 2209.104032 1148.193804 1568.237151 1325.096069 2006.95774 592.6886232 2957.033044 1859.899482 10681.63709 11054.99485 16945.90563 14137.00083 9755.038227 6431.033286 7486.739986 6943.845144 4082.079563 8600.173701 12979.72374 13557.83779 13624.15082 18298.02422 1061.95394 8848.483936 2409.668841 8453.778842 Deoxyguanidinoproclavaminic acid 7470.442087 6020.449049 2192.916717 4882.59427 3656.371134 3420.061831 4989.32723 4959.66139 6669.68889 3412.609468 4524.807698 1538.407322 3568.595531 1592.002876 1799.728348 1311.203361 4.07813e-08 2055.173869 3064.129442 3510.794245 4969.180648 3844.261685 3527.74916 3088.278445 3906.924423 4487.762658 3946.674049 1558.183779 2583.648883 899.2933105 1633.865506 1991.202199 2299.841825 2395.84514 2116.225839 930.0495318 4770.15614 3935.090588 3933.658523 4867.5682 3875.293776 3364.609535 4126.761618 3104.265769 3509.400536 1593.109126 3028.511793 2365.021766 3261.316803 4872.292056 1228.48583 1618.183969 1846.234788 1683.423835 3-Epihydroxy-2'-deoxymugineic acid 5242.474148 20891.82628 1489.384819 10033.31721 1256.300776 9208.008859 17785.12403 11083.59792 52210.96884 77651.17148 68097.92648 42879.35855 74318.15018 46675.46657 31972.09035 26316.46858 11570.45244 54493.70311 3582.244156 3238.269746 5620.136417 737.8239793 6128.368223 6459.528841 6540.912468 20614.82753 7424.424891 47422.82213 65263.68979 44994.50903 45155.50636 68604.57259 62903.46639 49484.4804 16152.52011 46673.55596 21553.10481 3386.016546 4259.924082 6164.585823 2447.754409 6415.695192 5878.14644 18547.34547 18456.28667 5188.455252 3693.888806 6264.8101 5778.239717 19553.62002 76109.29568 6719.819547 54111.34793 11314.50026 Diacetylmonoxime 2738.933843 2765.828302 1537.864396 564.7901011 1530.747591 1509.936322 1068.760293 708.9190821 1326.578861 968.4925924 419.5637238 404.2920427 1901.799432 494.9490957 4.07813e-08 1094.739218 4.07813e-08 4814.442138 2238.663847 3701.552224 2561.833506 2767.959156 2977.979861 1445.871247 2503.113268 6178.8917 3259.110498 408.0376161 431.7028372 291.235609 2413.664996 542.0869119 843.0916423 964.8556975 195.9810673 1580.224978 2692.872615 2155.844223 1529.88643 2954.394674 3352.09743 4428.004648 2493.482468 5850.344807 4018.21116 2617.443906 3592.79641 3004.892388 1816.977518 2309.492171 1585.408937 1629.959101 467.6028618 2077.347273 N2-Acetyl-L-ornithine 70582.59772 72866.14493 35103.67745 64252.18145 37589.38215 36333.3048 67293.38221 77655.76769 89811.71858 6740.156759 4630.537647 6971.990031 6276.707342 2190.991445 5845.169522 4759.360355 4.07813e-08 4661.346812 7533.147755 10292.79801 16648.95348 6378.526456 7965.805228 8398.255411 12220.22941 6507.350652 12034.55869 9573.835467 4500.960565 1324.749652 8002.319597 2681.890669 3719.363155 4032.851654 9195.756972 4888.490647 21441.75245 20329.64029 25446.12251 19976.68458 14422.30847 7616.037645 11165.0994 8530.136091 5834.33937 8170.312594 15625.44641 16614.95148 32293.79222 37415.06206 2747.168897 13529.77824 7419.92535 15345.8052 N2-gamma-Glutamylglutamine 35883.29735 43864.15162 33380.5033 45037.3299 66507.02019 37606.3642 49562.54283 46747.16735 47845.78549 22837.52004 23106.66729 14398.83912 19915.77024 6370.204194 12031.9201 13560.35391 6053.976196 18109.17485 55234.21099 43374.14415 43125.80169 46857.31513 56613.67859 55723.55224 49794.45124 55698.37986 64198.71421 23534.62344 22971.05733 11910.44018 24777.33957 14066.57517 16064.34752 12321.55181 11009.72432 18405.75664 40148.17862 44751.19089 39491.63979 47574.32631 47568.21577 61500.66856 60475.49369 56955.28667 67540.46841 37281.2148 43782.65662 42589.69729 37913.22219 48501.07891 21585.83 44491.50276 33020.1261 44186.0739 Lycomarasmine B 4.07813e-08 1108.840653 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1767.110415 28957.66987 30615.36652 23380.05275 30257.15723 22712.14926 15774.5068 17134.93696 9096.030917 33472.58884 194.9809794 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 126.4300291 122.0587761 17121.64871 29539.08562 34525.98951 19070.09993 37662.60037 20407.09184 14460.3727 8192.753285 28676.85346 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.636862483 4.07813e-08 176.3419 4.07813e-08 4.07813e-08 4.07813e-08 568.8006693 1321.440287 29646.56521 4.07813e-08 30065.69702 461.1940341 Prolyl-Serine 57929.41802 55635.78196 33174.64688 61311.52496 55218.8223 34133.58875 56061.36617 89103.31854 88215.07127 9888.239402 13196.08739 12686.91457 12012.97046 2887.020549 11426.50251 12470.2605 7944.836028 6739.819776 9335.518218 23001.6137 12817.21531 6397.297907 9643.672164 11766.70958 11779.49471 9442.620782 13163.24565 18198.60223 12191.27065 6126.226219 16201.39815 6185.714247 7933.430721 12062.33009 15243.78426 16786.8829 16602.17463 14581.85945 20786.84294 19811.86426 11491.91671 12115.84607 12448.05702 9788.205924 4951.495102 13915.22696 22146.57903 20183.51447 35358.07718 41409.1826 4951.223252 26750.56274 14749.8159 20514.67493 5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone 24012.95591 95529.31196 48946.50925 54126.98855 44111.50764 33617.46501 62173.51203 35283.00603 45385.99415 20747.09743 15430.25266 41332.83826 20390.16094 38804.50713 44120.94583 48392.97372 33825.47819 100128.2353 11378.70614 7613.594753 8749.252356 16580.48007 3922.434478 6925.346243 7266.444339 31606.0316 14477.6574 22564.16427 40984.6076 30418.39353 22091.75822 29628.371 23893.6763 49253.13031 50053.27271 82012.84813 43388.40485 13101.85685 12795.14635 6986.151463 13519.03061 10182.91349 3464.065249 32203.44981 18752.63957 10583.3057 25294.07411 16023.29052 32232.05348 45927.85909 58501.06808 24466.11701 45379.61612 67939.15405 BENFLURALIN 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45598.05147 41328.5865 30035.82037 26985.21382 34570.39151 34380.46326 23647.37058 707.3391937 27205.35033 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31935.01757 53192.61127 10111.04149 36113.33961 30735.5323 95188.4114 3782.026382 31238.20272 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3828.791236 22208.59164 4.07813e-08 43345.52802 4.07813e-08 Asparaginyl-Hydroxyproline 22089.30795 21178.20566 18280.33806 15585.44576 21716.43796 16090.67588 17894.64649 18323.91267 29575.85825 96633.09044 97815.84717 67675.83807 104718.5747 72819.16915 59684.68621 66001.39075 52977.77569 121722.4674 30807.8481 24916.18236 24912.13102 24293.86431 27867.96288 32864.01565 26832.49935 36209.65618 36604.26127 64496.7751 86738.73065 98638.03241 76742.44262 100623.8733 59592.35301 55996.13196 38508.35112 95493.83047 24016.4199 24647.40045 23749.88309 25764.96264 26063.73248 28876.0121 31422.47953 37933.96153 42550.50222 21701.56843 25079.4455 22034.01269 17961.22803 28366.62579 92582.42096 22917.95834 101348.8946 20499.647 Imidazole lactate 41691.99339 59467.68557 57288.71661 88971.33079 64248.98029 70771.83787 73771.39452 82075.32809 51070.15743 46241.22323 51012.74375 38334.47665 41444.42025 35786.94459 22848.9662 26263.42396 21737.7875 47181.24615 24883.21677 19449.73467 28778.11097 28472.0287 29648.88149 20187.14445 27776.48945 20549.49065 36530.88751 35369.25168 37083.63389 33263.83254 31231.34552 45522.96003 47806.08874 34482.40984 20149.40409 26426.88193 38472.4357 38430.89161 38300.59485 32646.57606 29656.10536 28801.32381 21494.43992 21660.34348 22204.71172 10954.60978 19170.39022 33190.92653 36506.31189 43119.1853 50924.27993 32409.26396 37996.165 43427.04188 2-(4'-Methylthio)butylmalic acid 58947.88163 88547.58987 68520.3038 76551.76878 75863.28684 53775.49245 130791.8051 104631.5145 103165.6114 8996.478838 11037.47442 19546.66587 14276.68376 14197.44144 1230.932012 10473.19403 1351.436376 6237.781973 11992.29326 6523.893884 13697.54961 16121.03719 13876.46895 6463.697823 11554.68773 15633.09248 19196.71519 4.07813e-08 4123.308047 17465.41064 2301.931204 12396.1507 13172.05959 3999.695334 4109.811795 12582.36451 53510.359 23276.07703 31953.61685 13836.84437 19637.05661 17908.79579 6492.381127 14714.59813 20001.58154 18956.01264 22107.30812 31407.513 56481.59126 66983.95767 7748.56889 35840.76878 6052.169254 32927.51752 D-1-Deoxy-erythro-hexo-2,3-diulose 44447.17882 105186.6983 79271.59593 78416.89659 202030.3218 319330.7332 217623.1195 147737.4963 58901.57472 88705.59786 89006.52815 99872.72946 91994.99637 91358.89146 69798.51355 72325.76468 54623.54425 77435.64781 33682.74084 25950.98483 43501.60595 39335.9372 57877.5901 42710.28432 37323.52767 49634.37154 68201.03877 63668.29587 78425.63263 101081.2269 71800.25301 97185.79279 105321.8202 83666.00791 44349.48598 81835.55917 76414.29141 63676.18531 57929.27421 52082.52274 44640.02778 41007.90896 37489.90607 47676.01178 66277.28979 26414.26628 24364.43645 35767.10273 53249.60202 66757.68706 106872.1749 32418.09397 73286.8295 43704.6667 L-Fucose 1-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 4.07813e-08 945.0654441 2783.663667 1180.313551 2882.9844 3445.559321 4121.240572 19942.00291 7726.512638 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5722.710247 1447.212859 7297.824051 1646.560737 9136.088848 543.9067774 4.07813e-08 7117.897351 5316.892488 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 319.7571772 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5965.894694 4.07813e-08 3532.454279 4.07813e-08 Diammonium sulfite 231.0238684 4.07813e-08 244.6306602 561.6813258 271.4362089 415.9896002 399.0282318 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 313.8118454 4.07813e-08 4.07813e-08 4.07813e-08 1572.04275 1106.77968 584.7906656 1672.538037 1388.065285 1162.274699 920.2399526 1443.99679 1491.006427 4.07813e-08 4.07813e-08 4.07813e-08 286.9938563 1.530580295 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 476.5043324 1510.941866 935.1764555 1615.850316 1453.475373 1737.879285 1416.531031 1395.631721 2822.520828 2162.19686 1774.838808 1062.12932 957.1530492 821.568096 4.07813e-08 597.5247962 4.07813e-08 1394.794836 2,4-Diamino-6-nitrotoluene 20071.46793 4896.097478 9947.063121 30773.52977 14701.85101 17055.07614 16327.29135 28269.44789 15475.87865 2191.003552 1460.904822 171.2882784 828.7248561 124.4447912 1347.881976 592.0477956 108.2332704 2154.029433 16561.92694 16302.50833 14693.11284 10240.8443 24229.28579 42838.20313 15699.85164 10940.71406 22020.83226 113.5485445 1275.578661 1159.837467 101.0549326 863.1385592 144.7335785 1703.093166 162.854928 696.3045345 7003.710587 12884.1366 11681.52234 38437.39755 15422.20856 20310.27286 45317.44484 11191.32132 13266.65118 19813.31912 10900.56472 13262.06251 21315.63158 14726.5546 253.3648058 22082.52918 2418.550531 30590.12468 N-Acetyl-b-neuraminic acid 15216.42064 219855.8224 13319.98998 13851.20857 17394.27125 19815.26106 27835.57977 16244.48286 35234.04971 111839.307 92852.93661 61235.66582 108625.8887 62672.00762 70839.11364 49530.34866 39022.73705 69867.00018 15516.51641 20911.77493 19313.85926 12594.48819 17568.71106 13956.297 21689.74007 13055.84519 16611.05654 92236.19482 100000.0846 60878.4443 74981.34737 113386.795 94083.58984 108248.4154 40464.89281 59938.80744 60595.43536 14084.07516 13584.86334 14708.64357 12148.10516 22487.70753 14303.82899 13882.53366 15903.08909 27336.28006 18426.89211 15527.85415 32798.61332 39048.34908 104668.0052 24213.71995 84896.07481 78010.48662 L-Cystathionine 2284.633553 3326.362586 4027.058672 7226.351447 6657.529938 2527.340509 2836.824802 1031.263673 1373.863158 2663.764161 228.6008621 14.28134168 3045.467767 3.480347269 4.07813e-08 4.07813e-08 7.239324964 3.877272995 3046.645402 11340.00478 4917.626522 3844.130965 10325.22994 5372.158268 4968.715443 3636.959486 4625.885278 3344.073812 236.6318318 1284.190678 205.7190798 4.07813e-08 0.127029435 2537.118913 1107.087719 2228.412008 4087.091192 2706.777484 1884.148126 7385.505256 4054.752342 10807.67226 4267.002737 3417.412221 4403.950275 3096.458798 2544.829664 1489.538631 2701.955236 2986.831598 9.14106052 2609.704831 2795.131621 3443.411548 3-hydroxy-suberic acid 7598.110332 6923.075094 8059.810205 9556.718097 12705.63748 7960.037705 9291.112136 7991.359858 8229.001325 1382.567657 1381.198793 2361.77718 1893.615782 1684.791742 1749.20831 1147.797276 625.3674634 2431.087559 12568.4529 14627.65314 13134.02578 10456.42637 18289.65836 15488.20157 13263.99563 12724.47418 15266.45427 2416.65915 2561.867543 1899.142587 1079.803992 2788.466459 2557.113276 3050.124748 972.784959 1232.876158 9544.839782 10204.47728 8558.915441 12957.56101 12275.90185 17279.0386 14757.38627 12364.48179 15243.5083 10835.88248 10538.20373 10043.94755 10832.09216 10292.44086 3030.644574 10939.50605 3101.728469 12851.97461 Imidazoleacetic acid ribotide 2888.928378 6660.740728 745.3649721 4128.902576 2262.961187 2069.126817 2880.210047 2695.771459 4944.075153 554.9625638 484.7511619 413.0806547 2048.274494 632.7146092 1.441652581 411.2416734 2.550941556 101.6643054 3098.633979 3583.744546 2388.036757 4634.081538 6095.165965 1985.124626 3635.598979 22636.18233 5898.269408 4.07813e-08 1073.115925 621.6763251 1251.494732 701.6837832 705.5201059 1808.004649 211.8782852 2388.619896 3073.565012 2063.147413 2030.291573 6515.985307 3641.685108 4718.659355 2520.754244 15532.09533 19180.18812 2098.441636 2441.101037 1791.984141 1190.062419 3069.345192 6.457613581 1451.35086 10448.70091 2349.710396 6-[(3-carboxy-2-methylprop-2-en-1-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 1343.831449 2483.392092 5199.185733 8665.526377 9157.01411 4633.278584 3887.192574 1172.675253 188.9486251 4752.64014 4699.041396 9696.904338 5955.283775 7781.758143 3973.38525 4984.97839 1262.221138 3100.802526 2856.448448 2551.572348 4534.456517 3681.230485 5748.652719 3798.789608 5830.708517 3063.315004 4872.511225 6631.013402 7920.137363 6720.718091 4974.977672 6399.163846 6970.267079 6571.089382 3410.577896 7718.367887 3702.653413 2114.020848 2995.719451 3217.21174 3384.076565 7294.748419 2826.804943 3196.153103 3043.591444 4448.860621 5217.640725 3093.616731 3350.595511 4993.618955 8091.711204 4508.457559 8153.221407 4144.023965 7,7'-Dihydroxy-6,8'-bicoumarin 143.1233614 115.2956207 4.07813e-08 104.2192819 84.24220348 4.07813e-08 4.07813e-08 114.6322402 4.07813e-08 1633.027442 1600.177967 1171.715053 1640.237644 1448.5652 1038.597817 892.367553 1723.398558 1867.819504 143.8736837 4.07813e-08 60.05750418 96.50232511 4.07813e-08 4.07813e-08 100.4362477 262.2921214 4.07813e-08 1167.881003 3265.268816 2288.109125 2505.000458 2089.593712 2195.745859 2940.66823 1906.205252 2352.570472 62.84415839 4.07813e-08 62.7682759 4.07813e-08 4.07813e-08 110.8777965 153.201843 4.07813e-08 202.1582287 4.07813e-08 138.1188942 4.07813e-08 4.07813e-08 4.07813e-08 1599.660124 120.3881471 625.6482196 4.07813e-08 2,3-Bis(p-hydroxyphenyl)acrylonitrile 11192.68749 20972.65115 4804.983646 11681.9731 11836.95342 13681.89808 9758.315125 14677.61647 6401.573894 4677.339401 4257.22414 1683.336704 5087.524975 1853.442686 3495.11913 3645.40396 862.2373971 3200.696147 2503.458906 2473.971128 453.9290791 748.329392 542.4310131 433.8131196 777.2454992 1156.728786 3186.575966 3929.411659 2476.655839 4754.254592 1147.621629 3395.102423 2700.591235 6036.827522 506.2380707 3310.068844 8132.767019 4603.584208 4810.769745 1103.316301 554.9619244 1003.552332 150.6324984 1141.619709 1351.138469 789.9460893 899.4942178 6439.284348 13691.15606 13400.17173 5534.592202 8453.015089 4444.373194 14597.02594 Thiotepa 4089.139397 3904.981415 2319.281484 3171.001928 4638.668152 2563.05317 3558.393457 6377.900654 7694.801547 6397.919462 12551.37731 1921.038644 9113.745312 6908.013042 1781.345284 2835.178578 1944.775707 6203.649106 5238.539823 7300.113984 8272.255172 3533.515444 5348.613477 5046.88569 5521.840621 3902.256029 2538.406614 3129.968416 1543.787916 13828.46404 3623.275878 1202.757313 2192.393813 6741.58469 2524.656395 2173.937057 3860.685294 4244.194657 1891.871963 4539.011538 5299.389918 5310.582453 3927.582356 2083.24048 4705.305311 4462.026533 4065.174109 6773.172814 3240.412571 3394.155517 4329.270304 5172.0747 14633.95651 3846.118902 Benzo[a]fluorene 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 130.3204539 4.07813e-08 4.07813e-08 5940.258282 4376.630614 3193.38083 6510.845455 455.9168107 4833.772383 2397.013672 2344.288425 3639.099008 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4910.288729 3750.21417 1470.083929 3354.809932 2075.349992 1813.475511 4143.276728 2338.890593 3662.487961 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 531.080092 3666.318395 4.07813e-08 3164.447624 4.07813e-08 Allobarbital 2606.891937 1883.15584 1197.076411 657.5577951 691.8881315 1719.071424 1804.885497 1182.918615 1448.56407 1661.6159 1392.430854 381.2945883 1829.62961 145.6533679 1057.372015 50.95428847 433.7641959 506.9122914 3236.801137 3136.481704 3305.801251 3580.108018 2964.814874 2573.750985 2610.330425 3255.516627 2837.057937 1067.032896 1270.284737 208.1163522 1016.498194 1175.515957 935.5288177 1966.223585 181.6404426 135.905291 2332.653688 2570.258966 2117.245254 2784.825291 3805.054876 2863.323698 2265.415783 3055.205904 4292.861935 1779.411439 1622.594372 2042.182222 2058.299171 1792.870366 1392.196995 1834.169853 972.8315958 1992.898661 Beta-Glycerophosphoric acid 7899.937124 6456.958874 7637.460829 7155.30397 8462.493058 6970.892698 7405.850395 7459.441413 7835.558029 5142.962271 4016.251326 5537.953377 5769.580701 6427.496222 5004.765412 6687.383276 4504.863485 6429.642054 4517.06701 6139.635489 5828.523339 5190.69078 5364.871456 4690.656506 6498.716035 6189.877645 6818.611311 5133.416134 5405.986011 6354.51263 6892.027561 4906.534719 4761.152096 5218.953084 5591.81945 6595.106897 5755.987151 6026.851618 5970.345999 5581.870299 4555.415656 6066.597561 4751.766108 6345.64098 5970.31517 6346.69604 6793.109227 5065.376089 5729.366682 5957.678745 4450.290413 5836.180704 6127.236946 6420.366774 3-Epipapyriferic 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 24265.73 29854.61884 14765.64758 14100.66658 31221.89885 25412.63901 26674.42382 67894.33773 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24259.16353 9838.775646 32197.84352 25890.5116 52652.49475 24057.97671 22574.00975 34568.10367 18929.71037 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22450.27779 4.07813e-08 59301.79821 4.07813e-08 Ginsenoyne C 18710.16342 17961.2194 17781.59928 17950.10276 20297.4497 18282.10214 18704.54029 18996.0738 19232.5911 14783.12999 13254.41009 13183.12781 13884.89769 15560.2266 11571.45979 16459.42552 11499.78927 15794.39974 13165.91936 12322.18169 12920.16223 14143.74961 13840.33428 14033.89775 13495.04356 15913.46887 14923.81958 11940.13435 13986.76862 13961.14097 16236.14811 13005.30433 14685.84599 13112.30449 15958.75549 16839.50532 15856.34728 14575.50307 13648.59724 13120.30705 13614.48258 13078.61891 15100.34516 16300.49485 15372.03282 15346.03758 15026.19795 13258.69629 15079.4532 14459.38658 11361.16199 14711.78907 15697.14527 18281.49127 D(-)-beta-hydroxy butyric acid 12116.9549 11969.07126 11869.14117 11116.00069 13088.1919 8608.59881 10188.98423 11821.09642 10219.71196 10892.08661 10227.00008 9074.158603 9407.138145 10735.79661 6306.343777 12275.34254 7930.106201 8792.424909 7374.869705 9356.94909 8243.908447 6242.416538 6827.968043 8429.978078 9247.539953 11800.28348 10617.09022 8875.695444 8753.817277 7244.493244 10164.83035 7765.845971 8881.553885 8906.49928 10496.41711 12572.14473 10218.55177 5496.96744 7741.069308 7135.341567 8326.8269 8438.968075 9399.368912 10460.56334 11415.52795 6698.240837 7489.801096 6372.640355 8129.565344 10031.51748 8284.791431 9361.999726 11886.54104 15029.46663 D-4-Hydroxyphenylglycine 4511.836307 3792.702157 4296.387771 3401.54197 3860.487997 3667.13284 2749.03235 3477.038653 3734.11277 2126.516283 1815.549749 2220.595912 2132.365028 1404.656558 1337.443465 924.44732 691.1294038 1880.591216 6256.515329 6632.568443 5827.935583 5319.308523 6943.139842 6510.474197 5845.087363 7824.990374 7074.707175 2112.222578 2110.19191 1403.317473 1785.537401 2088.65561 2004.760426 2190.412568 973.3176926 1282.104544 3927.401945 4919.686829 4455.337921 5466.913601 5610.223377 6501.791082 5855.910513 7312.246396 8710.642972 5084.017656 3998.947488 4518.766864 4280.762021 4401.829394 2355.113664 4412.185296 1883.379222 5336.575632 2-Pyridylamide oxime 4.07813e-08 1049.414616 332.485272 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 113.75591 2631.619573 2918.032818 123.790201 4581.495971 246.1885536 50.2886214 48.64957995 247.4759655 107.2448824 139.9645406 124.7127735 4.07813e-08 4.07813e-08 4.07813e-08 84.05364452 4.07813e-08 4.07813e-08 4.07813e-08 138.1735813 4.07813e-08 457.3622808 479.757343 357.7758482 93.09763882 1276.612558 40.61434968 1803.423142 101.6761637 50.32892536 4.07813e-08 4.07813e-08 4.07813e-08 118.2826754 4.07813e-08 4.07813e-08 4.07813e-08 115.3671084 233.8407746 4.07813e-08 375.8453266 2013.835203 690.129999 4.07813e-08 897.1776867 395.2703523 L-Fuculose 787.1160358 12091.39505 4.07813e-08 522.2147004 4.07813e-08 68.04350454 4499.713954 3111.921663 756.4164006 37671.67015 32382.95072 18932.70724 38065.56037 17073.22713 27765.89155 17154.02115 22509.34196 26976.40536 4.07813e-08 27.83050003 1.884933427 6.534097945 16.96670794 4.07813e-08 13.83879054 10.51160848 49.52537423 29514.24461 33130.14653 25413.88186 35470.97461 33455.45424 22848.55712 38257.07738 14128.16018 25461.05577 9881.995657 4.07813e-08 56.70132406 6.527599354 4.07813e-08 66.68056976 4.07813e-08 72.98265801 66.77754693 4.07813e-08 4.07813e-08 457.3082045 5461.490439 7786.968771 36598.32494 2749.922761 29797.14065 2544.472387 Benzo[b]fluorene 4.07813e-08 1214.66193 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23362.84378 20882.55304 16755.18005 23663.41159 11622.28062 15477.74089 12842.54667 8256.207452 19278.62642 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19181.14565 19433.17906 19107.18561 12476.44105 16288.20157 13894.8867 19576.37829 6590.010203 17430.45823 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 271.5765599 990.3435222 13908.25177 22198.27952 4.07813e-08 21145.08437 4.07813e-08 4-(o-Carboxybenzamido)glutaramic acid 535.2590436 6781.097281 913.6050385 1178.634849 1714.542368 929.5014731 571.6549192 983.6022181 878.8211168 4143.324798 5834.061675 1031.803021 6532.874863 1023.889252 474.4679469 108.3889574 463.2247348 1138.352927 1181.290582 1668.6427 1227.969505 1140.205926 2125.743541 1276.696911 1405.310961 849.4333599 1630.932227 364.8700915 1267.090939 1367.437132 1206.984872 1731.757484 657.9384892 4399.365014 382.4644967 4921.574944 938.6808445 1013.717882 778.2267127 1441.299776 1202.501618 1987.479402 1195.732511 770.0207451 1414.354639 839.9687083 405.2885836 1161.063311 1217.488978 4365.616186 2069.41962 1364.967511 1461.108152 1181.959764 N-Phenylacetylglutamic acid 268.0001444 731.3745844 73.82186702 819.4312659 482.3757792 4.07813e-08 75.24077774 733.3156879 343.1190451 4915.242885 2845.00775 2398.463585 5080.358032 1507.000294 2339.464084 1003.900502 1203.378443 3768.610648 642.4946855 617.3388268 504.0044462 315.2421846 229.857206 258.8933617 710.2076462 449.2891967 240.1175514 5707.768169 4358.755724 1089.869911 2251.593263 3175.739395 1827.80354 4967.86187 1666.511249 1938.013924 1827.053479 96.31467086 180.8378073 292.3450094 252.4823088 591.6807217 157.6032745 459.4308563 212.6476346 4.07813e-08 239.1735849 165.5237817 959.376469 1648.865428 2811.76968 431.3148043 2461.850104 414.5515017 1-Dehydro-9-fluoro-11-oxotestololactone 4.07813e-08 3283.213126 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 439.362093 647.9341215 924.6587397 6641.890077 7579.126292 3691.582068 7590.916798 6173.680826 3216.974914 1990.293272 2360.017729 8353.869876 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2629.711128 4.07813e-08 4227.539418 8079.598445 4999.195133 3853.315964 8508.628919 6086.159338 6501.882517 1288.133879 4033.617587 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3284.028775 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 298.2638469 437.9322939 9233.982255 4.07813e-08 5490.592184 4.07813e-08 4-Coumaroylputrescine 7363.515574 2540.668476 1381.764618 2061.77153 2897.68071 993.1675275 1069.719161 1216.635482 933.085311 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.8152798 1001.938306 2203.610007 1328.061219 694.6347141 854.1335152 1018.449812 789.7190002 315.6588499 735.3919483 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40.98541326 4.07813e-08 4.07813e-08 4.07813e-08 868.905272 1196.062325 1289.426221 1015.596448 1730.128739 1172.166887 1260.795934 363.6234138 785.108908 1532.89381 1507.525007 615.1201914 639.4666666 625.6500635 47.15754258 1077.356642 4.07813e-08 865.8960891 Tetrahydrodipicolinate 1429.146628 355.0229627 2568.861907 2244.941981 2252.86746 4499.56496 1670.130983 1901.30652 2844.856219 6.110329394 1.080269132 0.64450869 1.478251466 0.198403431 10.83863244 4.07813e-08 4.07813e-08 5.55586078 556.5072583 202.689147 1848.553669 88.30559464 2955.492946 1015.117133 1126.578711 83.27387898 889.7963389 9.151653468 4.161164868 4.07813e-08 0.472870257 8.578091436 3.842660839 0.04028177 4.07813e-08 1.518058149 14.6067297 158.8098043 978.6921243 1099.87553 509.6677663 605.6332145 2309.802518 4.07813e-08 17.56732391 5280.923015 319.0439754 2176.197706 1006.231129 1761.259128 6.840045067 2444.021515 4.07813e-08 1685.085547 H-9 1911.448531 1410.749776 1472.860829 975.6319933 763.4251657 1278.500575 1751.579845 2190.059689 1706.578256 1008.000124 640.1540509 489.2961198 762.0646424 693.6989408 752.5531222 146.7790394 1088.50913 851.3800301 3043.691418 3480.859583 2930.499346 3129.301109 2601.02222 2050.721542 2778.90817 1446.884593 2525.686773 928.2379376 649.2435979 668.8902034 739.3626243 1214.600393 494.1936063 1054.668177 302.1161441 684.5472887 2110.111255 2132.693598 1930.609182 2261.42853 3502.488852 2819.310478 1802.319909 1414.470254 3089.960141 1842.76525 1659.631078 2163.635965 2176.300383 1703.105424 1495.641344 2674.159209 626.4257156 2487.093971 (+/-)-Ethyl 3-acetoxy-2-methylbutyrate 1244.691498 1412.992162 1392.011293 1524.858682 1555.818123 1331.965848 1157.252336 1871.242423 1504.787082 1053.511533 753.743309 470.1926881 1074.812493 300.7341543 796.0329819 318.1638009 334.1587886 885.5127123 2323.827772 1975.751707 2062.207813 1981.734553 2490.340943 1847.195573 2454.756123 2223.551301 2139.258588 564.7465259 623.5152346 412.472169 446.7844209 606.7542578 382.9734022 808.0671483 270.0109522 357.5629106 1574.333452 1296.945266 1488.565947 1835.02455 1748.192685 2940.689881 1505.981741 2054.513794 2458.175035 1555.82141 1991.739556 1409.567746 1951.634056 2675.366294 769.2961876 1909.020364 748.3086131 1873.979734 Pyridoxal (Vitamin B6) 581.9845705 868.0702101 825.6783031 714.5898485 1041.849119 613.8549786 778.8702437 890.4942863 368.2619985 466.0886434 397.2591555 367.023252 452.8897218 91.93756451 100.3093743 24.03679024 289.6514759 211.5110963 1286.315047 1240.77068 1160.90907 1025.081813 1697.678159 1409.464206 1291.798589 1318.248254 1481.480943 180.9943166 235.915411 190.1196283 87.23508582 212.4331599 373.3499116 362.5501338 81.71072355 172.5041907 853.0555517 945.7693676 725.1833096 1063.624611 1253.89162 1580.2801 1132.683295 1290.236034 1455.537376 736.5630865 696.9226925 769.2718126 866.5995632 1025.953456 282.5560285 932.4624612 217.2141938 1118.006067 albendazole sulfoxide 4.07813e-08 4111.763145 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 345.2339266 1740.103713 262.7081827 22668.09094 8738.214795 9998.085965 16465.17381 13458.61996 17718.12585 5731.711261 4306.766566 11010.90402 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24511.14746 20664.23221 7298.291809 17478.11109 9180.833863 19269.21787 35069.61466 14396.29067 10635.46574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 418.7768963 2106.230196 12625.32033 4.07813e-08 8378.104776 134.1430022 Mipafox 810.1083672 1670.158669 819.5053169 1972.333699 1269.359187 1409.254764 1479.919116 3742.087347 1333.593725 357.6932525 4.07813e-08 62.43812737 112.2128749 4.07813e-08 113.4656625 4.07813e-08 4.07813e-08 81.75181832 224.4395104 94.09283487 976.9176588 4.07813e-08 1208.307796 682.0875684 751.8233659 64.77719563 1027.350534 225.9678878 4.07813e-08 4.07813e-08 4.07813e-08 63.80326745 4.07813e-08 66.41284544 102.487811 4.07813e-08 299.8584346 480.7161181 1351.620414 2297.521721 465.0734421 962.6693186 351.5889342 255.940453 69.44975605 4.07813e-08 368.7554303 491.6497906 1836.477774 3070.856212 4.07813e-08 415.6180761 265.8661763 4.07813e-08 monodeallyalmitrine 339.2041686 3152.004751 339.6569214 1060.227447 4.07813e-08 94.70180916 832.7062525 3831.838687 5610.00045 2115.870757 1708.433236 1102.710776 2022.820136 597.7171039 2244.378365 281.9924515 2782.025768 2362.920258 87.18080223 135.026981 507.3622644 126.4294048 521.8166842 134.1118309 138.1785238 346.6906602 212.0013222 1725.619289 2147.060178 908.443583 1529.515522 1776.563435 743.8595368 1578.457567 800.8628114 1244.780015 162.8417475 113.3280859 650.3576214 297.491258 79.14672837 58.01410184 138.2735841 226.3651906 4.07813e-08 4.07813e-08 333.7029905 556.1712307 1619.074276 4723.412629 968.5840447 451.0507425 1785.209382 101.2942981 4-Sulfobenzaldehyde 4.07813e-08 52.63149118 4.07813e-08 39.34972368 29.09431831 26.72869515 4.07813e-08 4.07813e-08 55.50176555 3941.086075 4408.210679 3496.096354 4694.998825 2905.973061 1746.846288 1152.969844 3559.237223 3275.509925 4.07813e-08 18.79942658 42.46764946 29.69634982 4.07813e-08 4.07813e-08 39.09818904 17.87046341 4.07813e-08 1874.888718 6592.20136 5973.550309 3634.658647 7207.104208 3744.946728 4330.115765 2809.13522 5032.437899 4.07813e-08 4.07813e-08 16.98449836 4.07813e-08 4.07813e-08 20.0269096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43.06221648 23.37121584 4.07813e-08 4534.096546 38.62143791 2100.76421 29.01373434 6-(4-ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 77.29383409 4.07813e-08 4.07813e-08 52.9919706 142.282432 4.07813e-08 117.1947874 88.08584106 62.50287581 3636.31786 5055.674857 3681.78826 3790.406591 3528.020594 2371.874415 1460.978473 4068.355292 6343.97575 33.42981033 167.5589158 4.07813e-08 4.07813e-08 159.6692847 142.0895295 76.64907593 2.280394136 138.1999898 2457.376044 3419.214542 3838.70962 2189.559184 3133.288473 3902.159947 4425.845172 2359.539814 2331.198205 191.5527246 35.3885449 4.07813e-08 66.61073985 4.07813e-08 293.6458108 70.41773521 4.07813e-08 4.07813e-08 90.05192631 4.07813e-08 78.9454243 280.0061928 21.8492667 3229.451482 57.63423824 3814.311085 76.59952032 Dihydro-3-coumaric acid 174.0644992 1338.89947 351.6991717 593.3882467 626.3550287 482.8323052 913.2334867 376.1327451 182.2388414 9338.811315 4706.508407 2958.958356 9202.383915 2287.300043 1845.550349 1940.313426 1473.056334 3670.5174 331.1477453 549.8366388 217.5895614 330.931702 797.4543351 508.5248486 587.1070671 707.9478001 373.6608657 2205.159594 2939.748022 2711.110979 2546.747032 3946.234409 2733.766605 1506.251803 2755.516113 2475.214577 729.8171602 332.2155436 273.9197238 609.5045006 228.6386552 333.5185101 551.2580327 440.0630847 76.40832902 615.1074451 659.3329829 780.770897 659.4599559 660.2367838 2775.609243 548.3325013 1511.577158 945.7196539 Musk ambrette 5150.358291 6183.662579 5360.932608 7152.233831 10012.204 4860.46721 10615.91561 9538.880099 9829.130316 1696.806699 1768.926185 2487.250448 2119.399078 1851.043923 1699.844308 1315.950972 1318.040238 1740.282485 1298.868208 2330.292719 1859.772059 1853.43165 1880.862109 2235.157083 1538.411765 657.5888105 3220.04239 1581.062936 1489.255973 1802.413537 1203.34223 1937.659683 2089.768709 1878.572821 1243.995076 1842.897596 3834.404559 1675.058795 1728.112537 2051.37908 2179.894618 1736.050202 1919.103641 1706.787993 1812.870194 2493.477073 2874.537679 2377.587373 2686.43361 5040.798884 2055.910832 3033.697447 1981.48068 3704.476688 Mahaleboside 4.07813e-08 144.9858787 4.07813e-08 9.945763268 82.26919412 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10332.54776 8415.911325 5851.011191 9548.857675 4089.484142 6898.717077 4022.341848 8072.424341 9527.023859 118.9972666 61.94380601 56.77927811 82.66183766 19.08552173 93.55365094 20.04328511 0.000767054 49.14917787 14539.92094 10104.47033 10060.9484 7905.778999 11895.05329 9319.478925 12338.8032 7307.615411 11771.58941 43.48265361 4.07813e-08 12.84995579 4.07813e-08 45.59259268 4.07813e-08 11.47950608 42.19461748 4.07813e-08 4.07813e-08 4.07813e-08 40.33663255 1.896547066 148.9466302 12560.60675 4.07813e-08 10553.91073 28.30499165 thio-m-Toluthioamide 809.2496661 661.4356854 552.6277644 597.1079066 889.6290031 803.8912826 806.2905123 273.4105987 611.6401367 314.882404 312.0985359 279.3328889 658.9790269 205.5361783 176.3665669 103.0597981 198.7499225 439.7781704 1298.279414 1555.006419 1158.847305 1375.892377 1705.36757 1312.534762 1095.215527 1801.999586 2189.819065 349.9276448 239.4016574 191.7624625 349.5984462 537.6978301 289.9405707 467.173068 284.7294376 308.6012762 1070.136788 1119.058279 847.823769 969.1513772 1239.387434 1243.800292 1357.648384 1843.549441 2430.27372 1299.852957 1083.209289 915.8419017 642.8689585 917.2650436 599.7755454 1050.887608 123.9198968 1207.140252 3-Isopropenylpentanedioic acid 957.6105155 353.1344428 1611.962517 2006.868993 826.6860584 9469.125776 2298.092165 2681.104086 1541.793639 117.7696835 50.71106614 115.8263218 81.46108093 79.53856013 28.49312817 165.1849868 33.54704918 144.4505318 4069.681802 3563.739827 2329.416235 634.8284366 770.9623336 6597.347004 1446.372421 5257.476833 4094.195965 246.16751 216.4084158 4.07813e-08 83.17385079 266.8092957 107.7176401 580.0981165 4.07813e-08 206.9061238 615.164373 2096.334357 3385.834252 1609.645302 5128.08234 718.463766 4998.28978 9236.132101 2756.718855 26640.91364 2069.520151 4830.53002 1797.954659 1234.016377 148.6913737 4433.548995 120.6033132 5909.413628 Ethyl 2-furanpropionate 3936.383909 3434.20369 4519.00832 3870.975453 4952.480599 3461.527114 4051.711358 3437.008729 3457.700399 1146.160897 1260.981166 1242.903472 1314.489121 1329.488646 1214.877391 1109.126606 800.8509983 1559.415252 7740.970227 6288.206411 7303.781025 6527.616013 6742.816095 6581.955031 6407.962949 8307.94024 8085.545457 1461.731112 1390.300959 1397.163969 1430.383781 1632.478102 1125.091853 1572.68524 1131.632793 1923.947441 5760.853233 5722.664031 6163.511871 5522.082106 6466.663657 6987.96745 6074.417829 9226.818861 8396.957723 6380.741116 4566.850699 5738.621865 5636.336715 5342.125605 1414.350713 6213.496344 1421.434219 5103.236041 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 19152.28509 16564.74852 17115.26936 19280.58792 23339.37451 17316.78791 20375.99546 15457.56596 17689.88267 7627.571549 4971.629133 4730.825884 7027.592866 3595.687831 5919.192543 1008.907476 1926.565869 6123.638249 38768.54573 39176.31201 41721.04936 33900.35755 45028.64472 37957.75509 37050.85593 25608.16633 32825.37001 4304.874806 5593.753615 5640.313372 4092.884559 6987.263029 5353.348 5735.738606 1582.647788 6910.666271 21107.43637 27263.93092 29081.71115 33960.85283 39413.06654 43689.51224 31048.92893 24685.90501 35374.20006 40801.06405 29316.47154 32466.35211 28287.12223 29250.47845 6595.483111 31635.98904 6366.574619 24895.92895 butamben 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49.56224714 4.07813e-08 4.07813e-08 4.07813e-08 762.4008778 1769.569223 974.998023 900.6565731 1203.374907 1192.395024 650.9184735 892.6076476 1105.131257 107.8369384 34.30833277 36.1472603 35.56897576 247.1052936 174.2063213 94.66850661 4.07813e-08 123.8015261 1171.243355 2465.683417 1176.154231 945.9447942 2319.887183 1325.255694 685.2549203 1351.425355 1628.57361 40.04095268 45.77081462 33.38831903 57.94221063 87.62914685 76.12952666 93.78358351 212.5111263 80.31716596 4.07813e-08 153.3071878 32.44499716 4.07813e-08 104.0385349 2467.741017 37.27344009 1215.244159 167.1108302 5'-Butyrylphosphoinosine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1930.789122 4.07813e-08 4.07813e-08 141.9484749 803.3631993 2264.497866 11505.42196 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4894.632656 4.07813e-08 5382.536054 642.4041509 8224.241221 11517.99705 924.7389542 2914.169606 1334.479496 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1139.959007 4.07813e-08 2777.229861 4.07813e-08 Caffeic acid 3-O-glucuronide 4.07813e-08 4.07813e-08 4.07813e-08 33.78964087 4.07813e-08 79.02005263 6.878083725 4.07813e-08 4.07813e-08 6432.157291 3731.642568 167.718831 5550.168481 4.07813e-08 1750.542544 4.07813e-08 1773.680376 1846.973986 4.07813e-08 47.06747796 4.07813e-08 4.07813e-08 111.159401 74.81787405 4.07813e-08 4.07813e-08 74.61960285 5656.722934 3913.114555 4.07813e-08 4953.885913 4371.37112 121.263025 7402.15725 212.2856641 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 61.4833694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6418.216163 4.07813e-08 5500.75318 4.07813e-08 N-Fluorenylacetamide 13689.13493 18489.40128 11489.84854 9797.856852 4497.178804 17638.42921 10680.01268 28540.87754 71708.47171 4131.451647 5768.717336 4013.509452 4663.968104 1874.107631 9586.039293 1733.86704 3820.289316 4466.201809 2924.667149 2260.992159 7565.022256 3723.583973 6086.254488 4570.966171 4922.885844 4566.034741 4691.639562 4213.443188 1917.453455 5158.698388 2180.422822 10913.30084 3855.726781 7110.076607 1793.411 5690.080488 8010.707995 2096.394352 5381.924416 5955.164534 4201.397475 3890.234862 3724.056866 5237.898789 5450.271479 3217.14846 7955.018015 5717.112441 19611.91061 21493.1452 50360.76754 6632.212968 12360.26412 5805.963848 PD 169316 4.07813e-08 637.2137989 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2491.273649 4.07813e-08 74933.27117 32832.18347 35865.80243 60307.70979 59835.18085 79410.26305 34759.75675 37328.74806 42373.68293 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98162.80171 79640.90552 39193.52687 86086.95018 73761.28813 84035.23187 110644.1016 61182.08582 44571.05346 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 79011.77576 4.07813e-08 34266.28152 1365.128701 {[1-(4-methoxyphenyl)pentan-3-yl]oxy}sulfonic acid 2286.531108 1921.8576 1676.829926 2216.635832 2838.192692 2127.018256 3153.218681 2784.548994 1868.136197 2360.128509 2050.5335 1252.319113 2773.045895 573.3132259 1939.284841 183.3603758 251.2153494 1321.686102 8209.907347 7538.116212 6598.681571 5654.909503 7709.551004 4937.72534 6765.807194 5017.989811 5054.277837 1482.569877 3504.970859 1906.430095 2188.651569 4053.119715 1215.49831 3153.241307 625.5190113 1170.132842 5107.534564 5310.456848 4936.009154 4998.711382 7379.819978 8369.516306 4051.562604 4925.718538 9055.980286 5030.2272 4947.374592 5148.964577 5520.609426 4745.993814 4565.226346 5245.014419 1860.958132 5296.277535 N,N-diethyl-3-hydroxybut-2-enamide 134.8756151 268.6103725 444.7643776 236.5249717 408.8393946 510.6561233 588.0147604 1821.335252 1208.121015 3621.467246 6890.536882 6157.699397 2672.695339 4790.319915 5911.070942 7010.805036 11835.88087 2739.312211 851.6426861 364.374725 382.3166524 119.6445287 85.5112124 604.4430533 384.626374 1748.842654 1393.391871 8758.598334 6090.478203 10693.82177 5975.177813 9971.151635 2540.98789 5750.666674 8920.054034 7786.495093 289.4758083 157.8572695 564.4303251 563.6764859 475.0867353 301.1448304 686.3887085 1802.771801 548.4987554 406.6314332 687.0935275 1277.215533 831.6990264 1147.571845 7506.642836 1449.563976 8052.121938 1788.704263 Saxagliptin 6571.63509 8938.475837 8142.892093 13716.24714 4385.368082 7864.983317 8667.191151 11767.87641 12090.68755 2125.59357 2223.454479 4720.00457 2186.9527 3370.094605 514.7024993 1527.203936 1280.38316 2125.009265 2232.993857 5038.246601 4250.091328 3187.849459 1043.147383 4972.476597 2051.038233 2382.544444 3368.018308 2175.36267 1851.380715 2974.845454 1405.940929 2053.308707 1513.060162 1106.467823 2251.59854 1821.377836 3378.662812 7271.924737 6582.05781 5226.701142 5890.797748 1180.484559 4802.272465 1970.789962 3895.418041 4536.092578 5546.143893 5412.983754 5841.521373 6429.103263 1042.005882 3799.708219 599.4675609 4222.045109 AMIPRILOSE 2377.000012 2265.80985 3519.595319 3061.340276 2561.482853 997.6578502 851.833003 3013.974082 7066.282076 372.5509053 425.212884 124.433486 390.5970683 92.03810199 76.14783099 4.07813e-08 67.13997796 308.8611383 1570.545017 2513.158418 4642.029777 3005.701104 683.4190403 568.9220235 14925.07671 24212.16139 6519.972165 104.7223507 145.4103134 4.07813e-08 159.4488444 284.0122124 100.8310664 298.9029577 4.07813e-08 143.6376163 3990.669013 4727.939592 6163.888536 4135.248943 2174.089088 1451.021621 620.8360003 20116.16119 23653.19684 423.3426854 571.0038391 1015.86657 2534.511985 3001.536757 343.7247415 1533.414764 65.05135344 1365.282904 3-Hydroxy-carbofuran 250.8999371 209.8627952 4.07813e-08 317.6971514 277.4043403 76.38540412 213.2883686 245.8025106 230.9856637 2460.380493 1235.71893 2113.882385 2544.540645 1111.407453 1257.759385 1898.802873 1152.900255 2622.015932 185.3004138 166.5106793 202.4087115 444.6292462 182.3966114 241.5640291 168.9568869 415.6853501 212.5612773 2402.540984 1694.287656 1459.342655 1152.895539 1170.445452 932.7793981 1782.860163 2918.164821 1902.149148 308.1229966 182.9275863 249.1593059 351.6301277 454.85585149999997 367.18715 257.862447 530.6662246 367.7060552 408.9816128 234.5224188 356.9808786 289.3356225 725.4662687 646.2537474 481.4061301 913.0309315 320.6691915 1,7-Dihydroxytacrine 1444.635469 1230.965958 525.6550538 227.0318384 161.2227765 245.6342112 472.3663537 873.6998623 832.4315022 3866.807444 5578.2546 894.0310612 3808.61562 2647.833101 1689.537505 3026.280909 796.8718598 5320.907871 368.5446133 361.4238567 393.2956997 547.3027597 31.13220579 405.5701137 507.6068106 476.4925918 383.6223278 1971.529446 2060.709153 6763.682799 1399.419845 1871.832548 2224.96758 6184.557684 1364.504071 2059.654291 973.7348217 219.7040626 431.1068954 124.0439793 211.8842568 309.7344942 272.3489667 277.9094685 872.0098734 230.4320123 936.779676 568.4974751 509.330132 1346.839825 2162.896783 172.290039 2470.060692 3.585509289 Lophirone D 3082.658588 3192.982099 1118.94255 1012.094156 696.5836545 1125.20491 2878.211545 1818.615107 2828.094383 392161.9317 260570.8061 283572.5158 315872.1922 411589.1266 317632.138 405220.5321 818091.5026 208842.0204 4.07813e-08 119.8869139 4.07813e-08 119.4685506 4.07813e-08 92.24395495 4.07813e-08 4.07813e-08 4.07813e-08 380252.3964 226199.3544 252827.9418 220064.0133 339837.7531 204129.4135 284449.2431 439863.4076 369817.0711 559.8633826 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.73004558 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1849.286494 242.6270274 992.1143166 594.5793358 228486.8757 1311.421363 88706.90704 2658.930801 BAY-11-7082 2344.297967 1896.793883 2351.380573 2685.198017 3117.263634 2413.731395 1833.510436 3314.125452 3086.736801 262.6561061 248.1422012 259.2297951 213.2396364 214.1209066 108.3460826 495.7493926 4.07813e-08 267.5554395 2160.525762 2514.900186 2226.336664 2750.222416 2804.224064 2938.902985 2092.403315 2882.511819 2738.476874 137.1137131 167.6372979 255.0502007 189.0806374 24.52650027 9.633246259 213.560256 422.0967853 358.3890724 1859.580481 1842.357971 2165.281001 2134.467493 2633.623796 2479.482373 2863.730086 2724.103652 3836.529063 2016.781115 1684.616017 2031.142725 1456.483809 1763.625171 140.6687739 1724.539969 168.2194063 2910.423691 CYPMPO 399.1526184 1784.312766 4.07813e-08 4.07813e-08 4.07813e-08 363.5435471 52.87570237 55.00569328 230.4668354 2037.087042 1617.0515 4965.685038 1890.445971 552.2666897 3617.908203 1738.073539 12485.62961 4.07813e-08 4.07813e-08 4.07813e-08 0.01675404 48.88824054 117.79698 54.08794019 4.07813e-08 4.07813e-08 4.07813e-08 1796.11082 1669.64061 9816.532434 1757.792224 680.5119716 5548.256131 5639.988331 7195.756311 50.21913035 45.42018632 200.3102366 4.07813e-08 41.34082856 4.07813e-08 1.106551487 4.07813e-08 4.07813e-08 4.07813e-08 491.6132639 335.6377114 607.6129484 371.5336182 410.2247127 11043.54073 252.3222648 7922.436154 4.07813e-08 (S)-Methylbutanethioic acid 4.07813e-08 673.6193682 847.6629236 859.1310612 607.3842803 217.1619759 1422.016952 4504.636448 4321.285658 1746.040364 6520.347277 1504.922299 2425.787414 69.04996815 622.9451611 709.3910769 389.7121046 373.2723442 4.07813e-08 4.07813e-08 590.1422801 1111.296777 1602.411086 4.07813e-08 156.7224562 592.6244073 4.07813e-08 901.9762225 2210.01514 1044.870419 4.07813e-08 129.5628596 230.165472 4838.721578 4.07813e-08 258.1034914 54.63925129 4.07813e-08 785.0042244 4.07813e-08 612.9473438 560.3174453 4.07813e-08 470.1297694 79.67878989 176.3417438 5315.247484 660.4459097 555.6809376 1587.515685 11419.87154 772.4875299 3528.493801 120.3907691 5-Hydroxypyrazinoic acid 1653.770855 1515.038892 1248.4264 1528.823479 742.0126999 442.1308131 2160.420138 1095.361338 281.8351423 4.07813e-08 105.4473714 99.42737843 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 371.9968021 81.90761104 888.0634754 4731.822777 4.07813e-08 4.07813e-08 1856.88574 4328.729479 384.8842695 4.07813e-08 4.07813e-08 0.064947091 84.3240244 109.0339482 101.5829157 4.07813e-08 4.07813e-08 4.07813e-08 6598.270008 573.1817941 2320.014507 4.07813e-08 2067.718448 1092.090706 4.07813e-08 3257.92556 4248.298435 4.07813e-08 4.07813e-08 414.0326054 1177.296274 1947.270506 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3-Oxotetradecanoic acid 4062.893075 2799.195908 2823.77778 10035.47567 7641.865388 5383.765707 3523.747291 3954.645563 3543.547548 4.07813e-08 78.46640073 123.7309682 4.07813e-08 4.07813e-08 50.35154117 4.07813e-08 4.07813e-08 4.07813e-08 8611.066456 6424.672695 7569.964587 11811.65824 14861.12933 9614.751434 9634.798254 7035.838776 9084.567953 4.07813e-08 4.07813e-08 86.85768078 209.6736161 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 100.2718611 5943.925622 4948.574597 2926.882969 13032.17083 15966.78484 11411.69215 9996.691092 7623.645504 10723.1665 8691.234475 5422.404823 6541.113333 5045.347701 4990.187885 4.07813e-08 4917.699451 4.07813e-08 5817.77737 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone 6765.388638 10618.76944 11697.80887 17566.93778 17942.67625 10401.64684 16147.3495 12563.98357 8334.979757 570.7144225 653.1041229 619.4621566 408.1660482 227.8122565 298.14433 477.0495924 123.4606175 317.1992243 1974.773716 1664.059631 3513.294506 4368.466146 2288.092912 3630.192417 5418.363449 2216.658235 4064.494441 99.23533403 150.1829274 808.4798163 147.076971 709.0520092 634.660191 566.9799037 362.1383135 718.9447716 29308.63185 3738.910375 4736.126737 2808.429832 2419.740169 3633.074383 4286.040303 3862.839648 9450.923678 1718.615422 1293.009053 3253.530276 5666.034468 9863.30504 389.8386461 4407.838593 906.1905948 4046.079876 2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C 4.07813e-08 1356.203349 483.4556816 4.07813e-08 4.07813e-08 4.07813e-08 275.3231614 5413.536249 1505.367972 82169.47382 370885.4362 148568.9061 48832.59818 319748.2618 78989.38929 231118.143 73046.88116 348439.6891 4.07813e-08 189.68712 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26305.59812 133942.8964 240102.3651 50000.73808 209965.8877 76787.00081 31050.95438 61258.53609 118029.161 243.1324107 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 265.2901473 4.07813e-08 832.4923649 220.1546666 3053.42589 4725.70822 84758.45738 4777.41146 232555.6451 16005.2307 PGH2 4.07813e-08 627.222298 533.3670968 391.4573776 224.636856 4.07813e-08 139.8195381 602.4382106 627.9242006 3.677971747 4.07813e-08 4.07813e-08 123.3990736 106.8826062 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1494.523668 1755.318122 4687.424853 1018.460164 1276.080121 1479.926539 1509.485306 791.6135689 471.975514 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5520.508962 4.07813e-08 551.2556602 347.8530026 280.8119645 1741.653599 1368.52007 1880.753324 1752.716378 756.6945524 1613.352041 207.7176815 342.6409984 761.9851444 299.2392502 340.0625439 4.07813e-08 99.33223924 4.07813e-08 392.9766801 Gonyautoxin V 767.1373978 248.0030165 909.8924301 917.3983742 268.7914813 2167.482486 1566.450398 353.7218161 642.7999804 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 309.8233059 793.8018478 507.7848558 4.07813e-08 2302.323345 3483.226457 2224.651771 2218.754622 1651.476222 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 250.3838703 801.8190911 458.637404 2407.204646 328.9595191 1520.068913 4026.978178 2786.280292 4.07813e-08 1271.679281 1237.4402 1525.193563 4.07813e-08 797.3888227 4.07813e-08 708.9130958 4.07813e-08 1547.673407 UK-121,265 7662.264733 4360.546499 6808.162065 9502.558194 14562.57684 10308.78789 8853.251297 8111.656732 5582.683063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 163.2087014 4.07813e-08 27728.80341 25725.57919 13388.02375 9276.56859 35376.05247 30251.11526 22635.33876 14217.33712 17774.14228 4.07813e-08 4.07813e-08 310.2725461 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115.7797658 4.07813e-08 6349.341192 5968.564295 7152.130032 22126.83837 21098.68533 25334.04126 27544.02705 14719.71757 19113.92101 9543.1357 13254.77805 11078.73458 12186.33366 8661.126512 4.07813e-08 14847.96078 4.07813e-08 16261.68114 1,2-Dihydroxytacrine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.286348898 11.83226368 4.07813e-08 2.462866722 680.7866999 376.4944872 508.1572255 795.7595519 4.07813e-08 359.3015774 1764.528756 875.4236863 512.2964711 3.439719674 2.090643558 2.325303423 1.460982961 15.59403751 5.325703574 68.1593282 2125.770392 5.313468712 4319.882884 941.3061352 811.3756663 2192.586451 896.1729455 10540.28495 912.5697844 1602.193893 718.1914462 631.1726642 3.522253745 3.152030264 7.537743341 3.587087929 4.914916574 8.878296307 1812.332499 0.795591756 3.56182485 2.346653283 9.966705882 0.473422219 346.8717643 746.8395921 4.07813e-08 522.4930864 4.07813e-08 (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol 31912.18195 24247.51714 28077.49368 22873.07494 30843.17122 28800.45328 32198.59751 29859.15195 30479.27872 10058.28233 8909.019586 5904.50685 10950.14272 4699.977904 10943.22583 2795.741571 3344.299834 8394.559479 60189.99423 57650.20389 52130.50212 49896.49868 63127.19846 59010.00198 52533.50154 61126.77852 61974.61573 6443.490027 9597.304627 5387.090329 6554.531117 9201.147215 7624.598726 8558.358487 3439.259924 4214.081737 33957.41222 51555.68314 38809.45948 48071.64472 59906.1753 60175.02731 56902.92505 57625.23684 83819.92651 45563.11309 35694.05415 41680.57853 32365.51163 30319.20346 13295.4289 36639.18454 7576.621716 42320.26458 2-Phenylethyl propanoate 5739.033988 2665.730985 4713.521472 6052.625537 7858.848689 6201.206513 3639.959988 7597.2581 5072.12664 336.2165807 151.2765918 223.6476561 4.07813e-08 4.07813e-08 131.2249028 56.15008882 4.07813e-08 4.07813e-08 7303.204999 10802.66415 6509.517819 6926.854646 7511.703417 10642.61139 3811.663973 11091.71271 12501.60326 109.844567 78.85029214 4.07813e-08 410.1221966 4.07813e-08 4.07813e-08 417.6463963 269.7182746 118.3314874 4669.025412 6884.340178 5440.993407 7131.354979 8268.956715 8018.943381 9937.576236 10773.09925 9894.215671 8864.775223 5128.404611 4605.248922 5377.046801 6223.43885 233.0652126 5407.615565 68.66972434 8315.190225 12-Oxo-c-LTB3 282.2828675 4.07813e-08 886.1191039 312.8951372 1712.229129 383.9617613 4.07813e-08 883.7317433 4.07813e-08 11054.23448 3735.11384 15473.25816 5528.123036 9939.442835 7570.217478 3495.357147 14545.80241 14135.83779 1991.250738 3495.343911 4.07813e-08 4.07813e-08 4.07813e-08 977.9207379 246.1038466 4.07813e-08 4.07813e-08 1235.667877 14130.51324 9111.321766 1749.199786 25558.44816 8162.364104 1229.142014 5930.833291 9503.994347 4.07813e-08 235.9350542 4.07813e-08 212.4386683 1279.517369 4.07813e-08 549.848617 4.07813e-08 4.07813e-08 7499.260258 4.07813e-08 244.5511813 4.07813e-08 4.07813e-08 29066.97585 592.954815 20625.38887 2271.423377 {[1-hydroxy-2-(phenylmethylidene)heptan-3-yl]oxy}sulfonic acid 3126.360752 3690.606812 5244.488092 6955.584497 8938.773446 6103.37137 7063.715905 2163.766231 3322.983424 1805.170489 4.07813e-08 1799.818096 2487.630497 2449.544997 2237.101913 787.3570592 1570.127102 209.5328541 14507.54077 12394.72811 12207.07436 13587.51551 12955.25623 12035.32564 11929.19103 4586.947108 5579.881574 2125.989442 398.5058674 649.2911131 496.7834176 657.3425643 915.663773 1457.332247 1224.853946 3901.354256 9346.257499 8671.77846 7611.365576 12660.67205 15753.87943 15882.01198 9486.54279 3726.549789 20787.09385 15579.96451 7208.506065 9745.166419 11343.07523 7045.258868 11268.9874 11121.17252 1389.89817 8867.354278 10,11-Epoxy-7Z-hexadecenoic acid 2537.322599 2588.556037 2782.31423 31073.44857 7672.414897 6030.746593 6176.330694 1541.534754 3529.423029 4.07813e-08 83.0313024 182.946624 82.68721401 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 432.3330727 5696.341091 4351.921692 3341.584046 24683.28397 9276.51044 12053.37714 8323.727141 526.52245 3559.922739 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3805.617893 3195.094681 2390.503089 11967.11698 24310.73801 9217.867129 10629.90774 430.1800053 2538.461296 5804.047145 3837.171696 7969.705417 5454.25336 1427.545342 4.07813e-08 5116.586098 184.7004659 1737.095227 Asclepin 20362.58593 9173.244872 11586.10132 5570.77065 6505.92221 15579.30912 15718.88727 34030.69583 25210.06641 21491.64847 16728.06817 43364.0232 14611.87585 21500.29254 22313.99489 11911.9499 3310.874158 50989.96209 61789.08244 56119.69668 49022.76362 41912.34898 66185.49294 54352.96979 49930.41574 47433.56869 55269.11726 4.07813e-08 37185.0062 33313.28072 13705.09592 53078.40402 16130.52156 1796.499111 7796.471472 35182.08142 28289.66715 49118.04575 41443.34817 55557.58543 56773.64533 69748.33331 53368.39651 47868.54181 63435.27516 39433.3338 29839.00351 42562.11117 29236.06223 27555.70392 20480.9173 38770.75639 49583.90081 38727.05117 7alpha-Hydroxytestosterone 4383.534899 2502.212961 7156.039743 8260.536981 12899.99728 4684.966119 6324.780282 11878.25605 14603.41698 197.7277323 4.07813e-08 4.07813e-08 127.6870935 142.9758855 171.2281388 4.07813e-08 4.07813e-08 452.1450371 11967.69922 7635.476541 18123.37912 15817.83601 13202.0415 11537.59663 13376.72983 9239.069566 7094.91605 4.07813e-08 128.2509845 4.07813e-08 121.8423137 4.07813e-08 4.07813e-08 240.600402 4.07813e-08 134.9622962 8375.383918 4735.709932 7999.014748 8345.218453 15543.97784 12205.93202 12600.86588 8046.055309 11654.06835 10185.97275 9663.027971 7975.577924 4468.568493 5448.34511 754.2061936 6890.830931 4.07813e-08 5871.18798 DEOXYSAPPANONE B TRIMETHYL ETHER 336.4475569 6979.871144 956.0452675 4833.79096 2477.333827 1827.466453 5227.46268 4900.36417 2072.504402 4700.984416 3593.752349 12603.66666 6139.259933 17509.16574 5758.060117 10403.29266 4.07813e-08 9986.228656 238.1403397 412.886025 214.7784568 240.0576363 405.635992 4.07813e-08 481.2444368 224.7362 413.1629325 4.07813e-08 6522.538901 17820.01187 11355.40693 13413.01243 13981.34175 4371.961939 4.07813e-08 21440.56264 1072.922296 632.0260847 211.5884577 270.8331018 254.4318782 225.8760035 219.5677201 392.4949358 1064.829132 282.0914189 793.0408115 1094.202384 3029.253123 3856.723451 12481.84171 2806.572591 4770.64994 3555.487746 Linalyl isobutyrate 7936.01431 3754.75749 9098.272282 10972.94728 8899.418086 13508.6142 7318.774304 9832.710237 10804.67442 4.07813e-08 112.1338539 4.07813e-08 209.5764428 83.55979332 76.18619199 478.5179671 4.07813e-08 745.6759326 13432.2784 11671.87253 15679.79948 18645.60595 8741.092506 16738.49986 10009.63906 3778.407316 7289.268562 4.07813e-08 4.07813e-08 916.1833005 540.0678741 1220.184156 226.1380091 4.07813e-08 148.7148535 3583.971328 10130.11612 8253.559362 9792.11522 7949.532552 9222.725332 11526.51556 14614.45192 5131.77922 5986.835816 8227.250596 11483.06764 10817.96838 8607.725797 6404.943836 728.0508758 8445.504778 405.3061733 11312.1197 Vanillactic 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 6252.247268 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13342.05778 13568.3638 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10660.00315 4.07813e-08 4264.662775 4.07813e-08 9982.804168 7566.983183 4.07813e-08 6992.98061 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 87.93982444 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3646.210601 4.07813e-08 5'-Hydroxystreptomycin 4.07813e-08 690.6394993 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 269.3645542 6878.415291 2853.222315 35334.51027 8472.611495 144692.3949 56575.962 35259.51565 47521.54394 39147.642 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10125.64239 6801.719555 484.6911967 20995.4665 10037.90196 1300.557386 4940.597725 17678.71727 3329.09265 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4181.465832 4.07813e-08 9119.471551 231.3310838 60259.36558 657.0691643 10660.96573 692.3866224 Coroglaucigenin-3-o-alpha-L-rhamnopyranoside 1116.023062 3470.887053 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 618.4825327 543.4999338 1570.139366 236.4033134 2334.615018 1321.776792 938.2228442 2480.081347 4241.179991 34958.51483 72606.06424 15599.20284 4.07813e-08 661.2532567 4.07813e-08 49.22590211 4.07813e-08 184.829952 4.07813e-08 4.07813e-08 4.07813e-08 5224.090131 204.518312 1470.032042 226.2752161 18106.46456 1862.475106 4.07813e-08 17490.14309 966.2038446 4.07813e-08 412.20533 4.07813e-08 4.07813e-08 63.10111357 175.4298795 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 61.55285398 4.07813e-08 4.07813e-08 4.07813e-08 218.5225737 4.07813e-08 180.632488 770.9845157 Tauroursodeoxycholic acid 1511.508739 2621.080155 409.5634117 100.1832436 433.6299578 317.16157 327.1587849 333.6189784 317.6777545 13490.2352 32640.23067 67686.36696 13902.6846 121586.7773 112259.4446 31942.76846 396008.184 16992.64001 561.7694869 147.7057431 423.1354994 540.8634429 193.4631175 52.03021036 392.0894902 407.8630582 57.81230435 157994.8471 26690.33715 3802.068956 26007.94335 11684.55152 19519.57232 16700.92783 98997.17189 4807.233154 296.190714 76.57007216 352.1978799 1179.776584 703.6086544 555.4309635 76.94950643 187.2508066 61.93767663 1108.925405 1167.759915 2164.180707 1359.10917 530.262587 29803.98692 1067.586062 7212.792175 2890.036667 Tropisetron 4.07813e-08 1088.711922 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 168.6354694 803.5535835 1444.422077 55.57755189 415.6277885 1877.675973 666.6074805 572.8407266 2000.99471 152.3015778 1908.483867 3657.162283 2701.383254 2599.218314 607.7864195 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2346.050954 4.07813e-08 4.07813e-08 289.5338563 264.3812765 844.3342066 4.07813e-08 4293.240585 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 728.8353884 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22199.25663 894.1960523 2180.122458 468.8495692 39308.58777 705.380357 23383.82553 301.7380215 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne 1883.320542 4668.481769 3918.136741 1113.766072 660.2598574 9957.715764 5721.620888 4109.790911 942.9286381 20527.79909 93619.88667 53333.58887 14134.8875 87345.62538 72622.58078 166086.7479 102094.6901 28109.18786 207.5295611 213.8270759 514.7085948 2037.346328 970.2636802 1166.764325 881.7696343 4240.91909 2060.030596 116892.1171 33798.29687 38207.02679 35718.14735 55877.49081 96114.42197 36795.83371 143090.2894 30699.83492 1299.829693 4.07813e-08 1900.32301 531.3285823 527.3261872 959.9628654 752.7690418 4692.521038 1184.647883 541.6124587 2397.630267 1309.858069 3820.435419 1083.354294 32946.18807 1275.585343 26391.79183 6026.54857 Hexyl 2-furoate 11573.22203 7517.416524 6541.812173 5326.266438 5906.690868 9455.829789 10951.04665 6876.514442 6494.313824 2481.39709 1800.883607 798.0232214 1918.142234 4.07813e-08 1005.495965 149.4804096 1637.618557 796.8265418 16989.38311 17951.73583 12949.31321 17189.54602 17437.78092 18096.90108 16176.20821 17392.87724 17017.44859 904.7630608 916.3288279 812.6909585 502.5275727 1451.911978 333.6591347 1595.12937 1230.482289 150.72387 10392.05961 17917.49984 13714.1402 14205.3439 19526.7586 16628.30949 17647.16837 16020.09292 20849.38368 12837.81548 11943.58636 14293.94706 8820.685148 7728.49238 1976.687275 11353.03585 2660.017 9436.986888 2-ETHOXYCARBONYL-5,7-DIHYDROXY-8,3',4',5'-TETRAMETHOXYISOFLAVONE 27326.57338 24934.45677 25825.06196 27612.38111 24975.10666 26188.56503 26505.87314 24070.73 27155.63721 22196.05853 19797.45033 22024.63657 20764.7291 21456.35618 18625.19773 27611.95378 18034.98815 22912.5774 18855.17871 17970.9699 18074.27853 19803.34857 18765.67569 17490.60715 18000.78696 21298.91867 20501.80215 18025.93911 20650.80459 20081.56891 26310.38546 18845.10775 20590.1143 18175.57672 22038.24618 26605.58828 20382.60744 21853.4753 20005.1931 17033.52983 17469.12287 17333.61692 19610.08212 21335.12241 22151.61831 23240.66901 19900.48615 19683.86849 18884.82451 19685.62292 15528.66993 18898.99643 23213.5731 26236.35133 azosemide 8257.669758 6752.56436 9858.79249 9734.174974 10353.04078 6616.611747 8645.955879 8967.791 8228.328627 5336.033828 4968.817206 5275.426957 7953.444378 6943.323394 3306.685596 8245.047345 2376.345466 7221.719668 4887.32858 6207.784174 4524.387883 4797.460225 5390.091759 5279.157368 5911.637659 6515.427436 7353.452922 5537.719883 6490.280474 6348.04862 9071.967853 6821.798118 6338.082885 5339.481948 5740.174796 7299.077561 7108.941558 5422.052252 5257.312335 5446.98501 4135.157216 4498.653514 6274.687347 5528.440724 5187.843675 6770.616273 7467.502597 4986.264819 6932.833664 5993.373822 4396.81408 6009.403192 5551.947535 7629.348054 3-Methyl-1-phenyl-1-butanone 27642.91593 25379.28223 29025.30249 26148.41775 27136.54631 25853.42205 25590.91487 25757.93884 25031.46395 20621.37065 19773.41629 20419.54059 19869.98542 23118.67926 18290.02071 24233.40164 13581.74705 22348.45233 18304.77356 19592.98424 18664.21615 19886.95914 18866.94222 17707.33458 19379.62485 22156.80131 19335.03341 17409.53556 23215.5226 19988.00378 26499.92207 19254.68852 20739.95784 19604.56039 19140.61821 26125.07575 22725.30388 19768.41174 20419.1603 17861.06401 17734.59773 18766.31634 20839.08926 22015.77863 22184.09138 24444.05868 21132.9089 20304.615 22677.66961 21371.60599 17478.71942 20768.44866 21640.89058 26455.90293 4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol 17307.0436 10302.56005 10015.34246 10956.85713 6475.794577 15744.00777 13791.21436 8078.087871 7006.185035 6124.671996 4422.88368 1138.871955 5860.516089 1977.128473 1050.605169 4.07813e-08 896.7166207 151.0025283 21267.43483 24672.84427 17611.43985 21497.96415 24513.1622 23842.44738 17533.53525 20490.96226 16348.88495 234.2002154 2532.557473 6.977626294 6.255729896 1939.104643 645.3766018 473.6524661 243.0215441 158.7425795 13861.855 20271.02612 17161.18554 18573.63297 26195.19113 19715.7174 24691.03903 18537.68261 32515.87334 16061.622 13126.42709 13816.82942 10251.51172 9905.874875 1148.614752 12949.93644 1821.60447 14039.68495 N2,N5-Dibenzoyl-L-ornithine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16319.80489 14530.95145 9170.131881 11801.48747 12593.54425 11297.55243 8121.209392 10694.78882 16659.64463 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2240.200727 6504.074074 1048.637712 4.07813e-08 4.07813e-08 4.07813e-08 4502.017031 1880.511506 5318.991058 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1661.396683 4.07813e-08 2962.882785 4.07813e-08 1-(5-Hydroxy-2-pyrimidinyl)piperazine 579.5712826 1441.964705 307.8201667 925.0076354 832.1510335 4.07813e-08 321.9207851 471.187631 2069.206456 3334.802732 4413.278283 3555.979589 4504.090006 2882.91749 2296.571202 1332.125241 1181.06558 1772.526572 2141.486847 2202.60415 2445.993817 1350.286042 1845.265313 1436.804212 2009.098851 2041.295585 1736.416945 7113.998049 1759.921905 712.3075738 1984.877628 1931.905545 1914.756625 2300.576546 676.8083396 1227.434812 1631.898836 840.6355363 959.7983474 1725.646719 2053.644468 1523.649579 2043.652601 1694.891801 4109.170804 505.5180068 982.3908085 439.108819 1261.839573 5366.582745 1671.632604 4.07813e-08 7875.204096 230.5998442 3,6,8-Trimethylallantoin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 995.5268363 613.8682564 685.8219973 1552.080823 2137.534092 1589.499033 1264.204351 628.7800685 2615.398328 1334.842828 559.3443367 2426.00826 4.07813e-08 97.03991871 107.6463628 88.03633924 4.07813e-08 193.8435631 137.4345969 374.5005071 4.07813e-08 4727.272096 1394.214727 1239.677014 2151.086576 1250.654424 1827.07677 4152.289124 1747.888261 1662.188282 4.07813e-08 103.1124407 4.07813e-08 212.5989938 4.07813e-08 4.07813e-08 176.3780844 4.07813e-08 4.07813e-08 4.07813e-08 230.4368199 4.07813e-08 228.4700278 392.4415512 1884.090469 4.07813e-08 1303.87201 4.07813e-08 5-O-p-Coumaroylnigrumin 4.07813e-08 4.07813e-08 4.07813e-08 1753.523856 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37519.12042 26991.24816 14494.79188 37136.05453 27342.21177 9915.149835 19970.8007 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.040860391 1926.621525 4.07813e-08 7808.758879 11667.1654 18847.02816 5407.670139 30386.36597 42315.31072 14996.35424 8248.585151 18540.03906 4.07813e-08 4.07813e-08 4.07813e-08 1612.893261 4.07813e-08 4.07813e-08 4.07813e-08 2179.154957 4335.200782 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9809.433801 4.07813e-08 Istamycin FU-10 2641.886792 6118.745335 2937.804422 2916.123938 3272.19928 2334.41621 2702.192446 1926.361496 2209.314454 27841.01459 29514.71871 18366.29333 30227.7084 19751.76721 13516.68664 20616.82826 7678.03034 21025.52963 4868.994877 5069.37078 6020.885934 6190.094463 3789.290719 3205.91909 6591.597152 6350.553092 4012.62814 24727.52158 28724.20421 27010.14035 13215.78204 46900.53617 32235.96256 20036.39059 12042.23993 22348.96455 6899.710615 1869.086144 2606.405243 5205.168767 4820.799898 6549.585125 3203.768339 5916.247422 3629.052275 3066.743494 1848.348541 2349.305377 2407.119922 3872.68601 20247.78926 2556.507258 28827.51144 2192.331103 Sulfanilamide 1342228.769 1389644.783 1095638.091 1382122.505 1279532.098 1068067.483 1545793.63 1749145.232 1280148.01 101817.129 56669.81929 68276.67444 81340.55856 52695.34484 176612.2637 80793.52375 48711.54465 97171.13287 286425.1435 223282.1424 293344.6803 315158.9689 185912.0995 209454.039 319457.7677 72243.53786 316946.3049 27464.40927 61947.19156 29626.27383 107588.2453 23161.49141 32145.16416 37480.88099 67741.44549 69005.35975 853109.8303 581838.5218 812846.974 404489.908 324067.2841 263584.0309 213148.3758 208423.2715 70003.67919 412342.2869 373521.3108 922198.2329 875859.2453 980909.3269 30737.66638 672610.6017 66646.66246 714933.1043 Piperolactam D 54844.96234 272953.1372 124884.7539 124962.9018 104245.2997 73316.13113 272064.1646 152096.4661 203746.5652 4.07813e-08 5034.528557 4.07813e-08 1811.436439 750.8960484 4.07813e-08 747.1298073 4.07813e-08 975.380169 6020.032338 7154.721223 11434.44574 13588.16657 6254.49939 333.5340119 8793.923888 9130.897522 12726.01814 928.0263029 4.07813e-08 619.5498188 754.6049582 2120.137805 4.07813e-08 1037.154228 1129.338986 4.07813e-08 65566.96933 28504.56877 30162.05611 8173.466676 17989.28075 11617.1009 4.07813e-08 9087.171404 8049.278747 4546.227341 26356.9049 53845.13824 92196.87428 106168.9097 7253.86102 62998.04597 2100.945277 75186.64047 D-Ribulose 5-phosphate 6374.698859 3779.360115 1989.973947 4265.50474 3661.746827 4890.831681 2974.301049 3819.997161 6071.152623 4.07813e-08 1113.835218 4.07813e-08 642.7295639 4.07813e-08 4.07813e-08 767.8074463 4.07813e-08 4.07813e-08 2008.322227 3912.190069 3276.426999 3241.589849 3714.10388 2426.933023 5537.86014 10516.42818 9400.526782 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 929.617756 4.07813e-08 4.07813e-08 1308.848173 3021.682801 2751.42102 3189.037522 4066.703414 4272.417462 4091.209341 2682.652121 9136.094105 3362.978998 4525.214245 3283.799824 1638.822567 1573.192169 4515.701546 4.07813e-08 3225.036419 4.07813e-08 1601.337213 7-METHOXYCHROMONE 6567.87053 8812.521297 5848.484734 15585.30129 7027.930954 4941.855362 4370.716363 8707.529928 11257.66427 15148.71301 12373.70644 9085.727527 9045.836379 13019.49326 11012.44174 934.8377053 2299.583372 17682.04723 8557.520328 7776.701689 13811.91702 15589.40668 9802.766778 7576.254334 8649.03733 16428.29251 6543.465468 920.8425499 8888.239034 22368.02268 13215.12013 11317.10484 6634.915425 6332.646773 13569.3057 12516.47073 9481.145672 11598.35042 12251.28914 10222.61178 9318.690653 9494.181692 8053.085278 17160.78834 6119.320664 4641.362902 7282.388724 3412.666207 3508.185002 5211.713995 16307.0113 6372.409243 10572.0278 12056.71109 Ribitol 480.137562 1378.514355 479.3239428 832.7766144 746.1356647 386.7105813 381.4189142 1050.92184 318.4876086 18537.67818 17278.60237 14710.88701 20016.72952 14068.29297 7864.190713 8977.965493 7853.126068 20158.90802 111.6449163 399.3921766 1016.040383 663.5741441 2823.99301 1486.433972 931.3176783 181.1945058 599.99572 19051.58177 15864.98315 13457.39263 8437.890516 20762.83737 22358.76738 20416.28478 9109.692685 12980.04667 1662.285119 518.0268251 138.5168877 1898.447691 818.1174241 880.8158509 1039.396024 319.2996851 918.6703455 355.5507366 63.90371606 95.04017975 439.1751089 3002.227637 17596.37482 4.07813e-08 12055.87953 188.3669528 PHENOLPHTHALEIN 27058.31191 28942.05246 18757.61861 19859.78806 17839.71047 14974.28935 28128.73457 31333.59708 26271.44299 9326.285607 7690.589252 17789.43834 10285.29562 13158.94453 19048.36094 18342.94675 14652.1172 15152.27853 12107.54674 2371.862859 11377.12842 9609.071394 8666.240021 11039.30111 8796.065543 19224.66486 19161.2476 5593.07456 15707.38823 8271.727912 25426.12154 13732.9339 4654.236729 11641.06101 9222.497293 26502.24378 25858.45706 21887.324 18831.07601 15265.13477 7746.59271 7169.758338 11594.11633 23247.79267 7996.348194 15064.6119 7830.361415 15709.61254 10922.20015 17732.89523 9165.281213 11869.40043 11856.38091 12478.09843 Deoxyribose 2481.615852 2979.136119 3395.236907 3898.319579 4366.570469 3581.169158 3148.115762 1770.8536 4265.490936 2621.825773 2298.482428 986.9357253 3501.184837 2483.294147 994.0661489 398.2749184 4.07813e-08 4860.543939 4200.576181 1591.717754 5149.805683 3012.367228 6973.259631 4802.256425 3801.045263 3543.104667 3408.918057 641.9257924 2255.639152 2913.323117 2398.165642 2715.46126 2578.227676 2739.210566 766.66487 3240.462159 2487.63349 4267.018817 2988.202218 3205.126629 3020.082513 4634.865871 5492.457732 2477.316756 3655.694785 3627.901668 2374.843952 2219.01582 2562.747478 3074.810652 4502.448205 1904.108792 3433.270651 2481.549394 Methyl glucosinolate 127.7357157 83.99072174 946.3622115 834.0811292 1299.661489 233.3437227 4.07813e-08 405.4413604 1109.602289 14473.42858 9886.900499 10342.95748 14385.50599 9849.147821 12698.63169 10435.82898 14717.46548 5401.22476 4.07813e-08 4.07813e-08 108.5719715 71.5443478 224.6397127 4.07813e-08 4.07813e-08 2580.975906 2260.505431 23460.01141 18662.96329 9058.917802 17266.13473 8524.5177 12704.29416 14763.93376 11811.15486 9131.607442 4.07813e-08 88.31849127 46.48095825 442.1906278 346.9707032 1.848915981 121.604858 2346.532968 176.1166096 64.75781625 4.07813e-08 33.64065008 593.7141793 323.9861674 10808.9691 586.5445342 12216.00395 4.07813e-08 3,4,5-trihydroxy-6-[(4-hydroxy-3-methylbut-2-enoyl)oxy]oxane-2-carboxylic acid 27864.45264 61867.43575 37485.06895 40672.8416 40472.8597 34538.78573 48801.94163 48686.05581 45070.57131 66217.034 65899.50682 61965.62257 70093.87339 67301.34748 42296.03093 50499.50032 36075.17659 65974.10168 20536.42189 14287.29727 25081.13131 20398.64652 24207.99242 19400.02647 22192.13445 20509.79699 19356.47505 57208.92792 56424.85314 39739.59926 42880.72591 60550.64248 62779.7936 54031.72245 33101.29862 47414.2671 21729.76115 20145.62288 28170.70723 24885.19973 19794.59588 25611.52215 15689.385 20265.79428 19064.18956 19629.98918 21577.73183 26830.35293 38747.4383 50036.46493 73031.2093 32037.96291 68663.97232 44800.93746 Sulfate 7665.892731 4625.344814 3746.686893 4586.152749 5297.255761 2972.789234 3826.681504 4826.041519 6085.230316 7498.793653 4677.756695 10803.14982 7825.25486 11982.44509 12270.61823 15228.36826 28493.79531 4474.958148 2389.46639 2325.79547 3313.516778 5404.057377 2259.755637 2139.483996 3731.303516 2819.570861 2310.888471 12560.1057 11309.96522 4073.967169 14256.69816 4122.447532 14585.6902 13090.87771 31303.58873 11701.54982 4368.767228 2568.489455 2713.138721 2140.205706 6827.689772 3597.164066 2430.655625 2766.365319 2385.461125 2124.867479 3116.339828 3805.164104 6665.699319 6035.480498 4389.006726 2876.584705 3828.526061 3856.481766 Calcium glycerophosphate 184.2360024 475.9592828 100.4810575 273.6248188 588.8370191 4.07813e-08 387.534442 115.2519878 95.86595258 1207.506062 1078.784812 986.5086499 1046.99856 685.3592458 631.3141144 1511.080042 713.8825524 364.1008437 4.07813e-08 4.07813e-08 4.07813e-08 32.23939637 38.09570294 4.07813e-08 161.3326756 875.035439 32.89536332 1116.337884 1317.036174 991.9378068 1449.666844 847.8550286 1406.578535 606.8531365 1481.682896 1437.748687 488.7915562 4.07813e-08 4.07813e-08 157.1539459 4.07813e-08 282.1808409 4.07813e-08 1045.673149 333.61404 208.4930702 4.07813e-08 81.36302454 348.3101515 637.3138768 839.0383565 4.07813e-08 1359.980569 130.5997856 4-Nitroquinoline-1-oxide 1599.977807 719.755779 1556.325251 1303.478017 1112.199659 1596.585057 1016.15982 1123.973082 2094.552913 190.0605901 328.6927842 172.0441596 154.742369 325.1655459 162.2315225 417.9487643 344.1676973 257.2813001 1504.433123 1803.949861 1674.173485 1194.496565 1467.982792 1754.846868 1815.037574 1203.629433 1544.419359 4.07813e-08 323.9918067 262.3835813 134.2619408 388.7509352 186.6576141 333.9320737 223.8647792 452.455207 1173.169001 1414.370008 943.150295 1301.27833 1626.506433 1734.83435 1343.662067 1895.523333 1801.374214 4670.851239 3243.117368 1020.121873 1058.314499 1694.20006 551.7081683 1197.122365 4.07813e-08 1404.778569 Norepinephrine sulfate 4998.502586 5539.881912 3905.620868 5852.074079 4797.376421 4113.35035 3940.300655 3967.321498 4190.868641 11986.96333 24952.27875 5303.449891 15217.65592 4738.857776 4364.27931 2382.101593 3792.30766 8000.858743 6637.042365 4511.253736 6211.71112 4667.879759 5853.920251 4586.085422 6277.816947 3498.561543 4861.931532 7611.348258 10878.85086 5098.876349 4234.236704 6038.204363 6452.221827 16404.61425 2509.482369 5631.885188 6547.325199 3937.457464 4614.558469 5148.918654 5063.516807 7366.894458 4629.668649 4527.509161 6683.656668 6197.450163 5990.436122 4045.863669 5111.614843 6281.975414 8258.791936 4111.192876 8091.656365 5376.112663 Gamma-glutamyl-Hydroxyproline 2401.717705 2239.618583 2326.48782 1843.530131 2083.213583 1487.390203 2505.874053 2353.680522 2218.974449 7442.022672 9434.324743 11953.91446 8240.981029 10336.00841 5288.113078 8636.802665 6378.97199 7988.815436 1988.865283 4404.713473 2037.954504 1836.674582 2961.517415 3240.109978 2134.423902 4639.751687 3184.412511 8181.025774 10382.58878 11122.00043 7393.91241 8687.809581 9874.902469 6966.798943 9604.849686 10904.95251 2818.219378 2027.684808 1536.258843 1958.621639 2776.670559 1810.880723 3236.939684 4228.751274 3018.585901 3649.030935 3415.009001 1863.941005 1956.792407 3368.945343 7028.245768 1660.158675 7595.990355 3944.004276 4,5-Dihydroxysulfadiazine 14063.2791 11018.50366 13185.29865 13164.7013 10605.27929 12843.57302 11876.63163 15973.65001 13620.35585 10621.78272 8633.250596 8535.554743 10376.19287 6587.756955 6442.965183 6187.274433 6215.003628 12222.42401 15977.44223 18887.13307 17454.99857 15028.68904 17590.55464 16767.05723 16377.86416 9518.561825 11230.4932 7406.683184 9039.619894 8675.772783 3995.02158 7759.961924 6021.51273 9583.095556 4911.048615 7743.250125 12043.69583 13870.20851 11272.6691 20457.54153 16692.39806 16098.66271 14229.102 10160.32258 18633.85038 15197.93758 12752.79209 14204.1406 12494.46586 14402.81966 8159.341188 16028.06152 6683.567743 12505.32616 1-Deoxy-D-glucitol 7984.586361 15410.56138 5885.33487 8369.97778 4902.974453 6307.377748 11250.30938 18808.6914 20013.16544 2721.579391 1943.637172 2394.038458 2276.418188 1054.528149 3380.989323 1641.713474 2836.915085 1602.095511 948.9707823 1133.103584 3976.864642 1191.979771 946.7395345 1524.376084 1482.002061 1540.555656 2351.370528 2045.576933 1488.159218 930.5446372 3446.291544 569.7446568 760.2397246 1808.313711 4872.977119 929.8751319 1591.961894 2580.914386 4884.431875 3735.738422 1252.877368 1054.576053 311.9445744 446.8001122 485.7711692 956.0039308 5872.012769 4080.860915 7631.671368 13398.50378 1248.522591 3053.897137 1851.64332 1838.337725 Gamma-glutamyl-Isoleucine 18369.18655 31146.57642 9936.905685 19691.74671 7483.853163 12096.73127 22567.88695 33583.06997 44593.6032 6580.849502 5522.642318 6272.272277 5668.837756 3353.061113 9784.292098 7573.493095 7464.695712 5823.864572 2333.415618 4914.358433 7114.488829 2493.763185 4401.270631 3088.145555 4215.862655 3150.456763 4203.514303 6380.452399 6788.547199 3111.114845 8416.696311 4409.320914 5232.980579 8257.471467 11651.47876 7926.235521 6342.475514 6834.092584 6286.65457 7500.107226 2396.190039 2315.22796 3174.154675 3540.120881 1597.157279 2516.274907 7659.566143 6766.050017 13160.17808 26681.25388 3293.813651 5889.485284 4765.650946 5882.705572 p-Mentha-1,3,8-triene 188.3632343 4.07813e-08 82.06040778 909.8342228 61.87350677 921.3652067 267.2836933 143.0869011 206.2832365 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1105.655357 606.7373555 1027.869355 359.6541176 2932.050846 4427.276653 1893.022409 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 222.6725955 4.07813e-08 4.07813e-08 80.07222374 1170.317187 805.2231124 14090.73038 191.187128 898.9248419 2971.909052 4.07813e-08 4.07813e-08 481.0145617 53.26433946 450.5705408 176.9890007 571.0456007 4.07813e-08 618.2081242 4.07813e-08 4.07813e-08 2-Phenyl-1,3-propanediol monocarbamate 2778.549849 1276.63985 2602.492917 2930.140257 4853.672796 1126.762996 1898.134503 2486.556224 2595.071452 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4746.118658 3766.197265 1696.216863 3649.708289 4809.441963 4025.156568 3430.975082 5880.366321 5458.520745 4.07813e-08 4.07813e-08 4.07813e-08 42.21410315 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2429.865167 3643.944875 1292.038772 2963.946462 4303.128558 4511.929002 3842.108371 5574.234921 5909.554695 1018.997006 1601.199263 1369.16814 1727.396766 930.5210463 4.07813e-08 1594.506873 4.07813e-08 3251.370594 Castanospermine 2074.781844 2257.137497 779.3427039 1241.986132 616.0881017 803.9775719 1328.26252 1628.648491 1936.370419 2198.154873 2087.630719 3630.314852 2184.871289 1971.482458 2399.54243 1149.140379 929.5155434 3439.447074 2419.266649 2349.287184 2047.800968 1411.518509 1286.226708 887.6052104 1544.905785 2650.361721 1428.671615 3477.669748 2781.463271 1968.572277 2427.505037 3189.992953 4664.768956 3831.742273 1691.456938 1995.071759 2103.935245 1544.690088 1243.31789 1517.900449 1003.524426 2216.310684 749.4547283 4077.59495 1609.840753 865.3588336 1161.662952 1481.280791 3135.555384 3541.239681 4081.592344 1102.356409 2230.650008 1106.714551 4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone 1697.379057 1842.896102 470.0758142 875.8637259 410.4955859 340.8983711 1663.706906 1550.069123 482.665436 1258.295973 403.797532 443.3012903 1292.11544 827.2387915 1128.715662 265.2862071 1422.013825 876.365482 3469.77831 1928.993872 3510.879825 3380.793066 4775.196129 1023.806187 3201.76264 4085.107219 2306.044844 1834.178338 2318.712596 1121.789338 1954.07759 2407.519071 1504.294327 2654.077637 723.1874667 1137.809984 4886.126823 1430.918759 3318.839245 2682.016211 3286.586331 6237.637 1249.025885 8505.839718 4158.136305 742.1374089 1677.439939 1228.824075 3217.034218 3090.719449 1924.23531 3027.242572 1951.443987 3134.999334 2-Amino-3-carboxymuconate semialdehyde 614.6015454 870.8418169 266.7121174 224.9502816 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 101.3785932 2155.20507 2084.963401 1793.962994 2242.586863 1476.74056 2228.412874 743.6342533 529.7780926 1665.180401 609.8752602 137.3626555 383.8177259 194.1323856 4.07813e-08 28.70369218 4.07813e-08 238.0865625 90.15507298 1333.699271 1243.667309 1883.838695 905.7757782 1706.041928 1935.301077 1740.125501 612.7589379 1397.11599 346.5100236 4.07813e-08 134.1504461 4.07813e-08 37.21498726 65.36527987 30.78055351 462.2785641 37.69162506 47.24026359 4.07813e-08 4.07813e-08 86.51829842 145.6484903 1823.174528 4.07813e-08 1770.891019 63.18884032 6-(1-carboxy-1-methylethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 6080.750467 4607.962638 3866.218327 2490.890449 3022.653745 3863.084211 3476.658098 7481.68728 6774.271398 100.6204584 780.8411567 253.8872058 122.1895645 63.37397883 145.3960293 230.2313863 149.4652165 662.2401211 3040.715073 3948.143708 3833.559688 2948.106056 6235.558845 4100.007325 3669.907299 4400.071899 4636.895004 562.1399148 298.8797534 73.14401525 68.78866291 142.2812631 89.08652306 233.7790423 4.07813e-08 125.5376703 2936.004191 2809.638399 3087.1005 3990.359721 3243.650254 5302.204396 3369.708579 3493.618692 5170.275814 1690.805413 1449.561576 3594.882315 3624.791644 3988.248009 751.7824383 4497.170252 256.5123112 2992.621671 2-Oxo-7-methylthioheptanoic acid 1167.572992 2739.228382 656.8904646 630.0818681 3152.967611 351.7123857 919.7102403 2004.404172 1899.994681 312.2854299 568.6538759 575.366319 268.1175493 360.0128757 476.5584581 114.0043071 193.8821666 616.5544875 893.9262125 777.399825 1733.512915 1236.319152 1204.354099 684.9058498 1396.73711 8300.354382 4524.246063 683.3797543 941.0835439 649.4461164 1436.976552 364.4728216 601.5483546 826.0243271 171.5099766 395.5479077 1495.976088 93.8181448 766.7238587 457.599551 462.7172754 1530.647789 591.748428 6899.503864 4395.78107 372.8344292 733.8763008 546.9346767 2869.369922 1578.382187 1221.541586 1495.903643 1001.645311 736.5128438 1,4-Dideoxy-1,4-Imino-D-Arabinitol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1855.364343 1718.358257 1337.211861 1817.610778 1721.618402 1427.548181 1626.802654 1626.678592 2675.734092 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2322.456782 1722.610091 1603.310442 1631.093341 2168.416706 523.8557148 1114.879388 1517.532501 2062.462545 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2510.638591 4.07813e-08 1748.620369 180.2255531 gamma-Glutamylproline 700.4845291 1775.472405 148.1952488 164.2193546 935.8781977 144.6272161 82.83417275 937.470515 631.786267 4516.614423 2181.513202 4064.122324 4273.390285 2277.64908 2456.976263 2314.651666 2899.332989 4906.463306 2700.358121 1205.452529 790.1240564 627.4021161 649.998827 271.2583164 531.7665897 871.5484961 528.3536405 3659.013023 3907.797124 2962.516427 2008.16251 4335.913825 2655.301712 3043.579188 1921.063427 2912.472868 1231.598561 407.1106157 368.9862265 614.5586627 443.7558746 917.9436238 187.5489146 1028.626244 530.1236768 500.1320687 383.2985528 417.734502 658.9628775 1264.678633 4362.574772 508.3005568 2643.844758 380.7163108 S-(3-oxo-3-carboxy-n-propyl)cysteine 6926.25732 5249.377391 6203.526781 5376.630813 6658.125309 7719.159675 7403.141047 7299.186554 7244.056626 694.0446738 382.0278624 580.4779682 733.0507945 1194.871724 802.0816717 1033.495872 484.0438267 732.7925312 10750.64109 13595.69531 9152.989601 10046.36776 10788.40738 10435.94592 9533.898816 9933.302228 10760.57257 548.8182038 742.3182435 1581.51229 1257.975418 1248.70752 882.7765975 994.4198073 257.9445319 982.1642969 7330.668218 10921.12594 8824.657923 9411.284589 10870.39835 9410.803094 9667.446013 8604.083418 17859.21972 9928.647813 8445.806074 6935.762814 7154.666476 5889.397906 787.527372 6482.515246 602.000841 7711.743647 8-Methoxykynurenate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7442.709673 5103.431994 3149.148189 6592.806321 10022.74628 3813.879206 6990.108094 8012.373437 12775.12584 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13083.7802 11656.85116 8186.498023 6213.599893 5370.118087 3153.626528 4665.897535 5171.164978 6218.169523 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3494.248202 4.07813e-08 260.0245121 4.07813e-08 Gamma-glutamyl-Tyrosine 3447.518222 5343.843562 2051.073356 4631.1138 2320.529322 1995.772348 4009.943827 5276.401679 3960.88427 921.5021414 925.7535951 664.5934696 423.1465809 583.847129 722.5283902 796.170962 1194.222146 852.8121621 1070.813437 1183.816892 1862.030812 875.8520695 862.0161485 417.716396 1084.703222 769.2913104 400.9738664 905.6863666 714.9918896 664.9321052 1155.376061 1013.997364 630.9246395 1176.789688 1201.413227 759.2516424 2759.648184 1730.150384 1392.74455 1588.95713 757.4788345 1172.955471 687.105036 556.6027435 934.1921085 610.2111608 2628.37607 1038.068395 3540.72137 4743.138143 402.9670471 870.29838 585.3407383 1034.779989 Vanillylmandelic acid 183.592273 828.5253339 237.4211739 279.8223832 878.1271984 873.3971827 834.4474864 467.3371844 96.66552401 3260.901698 2688.066671 3732.011181 3341.413388 2729.401038 2499.665722 1643.861984 1047.513391 2889.99076 1140.118131 832.9956259 903.7456029 748.8698421 1236.455715 1098.519911 1102.589247 1519.105326 1719.060391 2828.063538 3737.623861 2768.377828 2167.811206 3179.201217 3514.99104 3611.921665 1623.308 2898.0197 1788.929078 1655.521828 1614.637198 522.8946313 992.7775793 1673.094179 974.7062135 1887.00099 2202.472853 917.1717616 370.2687095 363.4995766 387.0389642 783.2606202 3469.675883 776.2100398 3186.003808 1125.296092 Epsilon-(gamma-Glutamyl)-lysine 1273.29234 2392.657957 836.3471063 1360.53688 1115.87558 1140.981387 1182.341632 2174.038215 1951.05652 459.6407511 677.8889237 705.5571864 962.1788115 293.8297037 1104.67429 417.9877364 4339.907101 112.5106672 4.07813e-08 243.0410864 353.995985 55.23545742 254.9408525 293.910971 372.3445837 60.85522437 304.3776005 1927.591016 356.1885237 47.59456798 4.07813e-08 4.07813e-08 427.6182805 270.914251 6730.375917 218.8739212 298.7946065 767.6522991 567.5410019 643.1426866 322.3606899 190.3181368 431.4444286 119.0719953 4.07813e-08 59.45149859 1013.193873 767.9099665 1784.829864 5639.952998 45.65507542 763.4201284 1262.377346 569.8496923 Melanostatin 2677.370223 4431.812176 1245.995685 3120.935837 1231.128313 2224.260308 3380.500179 4724.629708 3493.77272 4.07813e-08 165.8118381 345.3557936 10.31856372 83.20332787 259.0204408 4.07813e-08 490.5926069 285.5944285 281.9874564 4.07813e-08 1207.682179 314.3758461 643.2342138 663.6089759 544.3039423 54.14856313 565.0972563 350.1636797 492.8288473 267.827188 215.2257308 727.2538074 528.7440322 392.2036661 172.8833838 70.66394723 364.6995981 762.0802547 1476.569504 1044.699903 500.5435554 280.4337439 283.2214388 85.38195036 147.9685139 99.82241498 989.5439111 1340.890943 3122.795776 11741.03527 243.5421592 1063.603341 198.0386447 770.9230487 2-Phospho-D-glyceric acid 374.7076897 368.10635 369.409836 308.1229367 266.9270748 439.9007842 433.8483131 246.3549684 237.2325219 275.4600731 156.4429326 258.8660038 346.6394325 155.0899364 131.6557662 4.07813e-08 45.99145591 102.6952026 1291.44141 1491.154873 1126.743168 1093.772309 1143.140101 1078.406158 924.1336794 1724.45329 1353.930197 456.2143064 512.2756276 50.11891641 262.7976277 590.9229643 244.8673905 764.2557242 51.26687805 100.5763586 733.3796144 1095.774696 961.9128752 1289.195767 1119.643355 1386.915707 828.5592382 998.7454468 2277.131568 488.8823277 766.0151968 921.5694507 854.6883544 1094.732482 698.0486554 737.1560962 388.51259 935.316613 Mannitol 1-phosphate 4.07813e-08 4.07813e-08 4.07813e-08 20.99964251 23.11091844 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2086.965366 2111.146537 2406.245195 2548.964634 2496.414804 2058.735428 1640.109568 1293.465939 1662.381739 4.07813e-08 161.2236245 27.72267701 30.77409924 109.9058044 26.94726534 4.07813e-08 4.07813e-08 71.745784 2806.294332 2648.173061 2580.116596 1709.067758 2649.152245 2476.942014 1747.807592 1593.835297 2566.700584 4.07813e-08 4.07813e-08 84.59966037 48.05664617 111.7088955 73.40074443 29.07908324 4.07813e-08 23.6833255 4.07813e-08 16.70085651 11.49418693 14.05244216 70.06392215 2718.202422 4.07813e-08 2120.536963 4.07813e-08 Flupyrsulfuron-methyl sodium 371401.8742 352175.4783 386826.4242 358056.1258 387983.6972 397180.6502 377569.5638 360185.7176 381608.3072 283631.9764 261735.7526 276528.7421 273833.8113 317531.2523 265188.1526 351983.0608 271518.142 338711.541 290246.8918 312116.1377 274785.1192 320950.4856 305472.4501 306449.4134 315111.2763 313052.2402 301717.3329 260163.9032 308057.3885 293582.985 359290.7552 268877.8889 270927.2131 270989.3254 312557.4681 334029.1663 325397.667 291276.4518 300946.0854 275500.659 297887.3554 288066.0538 323971.8971 321826.934 329119.1542 377389.774 364344.4655 327451.3608 329541.4988 309878.4463 251701.5237 321584.3279 309968.4064 371084.1879 alpha-Carissanol 3492.775982 1849.566636 2913.929888 1413.846518 4032.778355 3713.794229 3599.846278 1971.302667 3186.054513 449.6432489 586.3237182 4.07813e-08 1203.134749 1005.142722 510.3519519 4.07813e-08 510.5936104 2668.291502 6879.447049 6634.598147 6877.891108 7565.565165 6018.000115 8494.005533 7161.463227 6201.630925 7747.308303 351.7869909 4.07813e-08 704.2083869 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3651.183455 5704.730268 3731.129652 8929.282356 9103.710932 6335.792397 7559.922746 5974.594245 8543.309302 7221.946987 4368.613707 4603.99064 3194.335571 3610.778676 1633.315693 3736.599274 4.07813e-08 4329.296098 1-Hydroxy-3-octanone 1905.687141 2044.402906 3386.496072 2381.744035 2624.264575 9952.069426 2397.921824 2640.492231 1359.620742 430.7259797 173.3684643 148.4750948 300.1044381 96.99652083 614.5397471 213.817567 173.2886208 4.07813e-08 2801.874508 2858.72441 4420.817282 2533.52521 3799.320944 5832.883625 1926.291648 4274.40414 3836.496688 498.2705001 432.0818742 316.6982144 841.5256329 4.07813e-08 261.5949165 578.0434579 1001.706697 4.07813e-08 1884.94719 3655.593035 2323.708947 4074.928819 4380.87096 2248.350607 8084.077298 3397.204497 3884.235141 1041.963745 2264.968137 2727.402684 2385.033869 1623.551845 491.2099276 2060.653328 4.07813e-08 2451.535496 5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone 17513.30153 18700.34245 19160.59204 18623.75558 20083.99024 15576.28537 19277.36632 20302.73136 18046.14348 14560.07406 12650.45737 13816.65297 14129.61792 16597.55602 13121.32949 19854.11564 12556.02807 15916.88946 12339.66703 14709.81649 13942.87722 14443.01576 14943.32817 13034.64997 13751.11859 17185.78118 12543.11696 13807.13482 15871.51197 14349.50116 18484.99571 13652.33189 13519.39809 13671.64533 30694.87455 17398.59945 16808.55629 13185.88317 12829.63921 13041.52696 12625.94295 13505.64498 15606.94134 14511.57426 17453.59649 16873.93752 16299.33988 16023.25738 16089.80826 14642.09329 12785.25555 13179.18626 16089.00609 16784.38348 Anapear 692.4590132 4.07813e-08 588.5664207 4.07813e-08 148.9862139 1285.957235 291.4721512 281.8771699 4.07813e-08 4.07813e-08 4.07813e-08 300.0235825 4.07813e-08 239.8902327 4.07813e-08 161.5629527 4.07813e-08 4.07813e-08 1770.09913 1439.841278 771.0466615 595.9690101 1988.462406 2005.595284 420.1119628 1235.611103 681.3089401 4.07813e-08 4.07813e-08 112.856049 4.07813e-08 4.07813e-08 4.07813e-08 112.0764132 4.07813e-08 266.5610286 319.0061001 1232.952825 654.4791597 422.0206462 1319.470702 880.5299862 2019.021619 934.5198656 495.0143541 699.1983007 806.8492178 1225.390869 804.3107048 4.07813e-08 4.07813e-08 850.0684334 117.6864895 765.2763745 dolichyl D-xylosyl phosphates 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11715.98593 4.07813e-08 6655.361489 20087.36699 2414.691302 43882.02197 26132.76589 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10053.64576 1242.680273 4.07813e-08 7302.84798 4.07813e-08 4.07813e-08 1781.559071 8800.573147 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 966.1559954 4.07813e-08 4.07813e-08 4.07813e-08 D-myo-Inositol 1,4-bisphosphate 10660.64889 11884.71193 11138.74451 11232.40247 11701.21442 8782.524876 9532.268419 8761.327651 11296.54039 8403.048133 7274.406589 7196.037261 6561.22773 9212.54553 7923.722539 11234.40429 5422.316796 9109.581916 7630.293945 6481.247824 5786.445762 8778.982665 6328.990196 7157.507482 8297.932473 8640.880583 7168.932966 8328.434882 8872.707806 7761.071874 11325.11909 8016.651358 8193.420779 6691.698446 9297.821039 10557.91974 7961.280533 8935.523286 8241.256254 5959.799365 7526.868713 7694.582379 9010.750263 9122.328673 8576.527713 6434.364958 8059.983904 8472.5421 9722.819975 9028.218049 6483.708445 8546.636534 8775.542043 12249.01571 L-Nicotine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 229.5587049 191.6327462 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2940.41465 1043.699946 185.1351235 232.828448 625.2689322 695.7885187 384.5201762 4493.112823 1572.039043 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 635.6587584 4.07813e-08 4.07813e-08 752.5746655 4.07813e-08 557.1598933 5917.873308 1119.90525 673.8998182 2212.676765 590.7138141 4.07813e-08 4.07813e-08 4.07813e-08 173.3617484 4.07813e-08 4.07813e-08 sn-3-O-(geranylgeranyl)glycerol 1-phosphate 2427.457778 10418.65073 30903.56823 8726.464116 13093.37634 50846.60351 14268.56474 15017.82084 12749.09125 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56703.01611 36607.65962 80169.41879 46875.62786 57968.04371 62038.61481 51656.74545 14153.07063 16905.05959 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2845.434207 4.07813e-08 4.07813e-08 8716.36679 8509.419061 35429.11043 48134.15571 27077.05192 66975.46486 50796.75045 11476.86893 33787.00699 148509.0202 76338.75339 48280.39954 18869.23279 10836.66906 4.07813e-08 42195.17542 4.07813e-08 26248.48011 (Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate 6358.478117 2772.287191 2854.821606 1282.606712 543.6577983 10123.65461 20596.98124 2459.513507 2528.771107 7063.45208 8449.49765 657.8776337 4438.862604 649.5707573 768.7935702 3605.54813 1086.929937 396.357506 1763.812123 1474.929874 3558.533185 7015.078994 5961.607865 4106.205138 2617.055526 3643.561619 1262.448287 838.2092405 690.759391 2050.633035 1723.811309 1568.491227 1758.25574 413.2822011 1758.034154 929.2561063 8141.391309 3774.651245 3890.309068 3042.826406 6813.450326 2694.472367 3845.793372 2393.997043 1283.242176 655.0873697 1699.273749 2411.154352 1764.569085 1158.067016 819.9981485 640.4027517 1955.505255 2484.673941 tridecanal 28082.02358 28788.4653 27940.75137 27547.01294 28295.92921 31910.62976 29187.38184 28976.62674 29409.68155 23189.14743 19641.88245 20698.68408 21623.86819 27484.83064 21368.04438 28372.59751 20756.1 27004.97407 19118.78463 20105.84519 19561.0837 22713.71384 21995.06132 21305.06487 23105.62143 23391.65656 23882.44255 20443.57138 23499.39514 26028.32231 32001.09954 22420.53766 23214.50129 19969.27461 23902.4732 28942.71204 21873.72413 25220.59046 25217.28156 21619.04774 20212.77923 20792.70155 23324.79214 22389.89096 24460.42748 28455.7749 27950.83902 22218.71443 25111.50445 23763.06963 18290.14502 21851.86047 24199.11615 26162.15404 5-Nitrofurfural 198940.081 186902.6718 192088.0166 190045.0719 199103.3349 175681.8986 180787.1423 178507.9083 186265.9301 156439.0057 151610.0203 147588.0689 148918.2707 170465.3133 128107.7249 183671.643 133599.8171 166839.8467 137708.5974 145385.6963 128816.1628 138378.3678 134944.2429 134622.2349 144116.7724 152911.9903 151766.9976 140560.4913 163331.4746 144406.009 175569.0733 136303.5617 142781.8213 137033.4043 153798.6698 188864.0445 159155.5367 137862.6706 139062.9904 131505.4264 131076.1091 140670.1776 146020.5196 161077.9294 162541.4382 154230.5984 153611.6503 143616.6255 159181.5145 148764.194 120439.6167 149664.8038 166207.1057 183156.9768 ethyl-2,4-dimethyl-Thiazole-5-Carboxylate 636.2289189 718.2003211 667.5624271 744.4642165 907.8128543 979.0301927 1228.72966 1213.311324 1275.010523 29.71794622 58.76126195 111.585202 57.40725025 4.07813e-08 42.05723204 4.07813e-08 4.07813e-08 4.07813e-08 978.6691874 1512.717387 1353.90156 923.4137325 2659.166802 1836.716577 1487.442576 1220.766264 1891.545953 87.24007249 4.07813e-08 4.07813e-08 4.07813e-08 29.66747717 106.9315658 4.07813e-08 4.07813e-08 27.93168355 393.874953 929.6041004 627.2565013 1947.876415 1334.534494 1787.791236 1881.265193 1513.785029 2190.282973 1993.745729 1418.727426 984.090826 777.5061233 1059.26521 58.6566939 1024.607124 53.0266353 2076.599945 3,4,5-trihydroxy-6-(4-hydroxybenzoyloxy)oxane-2-carboxylic acid 50.08073917 4.07813e-08 83.14645607 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5718.732605 5079.426129 7542.217576 6252.11481 5042.516802 7323.509182 4426.508013 1250.276504 6282.878303 4.07813e-08 60.29749549 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36.62109554 4.07813e-08 4.07813e-08 9962.792535 6358.243827 8102.600959 4056.523144 11533.99284 9026.418264 11721.96974 2742.097366 9503.532506 4.07813e-08 4.07813e-08 4.07813e-08 30.98813059 2.792191843 4.07813e-08 4.07813e-08 4.07813e-08 23.68976007 4.07813e-08 4.07813e-08 4.07813e-08 32.4407448 4.07813e-08 9165.425536 35.9027828 10602.90917 4.07813e-08 gamma-Glutamyl-beta-cyanoalanine 4.07813e-08 84.6514438 23.82177307 26.99588743 16.17949295 4.07813e-08 4.07813e-08 16.23852123 4.07813e-08 2912.44515 1829.50649 1542.566059 3398.066281 1430.515851 1427.13194 2733.71698 1151.534783 2358.175658 35.58120869 25.74621953 66.34185966 25.16826427 54.66627809 62.40404914 21.68062991 59.24845502 9.902815763 1613.191866 1570.083887 1711.059284 1699.745513 2561.550658 1411.836169 2364.320377 814.809766 2057.465437 12.23626149 4.07813e-08 11.4008002 22.06282712 8.678558828 50.96499087 25.671352 4.07813e-08 10.5530156 4.07813e-08 4.07813e-08 4.07813e-08 10.84482128 71.30504985 2800.101041 31.12397261 1195.973823 4.07813e-08 Tetrahydro-2,5-furan-diacetic acid 1893.686589 2417.620567 1987.98144 1864.130844 1771.840981 1724.330017 1655.157687 1601.37194 2158.57948 2317.548258 2555.728752 2777.273041 2641.466465 2291.626692 2553.760399 1862.595875 1236.868823 3004.043866 2095.159563 1840.439476 1999.414623 1725.083216 2081.249519 1843.575648 1863.373773 2533.026588 2244.384322 3741.247276 4107.939441 2433.739382 3407.618923 3968.620092 3350.641406 4598.597785 2059.160434 2613.542093 3009.599985 1793.599571 2063.347151 1606.257877 1577.651165 1696.629771 1520.800868 2217.213579 2686.931943 1631.262171 1740.270968 1804.714938 2116.76634 2676.673346 4504.679251 1774.332824 3695.90913 1575.517466 Sudan II 4.07813e-08 188.504236 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35986.96023 23284.11583 18534.36986 35031.75209 5974.67946 22867.18852 10629.57819 8874.633232 24589.73533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2314.985069 4.07813e-08 23148.57251 27836.52985 12315.2413 18105.76043 16025.76362 15311.19253 34151.11917 3206.088312 7246.116742 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 147.5443004 1029.618214 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 992.3055843 24355.91396 4.07813e-08 17558.92172 4.07813e-08 Cis-5-Caffeoylquinic 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 59.77019975 6012.33835 164.3307836 55.13248088 4.07813e-08 645.8408419 13948.13843 13138.9522 4.07813e-08 4.07813e-08 4.07813e-08 0.088294382 4.07813e-08 4.07813e-08 24.07037824 4.07813e-08 4.07813e-08 4.07813e-08 9382.338732 148.0341269 20258.43382 462.6810519 13700.39796 7120.433575 139.1284521 11356.47713 10046.00866 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1597.955872 4.07813e-08 4103.489287 4.07813e-08 2-Methoxycarbonylphenyl beta-D-glucopyranoside 4.07813e-08 21234.92249 4.07813e-08 1001.175509 399.687856 4.07813e-08 8277.253878 4260.088731 412.6143207 20932.71044 34231.51366 11951.35216 18809.55625 13942.72562 13979.84151 11450.72492 19595.59132 8529.892986 51.06522412 45.25064333 107.5724368 4.07813e-08 4.07813e-08 4.07813e-08 459.2418094 280.5866445 4.07813e-08 5379.675348 13934.5939 27043.00761 10112.55174 27764.06516 13688.91397 24310.40604 9441.580784 4876.098269 1467.91647 66.6799023 117.1945386 4.07813e-08 4.07813e-08 52.33092664 4.07813e-08 690.3938258 4.07813e-08 4.07813e-08 849.8665801 2806.723074 5290.143243 15227.17502 11939.21845 3884.513445 16563.42552 8411.33582 Theogallin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9086.304428 10273.38698 11572.88645 9489.917349 7681.934915 9916.566708 10156.30684 3383.181569 10953.32417 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15555.69313 12232.69577 13625.1788 8265.775479 15955.43547 16988.8286 17186.8259 4181.861229 17354.31103 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17138.44615 4.07813e-08 19598.71804 4.07813e-08 Apigenin 7-(6''-crotonylglucoside) 5423.830934 25639.78926 7554.0358 8356.958931 8506.327511 6713.895543 3248.180423 21445.78993 29703.41643 471.1164271 120.7243181 5057.398768 196.7808316 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 111.2606441 4436.383707 2868.347504 2707.112406 1093.305519 969.4831369 1431.515348 1400.43656 490.39486 1155.760953 101.6622757 102.1435955 4.07813e-08 810.9734636 90.6664753 4.07813e-08 284.8589321 132.2473527 409.0593769 2795.10452 2822.33218 2297.785872 3347.5343 2317.238498 1160.961602 1420.327195 595.4926755 4.07813e-08 6114.323502 7827.320203 13768.88938 9499.067016 32036.42511 150.2931759 8462.902081 1026.818285 3483.908111 Nicotianamine 158.4289908 1004.317771 160.7903643 188.2687446 452.5803155 394.2967503 297.8376809 365.7475129 259.9259566 6521.514676 5709.72873 4075.848125 6679.569204 3613.329246 5090.614529 3597.414953 4495.678924 5795.470798 812.2833669 973.4015708 889.3152403 897.9441326 894.1633597 1172.854425 727.7905374 959.6823897 1147.234783 4768.367827 5252.862871 4525.120761 3822.437625 5404.773599 4279.475693 6801.609822 2665.104596 5348.330516 167.2185941 725.9351887 796.6364962 833.0351084 1079.467083 1175.657715 809.8730873 1221.648166 1236.978564 1112.636255 707.4291511 600.3626115 653.7311444 933.644248 6353.547293 727.570819 4995.98286 817.2475152 5-Hydroxytryptophol glucuronide 659.3025754 1489.458102 4.07813e-08 2789.255994 7742.628036 892.4508099 208.31226 589.8169461 4.07813e-08 41.99881049 4.07813e-08 4.07813e-08 32.67390565 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 172.711387 4.07813e-08 1324.647436 2600.870317 1903.062096 1397.055305 231.9884834 4.07813e-08 814.2215122 4.07813e-08 4.07813e-08 6.027518587 4.07813e-08 4.07813e-08 4.07813e-08 6.004763525 4.07813e-08 4.07813e-08 851.8339325 172.0506068 1828.90788 1149.624707 3801.422673 3491.81494 1117.128451 4.07813e-08 4.07813e-08 1229.762957 206.4532223 858.7935905 204.0597405 2593.752359 4.07813e-08 1109.27625 4.07813e-08 182.0861569 6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 47.22258389 60.65810798 79.30492819 230.8840575 542.1829895 46.7915228 33.02577364 288.2447608 249.0891194 16928.07929 16977.3023 23492.8693 19066.23889 11538.23971 14510.73485 12115.19014 12098.64958 9098.667869 4.07813e-08 300.7726755 498.7832808 277.236737 490.7236626 42.16731289 221.6467175 81.53839153 203.8981672 22896.95955 14962.2375 10143.70756 10149.05048 16241.97845 15173.06675 24331.69872 11767.91842 13955.99798 112.3284354 43.19853149 57.13777374 586.5033925 227.5886551 506.3645615 252.3602953 99.18487041 439.1360736 323.8237544 185.0062191 86.80222499 120.4879013 169.6907266 17355.45359 183.293096 19223.78293 75.3196281 Triacsin C 426.3335508 2250.859617 862.0419274 766.0928577 1347.46952 307.9425687 1345.456506 2858.089824 1630.213753 807.7796783 938.1400015 1214.530388 946.7150743 570.9334472 577.4317347 665.9239739 598.7060406 795.5500598 4.07813e-08 4.07813e-08 590.8127016 49.96880208 641.5653918 136.0791465 435.0685806 377.3268321 4.07813e-08 996.0704894 1056.202071 806.5148993 690.8344526 791.6507063 613.8389839 998.9644355 976.0401068 900.8145569 972.598236 304.6128472 818.4072443 368.2585448 179.3954773 744.9584151 318.1160246 353.1669286 116.2382978 4.07813e-08 36.91195571 705.2449204 1053.655499 1475.128072 629.4232072 996.0048242 883.7491315 1105.543696 2,5-Dimethyl-3-mercaptotetrahydrofuran 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 976.2612158 828.1859047 673.2944003 950.9263778 346.4443023 1562.432411 498.0784834 629.5120322 1030.431905 4.07813e-08 4.07813e-08 34.48823604 4.07813e-08 42.63840697 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1068.091696 1153.339102 653.5497695 560.5408323 1057.859599 635.6718624 1063.998554 422.2773725 744.5268193 0.632704573 4.07813e-08 4.07813e-08 33.48852912 0.321460445 4.07813e-08 4.07813e-08 1.436538252 4.07813e-08 0.88544403 4.07813e-08 4.07813e-08 31.28702522 93.70801001 1173.980038 4.07813e-08 859.2815126 4.07813e-08 Methabenzthiazuron 4.07813e-08 1245.417277 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 131.1894944 4.07813e-08 8093.48316 9031.186262 7342.971561 8633.280866 7227.748479 3048.235465 8448.224756 5260.463253 8415.27863 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6717.237336 8102.825681 5764.815417 3260.679733 10944.92853 5680.458998 3476.971925 3650.691839 6156.060706 11.96329688 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 131.2043037 6.553248589 5475.059228 110.8186559 4202.245355 311.9159021 Diacetyl 4517.28751 3855.99339 4575.965539 4164.553294 4720.690018 4569.009067 4003.193035 4148.081029 3790.191198 2027.344951 2012.209926 2096.374469 1877.629954 2537.147355 2074.59011 2653.304187 1754.79264 2557.163081 4532.020868 4659.586603 3908.531884 4219.308763 4891.642732 4676.438233 4360.892797 5502.026459 5344.117349 1980.796101 2399.390099 2523.09179 2739.444624 1880.698103 2287.440187 1932.656561 2232.969957 2630.353257 3623.376893 4216.464447 3864.249399 4266.410211 3956.096067 4063.107042 4956.481087 5380.239272 5490.655241 4895.966571 3906.229295 4487.983486 3600.130539 3517.180348 1787.464081 4104.561583 2083.484167 4888.230399 (3-Arylcarbonyl)-alanine 1047.788509 689.7925757 1066.184659 1391.369837 1583.911809 1624.027014 1506.259832 916.6481804 1174.271062 464.3203148 237.083989 367.0870893 308.3172607 290.1337388 245.2953581 266.8881569 86.11677234 425.2207264 1927.772865 1805.521796 2734.429019 2624.838747 4290.823796 3312.584042 2625.180786 1943.621209 3710.182807 413.8634531 687.627241 337.4308419 288.1250646 662.5880177 187.5999843 337.5329946 146.9559446 269.6324322 1130.386219 1899.407771 1385.498422 3104.955277 3317.99409 3025.684931 3126.880622 1588.991377 1483.563108 2276.306941 1079.855605 1825.934561 1377.154501 1375.859646 668.124867 1587.466305 507.938674 1965.085613 5-Hydroxy-6-methoxyindole glucuronide 317.5132653 1460.279116 169.4818915 504.4752019 160.7861537 210.6029372 610.7803345 372.7121857 364.2690741 733.7694373 3774.051715 568.7953271 428.1412164 3454.093582 538.1226458 1855.23549 154.7044474 2488.222187 558.8346228 460.2178797 557.3225768 621.0924579 379.7599 202.8168618 179.1658418 698.5330098 423.8082052 60.80121826 926.7669998 1963.670552 77.04225468 1141.46285 473.8906292 221.2720744 4.07813e-08 275.3598267 1140.486471 565.862142 518.2073766 242.5884229 403.8566099 651.3745088 4.07813e-08 643.0165995 1322.633143 4.07813e-08 95.68453658 241.7224222 931.7405615 1651.200495 518.5688491 540.8542195 1325.183394 817.1145942 Quercetin 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 8184.935379 8829.849403 8090.411435 9074.612665 5888.659376 7518.537645 4527.049963 4292.379966 6729.40261 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9695.966942 9076.965227 9012.537768 5944.970285 14924.79771 12202.52869 10882.17047 5263.917814 8532.40952 4.07813e-08 1.693497355 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10835.20027 4.07813e-08 9693.079783 4.07813e-08 trans-4-Hydroxycyclohexanecarboxylate 153.6600971 295.7327186 278.6862658 128.2813673 189.8822238 115.9568305 142.8128629 141.7689669 58.63898693 4.07813e-08 74.80765276 142.4216396 53.51136992 122.9600173 4.07813e-08 215.3923676 26.69919144 144.3225803 404.3832358 124.052081 588.5605544 875.6413038 4719.390434 343.5725017 322.9853819 525.1367509 1712.822735 25.36340626 25.1421303 72.55910533 67.52324041 123.0243556 35.7834758 76.84833284 49.89229827 102.934043 278.6969832 4287.945481 1433.440482 975.1699051 529.3429684 3057.369686 244.5955051 511.143242 1142.434321 173.6978681 185.0149663 134.5905368 183.8151775 433.3478634 27.77338895 193.4583175 58.0299458 394.6254324 Butyrylcarnitine 1359.146204 801.1643312 866.7235998 747.7865091 1027.867362 579.907787 579.8184575 579.5843478 396.8854032 261.0653484 265.1010294 294.4517636 255.3880682 251.0100301 498.0991482 161.5798375 116.0601839 86.71012477 1234.701368 1216.94653 1245.383084 1267.341626 1354.84056 907.7758815 792.5566793 1088.348043 1863.73965 199.6005351 206.1441209 133.6140479 137.1431566 167.518979 315.807111 4.07813e-08 183.6438511 173.5345945 647.9493733 840.5267612 705.3180006 1076.055309 1236.830115 1062.487569 743.9020812 1101.333693 2333.221434 826.6412367 858.0556075 917.6859674 729.6534669 670.0646904 187.6698888 808.5143102 140.3692854 609.8197957 Gamma-glutamyl-Threonine 1216.933486 4165.584473 298.9312493 1043.317729 1045.953383 1323.631879 3077.498099 4871.047182 6441.90016 12435.69612 11283.72629 7254.767325 10110.03348 2518.62975 19422.32554 13788.96221 11999.0828 9491.79218 594.0542005 472.3939153 1308.362985 169.752643 468.1261836 392.626067 597.1950476 582.3273447 325.5377319 8090.612764 10530.08695 4164.570166 11010.91992 6713.411979 8956.586979 15737.71043 11639.08839 6214.197423 1404.922128 631.0564587 847.1660234 678.6639021 167.1316752 1077.1505 277.5116823 944.0326487 404.3406052 123.156322 1855.531685 1258.34587 2550.317581 5657.102862 6633.371092 1121.425166 4320.708386 411.7180757 3,4-Methylene suberic acid 2493.727497 2204.633398 2720.317116 3127.78848 3437.856669 2817.558404 3268.154277 2650.599407 2539.468107 478.5979914 519.9438616 391.7372463 509.2584927 804.8556362 788.2033629 251.253407 169.1684285 1023.139027 4415.870621 4345.204149 3828.982025 3441.091574 4755.9088 4949.620949 4392.624965 4771.749715 5462.510119 511.4009538 829.4855636 501.8638227 756.1620539 565.5743985 412.7991346 866.9773451 530.3616345 945.9124652 2988.728996 3967.612984 3017.536548 3978.057069 3930.607775 4407.120509 4668.379351 5434.118704 5498.013898 5362.950722 3589.939646 3435.637715 3211.942431 2786.15811 563.8209385 3188.393375 933.7114268 4364.716339 1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose 4.07813e-08 169.0977548 226.1724375 202.3522356 305.3623556 308.8553092 483.8417114 4.07813e-08 4.07813e-08 4220.775584 2674.732186 790.1174501 4416.665703 226.5434314 2003.599743 1392.217004 4561.110782 5892.549403 108.11085 67.23811032 101.0156796 194.7035229 237.8346482 82.87709281 324.5625917 142.8548656 4.07813e-08 6329.684827 2840.248698 1853.588504 2418.859628 2141.705181 3037.387103 1749.819591 3276.611376 675.9786492 390.7999319 156.3861254 4.07813e-08 32.62476146 149.3684036 235.9237209 4.07813e-08 142.8444339 73.57521072 68.75011791 70.70106199 117.6448709 225.6472668 3.743079138 2523.093011 92.36692261 49467.97623 459.7416785 (-)-trans-Carveol 948.4873646 1089.97524 1150.768105 959.9345764 876.3238543 749.6038748 907.9957628 826.4010554 1053.851844 303.6830719 200.4218262 220.4774772 296.4923181 115.0511875 106.4470375 43.10939186 4.07813e-08 97.72529301 1828.970262 2704.172121 1332.957759 1449.711349 1241.34487 2019.912269 1405.789197 2168.477364 1749.174994 90.84177494 237.9034195 175.5661467 244.0847126 92.55890635 162.4964103 237.465478 102.7444077 127.6250105 1247.775485 1971.29658 1484.670122 1527.449612 1691.969138 1544.968333 1796.19352 2001.052598 2876.348836 2090.775704 1506.044715 1578.595263 1535.29855 1410.82606 357.9268527 1507.176363 243.9389031 2322.081378 Orthosporin 4.07813e-08 4.07813e-08 48.60185368 70.97294621 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1665.132991 1264.897554 1852.830011 1635.860137 1977.621764 1451.199636 1452.681076 1209.270616 1736.847226 4.07813e-08 52.01306071 85.56888488 58.53617903 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 158.4283117 1502.737072 1653.634417 2181.483927 1201.881483 1589.397163 2328.81636 1848.199966 1235.128936 2099.524695 39.34393229 4.07813e-08 34.2845518 4.07813e-08 4.07813e-08 84.95118486 55.04154713 63.8507395 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 86.81142544 103.5488069 1852.986043 4.07813e-08 1249.505569 67.07158794 2-(6'-Methylthio)hexylmalic acid 14255.16055 13159.92817 10199.85964 7798.607633 9157.895909 8929.212692 10041.03178 9608.010716 9272.420787 45115.77943 45268.11079 12918.88995 52025.13808 12003.49256 63650.57296 8351.150691 7683.104549 16028.78879 19075.30122 11154.46269 12852.44524 11883.33275 13378.96389 8996.307864 12446.65144 8726.702645 9396.93508 9794.651768 12852.39143 13997.78186 11533.02543 18226.8734 9462.253283 15285.96186 6438.107282 10650.50404 15537.59871 8590.030331 8717.15879 8668.195648 13206.49648 16936.01947 9268.963345 7400.650895 15795.83444 8357.529664 9467.135082 9542.360202 11240.13387 10463.47513 15307.44074 9478.863944 11060.51023 8653.363293 3,4,5-trihydroxy-6-(3-methoxybenzoyloxy)oxane-2-carboxylic acid 4.07813e-08 4.07813e-08 4.07813e-08 5.771620157 4.07813e-08 4.277460088 4.07813e-08 2.719568134 7.029718464 4468.134368 3058.898262 839.5896405 4705.119812 286.6939783 3003.339315 71.71979377 2520.380549 3417.796114 3.931165245 14.2876234 4.07813e-08 4.07813e-08 6.469228388 2.981770533 4.07813e-08 4.07813e-08 127.6631943 7041.758835 3890.764097 517.7022399 3271.382261 4803.206164 2434.582458 7907.05238 540.7543139 533.8369382 5.29310764 4.07813e-08 4.07813e-08 6.335433407 6.494142158 2.972335375 3.100870747 4.07813e-08 4.07813e-08 266.1175114 0.349717675 4.07813e-08 1.689985243 3.999406594 7610.976508 4.07813e-08 4091.89097 4.07813e-08 3-Methyloxindole 118.6376296 61.56613635 179.7288301 121.2956571 166.7399118 178.042428 212.9774313 385.8702011 4.07813e-08 1702.982553 2529.474394 1454.828476 2279.56402 1088.003973 819.4942149 1727.285216 5050.873553 1694.92336 44.10344997 216.906953 2473.527222 81.35260043 141.3254941 184.4950638 34.63564674 53.74118431 112.515977 2145.53759 1510.600387 4943.135997 6120.160089 2344.375537 1076.968181 6643.779656 5921.390631 7549.848461 231.4368415 181.836454 73.72423099 216.5520673 211.5473837 89.82812734 380.9427701 4.07813e-08 4.07813e-08 456.7302275 107.8271716 204.5503877 140.6651762 478.7181155 5502.814606 162.1165642 2855.068863 581.7771794 Tryptophyl-Aspartate 3853.055469 3352.475893 2027.007645 1490.487554 1165.638791 1905.492807 3734.436287 5724.999621 4766.885025 2324.467796 2016.905703 878.0216932 2275.851863 1024.704151 1702.840382 313.3479648 1098.16107 3299.00389 5967.946801 7011.646902 4304.100159 5646.223327 5450.479783 5125.44441 5846.638753 5662.058177 5532.887037 1319.759412 1712.200156 1008.050823 1436.522058 1660.448479 1150.35636 2176.73605 288.6120445 829.9875148 3799.478662 3711.223635 5143.622196 4440.494323 5997.076971 5975.144638 4909.162731 5272.617608 7404.400291 2293.94742 2847.411524 3670.146931 3982.357628 3890.23269 1621.835744 4579.193378 1304.612891 4397.026936 PRIMA-1 1720.041011 1709.842668 1747.59545 1463.567401 1612.710545 1812.636241 1683.726089 1272.864219 844.3767315 1257.149813 1271.481486 595.1437632 772.5518736 750.3929069 1135.209184 799.9847589 995.0061989 391.0623203 2269.885704 1345.727717 2152.934827 1766.263955 1824.928017 922.950889 1527.575609 2851.915003 2202.862699 474.9969217 1034.539328 637.6380543 1088.236894 1291.789694 925.6037539 1660.957499 590.4547193 508.8369652 1471.925753 1595.001203 1918.560557 1462.328492 2155.991863 1979.025296 747.6943209 2293.59869 1655.712242 497.1299883 1058.458122 1394.379286 1607.665876 1519.123668 897.6915882 1433.721413 1106.926161 807.8745459 Podofilox 3065.48331 4326.612075 2400.969612 4378.008669 2830.418109 1572.878437 3701.325862 4671.989519 3957.923147 9387.976719 8823.50673 9876.965456 8456.918001 11151.93483 10615.1991 5368.244897 8098.034323 8605.302941 3865.930839 2744.2448 2511.57354 2704.854121 2982.598967 1404.621282 4304.279906 11829.01796 2782.94931 7478.489896 12696.60843 10488.20036 11617.39514 15246.63352 14302.64383 7422.728746 10289.29908 7925.462881 10460.17229 3261.534455 4085.782191 1488.833608 2577.224616 2747.612773 1170.824651 6491.476898 6931.432187 549.6288211 1005.008743 1715.796755 4180.285032 4863.701573 8724.066168 2428.285944 9108.53624 2334.201076 Ketanserinol 189.2092673 2894.263547 403.4637544 1222.913043 1325.380609 1285.406622 951.2486033 1720.436979 2504.190047 3997.587068 4546.907458 4702.036481 4753.876432 755.8995661 4714.97181 1274.43736 2729.880918 1.617983203 1928.019885 923.0573355 2163.699372 1035.316588 1365.755057 1644.365899 1050.666566 1372.749071 1001.867139 4512.005438 4515.796941 4768.687767 2085.922254 2289.173546 4566.147258 5397.925233 3177.698929 331.966804 2371.646509 594.9956753 1510.880376 1276.953565 1164.383532 1394.367289 2721.476787 1889.306761 1789.419835 3688.045933 588.2136346 744.7077391 1423.382009 3523.671182 4146.300514 470.2397396 3017.398969 1915.042623 Phenazine methosulfate 4.07813e-08 1350.120296 4.07813e-08 4.07813e-08 118.2337727 247.683815 229.8825088 275.8896284 467.4342991 4837.94332 4370.046379 5468.743759 5171.750483 4365.442 3710.631649 1933.582376 3192.858791 3876.174059 4.07813e-08 93.93495826 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19.31673475 4.07813e-08 4.07813e-08 3845.694662 5881.50777 5692.871435 4367.489164 10434.09379 5798.007117 5139.204384 2534.389019 4293.867883 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2125.698622 81.82168268 2244.904677 2723.224631 17926.21318 532.0719128 6269.69143 1750.34992 Caffeic acid 3-glucoside 4.07813e-08 4.07813e-08 2.933561413 0.22543372 4.07813e-08 0.22732477 4.07813e-08 4.07813e-08 102.8256537 3475.892903 2578.269528 5227.672151 3305.310608 3888.57261 3532.976023 2076.543806 1526.532922 885.2327046 4.07813e-08 4.07813e-08 4.07813e-08 121.6463099 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 96.74491006 4617.063156 1654.735472 5195.64081 2447.649648 4877.478042 6439.547518 5103.864516 4121.272894 6002.013717 17.6941661 4.07813e-08 4.07813e-08 4.07813e-08 0.462412235 86.71951086 4.07813e-08 4.07813e-08 4.07813e-08 130.6294042 4.07813e-08 4.07813e-08 100.1204179 120.8618649 4314.167554 4.07813e-08 3174.725257 4.07813e-08 2,3-Methylene suberic acid 627.5851558 232.478167 436.477474 1000.147328 903.6376861 444.4653188 468.7135049 711.2311835 282.4381587 30.91808113 28.60126012 57.37783106 27.18835293 4.07813e-08 4.07813e-08 70.62758688 4.07813e-08 4.07813e-08 187.3410959 141.5758991 262.8879034 873.3864898 245.6819079 191.4042291 448.7760068 189.1867677 368.6065132 22.70877751 27.76366607 87.05872562 39.08588299 4.07813e-08 29.29794127 29.52062787 4.07813e-08 60.69009648 635.3093772 541.9140618 563.3316357 643.0701381 608.2689038 476.6256817 222.4997208 284.6362268 440.2007778 177.0125262 80.09965602 278.7542475 472.619645 498.4358785 4.07813e-08 432.3268013 4.07813e-08 443.1354797 Cantleyine 1255.950248 701.4134357 1216.032148 1248.250007 1227.618173 1442.118824 1080.203956 1419.861107 774.8161938 422.8675459 413.1330732 442.2302624 198.7526481 88.81905677 232.4911107 1606.137067 398.949702 184.7915967 3111.068374 3864.861137 3423.451888 6979.384636 4040.314154 2697.567319 3773.071896 3621.347455 4664.154587 1164.894966 316.7686474 425.8150607 4.07813e-08 1191.545823 790.7297276 330.6382829 229.154378 117.4582048 1312.574348 3049.345761 3181.901788 3791.786642 3127.231869 5251.535937 2640.780947 2484.463188 7301.582306 2207.978977 1414.589822 1751.814723 2515.285443 3257.759541 1241.357269 2334.228907 2276.877084 1791.783513 Brusatol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5195.672807 6791.306591 14523.84362 4837.418966 13804.08051 4058.982884 6495.68982 2376.197289 5579.573788 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4396.356905 4636.371188 12116.70048 2663.472734 4718.275482 10727.61008 4926.891921 7479.744607 7154.646323 215.5133028 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3625.026759 4.07813e-08 3131.826606 4.07813e-08 Vildagliptin 3249.778872 3370.600379 2013.513944 3687.544214 2305.008787 2844.186565 3965.116684 4567.584432 7964.37942 322.4162138 714.0343742 746.5854449 489.9726899 1017.135826 2171.839742 1212.208745 3785.136018 1990.48116 776.7444988 568.6062294 2389.378829 186.475137 835.0012625 397.8843871 663.4183602 1956.344767 789.8257199 4087.454239 3264.44325 2763.524595 8274.121393 4562.443132 1234.190951 2162.652124 3449.183246 1241.666883 1592.575667 744.1870924 2636.301365 1903.384524 540.6506477 565.8711001 302.8662954 837.2568528 1067.553697 287.7913275 1847.228484 1376.65636 3523.300135 5953.527265 715.5298822 1570.691507 1824.749497 965.9545397 3-(sulfooxy)butanoic acid 4803.639976 5404.397736 3277.681149 4280.375516 2961.542742 1233.722477 6425.635939 3418.879422 1429.957717 1997.707596 2259.392596 2536.77189 2862.141561 837.6777949 221.8309431 882.8669203 762.5699449 1072.682098 1046.248112 776.6404803 2759.777999 18366.42672 110.1685017 4.07813e-08 5640.374492 23689.76764 1288.512381 2398.225488 2244.251849 1630.414052 1795.288596 2876.277936 4549.827394 516.3508915 1097.285441 1625.114441 17589.08174 1893.757627 6485.287477 611.3069865 6967.72334 3873.417125 78.92313926 10127.06401 19081.46017 319.968918 343.3030986 2470.173246 3039.678068 6794.232969 2170.294976 1082.555227 2169.069606 613.9857803 Chitobiose 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1322.086214 873.1592269 1801.776232 3485.483565 1966.103525 945.8208568 11120.914 4638.565786 2327.013531 5077.512077 16735.69148 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66.9356181 4.07813e-08 4.07813e-08 1420.034184 3258.976623 2454.947633 6648.571754 15384.66774 3658.238605 2669.224116 220.3413015 15550.79568 4.07813e-08 349.0153117 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 249.1299352 4.07813e-08 4.07813e-08 4.07813e-08 1410.357418 3430.747416 22331.91344 4.07813e-08 4444.326209 245.5272647 2-Furanmethanol 644.7042179 866.8273088 565.1519499 1021.872944 708.9825598 330.2439048 657.4703715 610.5043362 257.2745474 102.3939104 4.07813e-08 68.49425587 109.7281469 4.07813e-08 129.3859604 4.07813e-08 4.07813e-08 41.27789961 287.5247184 227.1990262 318.8057309 446.340865 167.333241 179.7263965 672.885629 708.8800269 205.0656199 64.58439199 184.287325 4.07813e-08 73.32848787 155.4737109 75.47916434 78.54858078 4.07813e-08 185.1706468 1378.932854 289.1887117 529.7514166 97.67968038 132.0141827 635.7647224 228.4620271 783.8408368 279.7161568 103.5206885 88.78948326 511.0964001 540.6872534 786.5068283 40.14608058 464.8148025 42.80969254 389.9436064 Epicatechin 1118.212588 927.5549083 1863.327458 3654.528177 8069.741334 1578.019212 2429.519972 1132.325555 573.1963963 48.31421464 37.17945177 58.45289206 26.51627479 28.65771555 37.5563836 1.407261709 4.07813e-08 59.29218002 4874.375258 2699.937304 4307.915403 5615.036777 5074.643998 1610.393801 3963.040842 3286.58546 1967.889179 21.02741456 33.75979378 21.38106606 4.07813e-08 11.94772205 233.3406059 78.87559301 51.64370099 15.79588186 2469.187473 541.8029781 2307.673777 4515.580443 4991.259198 6921.780021 927.6772515 1841.737206 6019.626918 1171.289514 1960.674984 2225.194728 5093.257521 2115.179942 37.13116881 4509.67512 38.09329209 3572.093746 4-Hydroxylevamisole Glucuronide 4745.064905 2783.194223 4035.953714 4609.924663 7645.212515 6279.517523 4802.119034 5049.265802 2966.874629 68667.69313 87769.48966 67466.18249 49998.76937 173532.6122 119245.5405 230151.4394 387514.0477 51377.8442 6853.999945 5352.089513 6127.300032 5803.945743 7260.349641 7606.688043 7537.387054 8068.812043 6522.913263 39357.11565 36914.53157 68462.19887 22220.47867 64852.46593 30751.73752 23544.70076 121787.7096 72238.38757 2972.046642 6218.186464 4253.430288 6543.253855 7027.972526 6067.354463 7552.486289 8012.712734 7204.66053 6125.180614 4740.787211 4324.381246 4140.077787 3510.0143 23779.0706 5468.499708 16151.71179 5996.861279 L-Oxalylalbizziine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10085.30876 1342.85864 7497.355005 10985.83879 11263.744 5086.731707 1669.621325 4.07813e-08 9190.037131 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11222.92956 602.8330058 4597.323908 1291.715166 2116.344276 5671.956522 4.07813e-08 6544.458589 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10231.59639 4.07813e-08 3140.759512 4.07813e-08 27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol 33849.97709 56532.43026 59639.60944 54257.99201 65918.28207 27906.82667 46212.62102 48515.53777 47857.07967 35041.96876 24777.8634 41910.72214 38387.99173 40247.54557 57500.52529 29476.76603 149585.7248 93820.53322 27242.18179 19979.74936 23957.9795 43987.4635 27978.56462 25108.09044 37446.51357 29198.38364 22240.32796 63214.884 22492.65449 21561.61109 4736.285889 4524.269379 24823.22593 23450.99114 44244.10536 54446.46285 30339.69647 31737.58256 22694.00312 35786.79718 44848.3377 30630.32975 21452.24866 28186.17634 24926.11348 34316.9229 33945.29531 38283.53279 21525.86002 17957.54398 14492.12608 25254.8267 6107.356941 20618.03015 5-Hydroxy-6-desmethylprimaquine 1650.146469 1773.152651 815.8376285 2121.851179 2941.282161 1462.380804 2108.847428 1985.910497 1817.965243 388.3233716 191.8726021 926.8417916 404.9196241 253.724266 4.07813e-08 356.0781794 636.7235689 854.7871649 3060.670331 3307.719161 3931.550003 3061.897753 4144.902019 2967.735077 3239.953479 8608.704369 6117.882169 984.7038105 595.8672271 682.6476391 188.3263713 770.324292 4.07813e-08 4.07813e-08 352.0505841 4.07813e-08 2259.074551 2600.911607 1575.931451 2575.223351 3416.158679 4306.736016 2488.771813 8135.573341 6065.614023 2502.296056 2188.863007 1448.486384 1616.941134 1037.386556 599.7880505 2750.601953 681.9611568 2529.466911 1-Ethyl-2-benzimidazolinone 1332.825065 1222.644703 1615.411753 2500.401758 3009.103996 1688.234647 1844.64074 946.0357192 1176.05915 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3661.221717 4758.916639 2680.390521 3765.560224 4335.006439 4393.000865 4143.368997 2808.23192 2405.550973 4.07813e-08 80.10743285 4.07813e-08 4.07813e-08 138.5093337 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1386.711074 3750.060723 1418.37028 2737.84709 3953.43861 3810.635432 3276.928821 2075.015493 3818.128416 2344.400115 1766.415468 2390.667086 1384.961762 1988.342798 4.07813e-08 2182.03514 4.07813e-08 1809.23801 Sevoflurane 36246.99023 34915.82454 36394.24365 36195.31684 37360.78907 34498.3672 33430.85951 34617.26322 35753.68632 26921.54156 24696.28914 27448.77633 27586.85567 31314.97357 25312.09374 33061.20216 22667.39646 32428.59026 25122.34796 26339.23747 25012.85784 28833.97376 25938.97722 25307.17569 26139.80436 28608.73118 28257.26571 24304.44847 29706.53554 29592.56615 34727.94554 25778.6528 26247.70616 25388.9976 27914.05392 34755.05093 30847.45207 28023.63457 27075.40435 24240.06714 24118.29311 25337.8943 26239.54119 29978.13258 29242.33494 30312.2279 29305.11109 28102.11048 28607.35729 28361.38648 22896.83951 28466.14853 28990.69364 34088.96402 D-Galactose 455.0698093 708.7832723 532.3550533 213.873492 592.199418 623.1354623 581.9219812 226.280432 397.4919172 1044.31179 1535.911339 949.002961 1144.447704 2918.891244 1737.977958 4.07813e-08 1527.601348 3870.337675 1711.953608 2258.745812 2132.844036 1497.120008 2088.580807 1844.426293 968.0258993 1125.772618 2154.581231 739.7982205 1263.480639 4081.63618 1502.196163 4595.692327 1910.263527 629.5304517 4.07813e-08 5527.78665 1741.179371 1071.7634 1634.174842 1829.400336 2047.569658 2285.824058 1124.164424 1374.533044 2223.839826 1026.853007 1221.01654 1883.656472 1895.033997 2363.465634 3323.061069 1160.395323 354.4391032 665.3755335 Methacrifos 5382.139985 4610.20498 5045.49075 4717.856853 4456.007505 4144.291974 4905.674036 4786.735493 4168.82417 3397.759168 3186.003377 3596.770638 3663.270155 3980.91408 2239.348776 3788.950545 2357.93267 3551.154439 3246.09065 3736.523406 3114.732267 3857.661888 3020.061876 4043.137829 3600.326172 3544.74473 3290.012386 3416.434387 3556.397446 3969.066853 4498.209566 3129.280972 3232.498884 3107.551087 3623.32538 4204.779837 4144.164272 3021.379685 3407.754807 3158.317311 2689.560814 3164.240177 3302.149064 3339.978546 3746.523703 3438.193403 3856.572329 3448.270556 3295.582426 3482.016461 2846.392655 3413.912225 4081.225359 4482.233675 NBD-FTY720 phenoxy 7421.184103 924.1869782 1325.747463 838.8515901 801.2735549 2999.372487 1795.931877 3751.378635 3644.121127 1425.686184 1205.305518 2411.101925 2364.310475 240.1727274 1159.17713 4.07813e-08 2709.219851 1043.59429 11412.82642 10367.06745 9613.643899 8350.382635 13651.98777 11352.394 7624.980543 10694.23165 10194.19103 1154.828348 2962.096326 4938.763116 302.9426095 1303.760467 963.7261734 4593.497373 2159.595793 442.7662732 3158.206206 7009.573942 5350.953455 9838.982504 12768.62463 12018.7045 8959.822413 9079.598223 14524.2513 6726.772202 7294.087794 5020.695424 7993.68696 4556.764413 20210.56697 6904.621401 3982.582768 5557.022975 2-Methoxyestradiol 134.7064242 4.07813e-08 152.3961225 436.3291219 368.1398491 653.4256161 211.9254553 1002.550447 2677.785196 2290.585811 2156.863762 3189.294877 2786.867753 2438.241658 1482.743035 1943.628266 4.07813e-08 13994.22025 1015.633656 941.3845532 431.8257152 1442.492336 965.2521626 900.0961683 830.3624731 933.5308567 1342.113474 4.07813e-08 2194.936101 2940.521157 2948.96762 1846.533912 1687.798703 4172.514835 4.07813e-08 4544.496961 441.9306914 831.2615149 1188.28911 833.9850372 1078.708588 910.4752833 705.9284791 1086.003085 2077.491263 737.3297521 1087.440659 1527.615804 702.6500041 683.4047843 2439.884567 1465.159272 1364.227078 473.8816102 Miglustat 7283.650342 8105.157264 7441.396612 5739.026228 3592.694097 10139.57244 12094.15562 23228.51123 28720.85853 2155.688092 1968.214316 3675.991826 2115.317127 2427.714846 996.0817213 2310.590791 915.5441886 1414.543515 2226.678288 1821.658096 11955.80198 2279.95845 14235.79523 9518.250317 7588.770411 3110.47918 4245.200152 1319.947264 3141.07041 2274.573403 2169.463975 2678.939131 2656.938231 2687.945505 1442.085991 2143.381414 8340.410723 3764.811544 3921.310448 7455.506926 2788.717582 3100.079562 26661.56248 3658.309887 1615.255831 15859.7806 4761.093403 26394.08789 15803.83333 26087.01563 2137.628114 36895.6252 2175.333232 15457.30769 Citronellyl propionate 4619.423585 3888.940422 5190.468466 12862.49129 9334.670471 5772.146566 6695.206006 2193.699985 4830.02987 382.3316449 265.0931368 720.1055216 621.8255723 85.08785056 308.2464241 515.4340273 331.1878429 405.3862963 5154.971662 5208.466698 3090.84457 7855.395778 4826.843223 4764.102969 5419.20687 1583.763318 2306.990556 383.7162475 420.4087767 355.1104541 660.131052 276.5324027 417.1485167 334.1194104 351.412844 618.1257801 3622.168279 7351.96576 5088.267985 4438.854819 6301.58473 7326.607644 4642.221723 2166.605083 1618.439373 6826.833205 5139.934399 9165.232895 4892.589746 2897.655375 59.43938337 7590.171748 320.0188151 3885.039634 Tremetone 1038.306679 384.1470321 1502.8102 949.2302249 1427.902417 1622.764289 2326.297125 4.07813e-08 386.7209434 4.07813e-08 267.284399 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11456.21137 12595.57078 8149.309875 8942.762965 12601.36911 11591.15033 8697.749698 10182.59299 9886.17953 276.6118898 4.07813e-08 1810.459358 4.07813e-08 109.8554146 129.8595675 4.07813e-08 4.07813e-08 4.07813e-08 4364.374799 9896.621735 6975.814138 9130.6756 12597.31846 11217.80905 10613.56843 9006.46424 15470.37317 4578.825253 2374.053189 5375.200578 3906.629222 1572.037796 166.9356 6895.244495 472.5850614 4223.661307 2-Ethyl-3,5-dimethylpyrazine 3151.774963 2547.025406 4037.678097 10919.4197 5318.115943 5217.084191 3976.668443 2377.610858 2723.463419 76.44088294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 68.38348449 84.42439655 4.07813e-08 140.0283895 1926.858955 1676.231632 1552.109818 5008.908325 2615.29932 2721.042359 1425.183465 724.0631211 1638.414583 4.07813e-08 4.07813e-08 128.091711 4.07813e-08 4.07813e-08 68.74391768 4.07813e-08 4.07813e-08 69.2583489 2898.588567 3108.771291 2640.202288 1846.152393 2918.869294 3008.283964 2235.465616 1305.556148 834.2938055 1107.875772 2456.741196 5170.709798 2831.683196 1826.143758 4.07813e-08 2557.509653 4.07813e-08 3117.751135 Dihydrostreptomycin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 263.7577447 1314.613509 1008.888625 4.07813e-08 5151.035802 5057.299293 10296.39496 70495.78173 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33.09099931 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63772.3521 205.8720112 411.8738724 2598.886377 1319.458785 5011.611824 1824.262448 62087.85281 694.6120978 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 230.0280539 4.07813e-08 4.07813e-08 4.07813e-08 454.0593971 4.07813e-08 309.3658538 4.07813e-08 2-Decenoic acid, 9-hydroxy-, [R-(E)]-; (R,E)-(-)-9-Hydroxy-2-dodecenoic acid; (R,E)-9-Hydroxy-2-decenoic acid 8447.998984 6218.85402 7479.777695 10237.12084 10787.49642 11187.98946 9858.799518 6691.36555 6577.087693 108.1162693 70.75529856 435.9649771 4.07813e-08 654.8101615 625.7340716 4.07813e-08 4.07813e-08 4.07813e-08 10876.129 12077.51646 8348.39552 9455.482167 13023.15745 14265.73948 10634.04619 9019.157265 9661.011552 4.07813e-08 316.7504584 306.9076232 4.07813e-08 698.0083742 105.910028 114.4722643 4.07813e-08 164.122477 7802.289288 11945.39907 8745.28813 8543.603673 9498.779351 12633.81915 12671.26508 8990.316662 10585.08139 9225.940892 7699.015631 9153.684903 7381.402772 6096.16797 4.07813e-08 7594.388899 4.07813e-08 6965.931745 Onchidal 8445.018164 11783.47072 4654.274058 8760.147115 4988.195567 10533.98876 20152.7239 2790.555834 14138.8324 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16382.11475 22410.71548 13848.21404 20851.45759 21402.82769 20626.80767 22768.65828 5912.547116 9067.03638 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.794869 4.07813e-08 4.07813e-08 12526.77769 23937.78188 14915.76078 10200.95926 21406.77416 27229.99048 18198.81715 4879.146046 9475.741925 21309.68998 20999.05422 30978.34011 6360.952158 5748.039519 3378.05916 15673.57728 2528.659217 10979.56483 Acetylenic acids; 10-Heptadecen-8-ynoic acid, 7-hydroxy- 50334.16335 40453.786 42198.94554 30279.92083 33746.70495 38329.05455 40150.95454 31095.01809 31933.46295 14986.14967 12653.00351 7590.64873 15924.14689 7855.555383 13895.93838 9335.495276 10084.04402 11168.65791 42655.49558 39224.08164 35231.94597 38019.88585 34273.26105 39314.40531 31101.12791 35455.8801 29147.07765 5065.697135 9139.906398 7979.474964 9235.3784 10446.35321 8592.867792 9658.231185 8813.286773 6783.070543 35366.58622 42871.59933 36141.09814 27991.57833 34947.98714 34035.02782 42471.21197 33562.69982 36903.74538 22421.0782 26766.0813 35190.16916 31124.11893 27370.80551 7014.486926 35041.97535 7166.329349 34817.78211 N-Acetyldemethylphosphinothricin 3904.655661 4417.549225 4389.117422 4581.751519 3883.777745 4046.939602 4386.549424 5099.714867 4638.802843 1935.143481 1462.967821 1623.294181 1841.199813 1458.448533 1184.124201 2777.53341 1563.975496 1419.267721 4066.00172 4416.228963 4230.296565 4190.840105 3279.210144 4309.129727 3999.783995 4867.11254 4795.968031 1527.668462 1768.489926 1919.966212 2289.466843 1892.618741 1902.401346 1448.472832 1951.169717 1727.922273 3159.574693 4253.123663 3906.979617 3187.099465 3994.76495 3894.94892 3948.321007 4237.760558 5132.660685 3048.85328 3513.096175 3913.78594 3737.411794 3169.597275 1455.612336 4081.569847 2376.268158 4046.171424 2-Heptylbenzothiazole 3308.921849 1719.263703 3456.001101 216.2522283 250.7818321 4468.161406 4.07813e-08 4018.14133 3244.784169 3151.221437 355.9997359 27742.79988 2725.806845 36260.34216 25469.06294 15248.18449 23692.29793 34431.88667 1974.892617 401.1067002 3576.998574 308.511495 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 191.3743982 12512.80652 26107.42546 1290.822048 17289.0419 3696.388187 1264.032562 19284.78951 20135.99783 6778.047567 3599.734378 4.07813e-08 5734.734567 679.0925159 136.5639984 123.0522594 4.07813e-08 258.5575624 93.28886826 3619.368398 14478.58279 5342.51429 7779.256192 2591.314736 5789.23728 5923.917492 1048.174391 2797.275889 N-Despropylpergolide 1984.413125 4996.750918 308.034392 6735.073604 1375.325597 1690.768681 5112.853381 6874.577757 4242.102242 20929.48798 6837.216782 9526.284045 18190.28096 8608.829236 24824.96111 2646.734851 9608.066444 34075.88239 7933.963736 5661.952826 3498.51449 12828.17551 10047.76806 2531.092219 5997.782278 656.6992239 4.07813e-08 37300.13298 5266.368102 4847.057891 6797.216412 8666.504251 20648.7916 3134.510475 3303.026367 18031.8222 5517.055799 9073.551656 2179.632158 9238.265379 13112.24928 7710.262093 2239.192659 4.07813e-08 2177.594289 16710.91871 5915.064059 3719.02274 8932.830613 3729.989708 10901.90075 3682.3147 959.6247165 1490.86867 cis-1,2-Dihydro-3-ethylcatechol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115.4076986 323.3385431 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 110.537002 4.07813e-08 4.07813e-08 4.07813e-08 101.125115 4.07813e-08 4.07813e-08 250.227274 252.0309066 120.1341094 4.07813e-08 80.4124757 1038.849955 426.0074402 88.7761149 4.07813e-08 4.07813e-08 4.07813e-08 1440.7012 4.07813e-08 4.07813e-08 4.07813e-08 335.0941128 4.07813e-08 1054.13356 4.07813e-08 207.019482 4.07813e-08 4.07813e-08 104.8791036 4.07813e-08 552.2839048 4.07813e-08 4.07813e-08 4.07813e-08 465.3517301 379.140831 4.07813e-08 4.07813e-08 561.7656913 89.96335757 97.8399333 4.07813e-08 6-Ethylchenodeoxycholic acid 23307.35892 17347.27185 41281.64727 28727.2363 31789.11787 43217.99526 40720.87783 46255.63569 66938.8863 3627.814 10600.06582 73075.95803 3152.778333 83759.06235 68593.6789 49840.25243 296972.8513 101275.177 47598.87716 55620.37305 63145.33267 58897.01848 46240.42229 56352.57345 49140.28873 22562.74969 15325.70987 56784.86311 10661.67605 13798.36897 25374.23339 14690.24095 16630.93504 21452.77492 109886.7294 11208.33834 34732.46588 26864.58781 47911.26015 66227.61995 70714.90909 34402.31386 50405.5617 16961.40576 16304.56825 86740.89675 65601.51244 107575.2252 48938.66769 46922.80485 35797.83672 90541.14013 3457.921726 33497.93568 Epioxylubimin 264.0753667 664.7874417 4.07813e-08 4.07813e-08 244.9277943 245.835518 4.07813e-08 462.8238911 1058.181871 4.07813e-08 4.07813e-08 4.07813e-08 394.1485317 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 433.3717571 1394.596382 3020.178872 1802.940112 1906.627807 2125.169674 1059.411595 1089.851626 2701.722952 1202.959738 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 573.4901538 1302.002536 713.8907816 1820.356941 2369.362796 1221.119888 1435.977357 1849.728724 2197.08238 723.9302977 1396.338795 1605.672208 4.07813e-08 484.8097216 187.8906013 1818.749446 4.07813e-08 4.07813e-08 Hypothiocyanite 16730.10972 17705.73061 18322.82695 20023.46688 21822.70117 17918.94866 16304.03479 15774.12839 16638.7103 15906.85669 15422.97332 13796.78743 15466.09985 17569.96117 12720.1122 12738.53826 12668.29917 16101.45214 13862.13909 14039.93208 12844.37177 15735.87656 14707.19296 14328.94453 14044.87342 15098.58244 14096.66602 12596.19185 15520.86424 14709.54104 17107.14914 11912.16941 14753.29591 13390.71153 14283.60126 19123.34119 13042.56869 12485.07716 12950.69363 14069.96751 13205.13295 14287.71675 14086.98336 14832.07559 16405.31334 16530.89789 14703.95881 13155.85561 13677.3816 15377.57294 11438.33794 16086.77335 16589.12255 17998.04516 Diallyl Trisulfide 1252859.873 1196819.655 1201513.608 1115786.568 1125661.778 981453.473 1113927.179 1091804.473 1158498.787 628443.6351 500068.1303 768936.6023 703302.139 681428.2688 699439.5808 242014.861 541225.8727 766567.7595 1000931.059 883114.6034 866135.1683 979473.1448 772670.6341 967441.05 939179.2635 1042870.237 1035749.97 770933.1048 839934.9733 766358.0893 782223.9268 805436.2577 861217.9323 801472.4497 851585.7285 681182.1533 1147635.816 1121856.404 1142335.776 820124.2383 824310.8608 883012.8111 988843.0453 1210550.298 918332.1133 979629.0939 979272.5684 975912.7015 1085750.552 1061065.439 829456.8514 963581.9869 615244.5275 1053761.659 Carnosine 4.07813e-08 3184.695945 405.9859601 1127.874611 1279.982333 4.07813e-08 566.719385 284.7707933 4.07813e-08 6984.298691 8184.928934 6559.297269 10195.12266 13604.85851 6373.108134 8705.192001 4.07813e-08 4895.400672 280.8623141 523.1838035 4.07813e-08 687.6855279 919.3797607 354.9671496 324.6265485 198.6872617 569.4011729 5796.808624 9904.142208 6668.433654 7761.957737 10680.95348 13168.6731 7247.741735 8335.726865 7003.38681 1633.510632 277.7274672 431.2258385 328.0453054 1061.11088 907.6224048 312.0375136 385.9132414 597.964627 4.07813e-08 4.07813e-08 402.7868726 975.3978485 1737.673368 6749.749522 1067.530749 10251.08624 1723.410111 2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate 2489.548844 26218.72976 4790.993781 6503.340935 8157.250064 46070.38713 2145.536902 8666.504593 5233.725646 25291.33597 31821.05791 38805.53032 28415.17202 27563.0414 8630.512151 24530.63888 19881.18809 37561.05993 6259.334816 1838.760986 26045.29047 2300.608511 6421.544675 7679.374732 4454.42922 2696.936931 6026.378428 38352.13202 33239.62788 40772.18671 28036.77925 40973.90227 25081.4613 6549.197867 18808.74105 27087.91277 17656.15258 3527.698473 3502.461346 26278.54223 5108.686582 5758.870317 9541.977196 3851.321543 2223.365453 2441.801176 582.7871085 3859.068302 8048.509471 27537.35463 37949.11827 5427.992482 50331.5788 2623.029744 5-Hydroxyectoine 48022.89281 74003.80052 31459.41488 52779.32944 55646.80064 37196.0 53396.26558 84058.94441 105885.9833 32865.03491 32877.57723 27770.9696 33294.63769 13537.50518 29094.912 39310.02957 15646.9819 52328.63375 18270.40841 22206.5058 26219.33307 17584.72877 19931.79576 20071.91295 19872.80373 20772.45973 22288.18494 58028.54864 36227.72043 22158.57589 46461.41421 23587.51056 26924.03738 35101.31673 23224.06895 41062.96677 18950.11956 20389.78086 25253.21443 28963.90403 21875.19079 23441.1442 22250.45245 23637.33125 17201.8526 31682.65491 37343.62228 28368.8342 43033.94528 68935.22201 34855.85113 36024.73433 34114.94899 25611.93401 O-Carbamoyl-deacetylcephalosporin C 36305.38273 60905.48399 32571.11719 37677.35691 28204.70731 30101.93249 33689.6247 21408.49129 24334.12659 4.07813e-08 4.07813e-08 894.0480339 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2222.997057 4.07813e-08 40039.96706 46504.94026 29102.31704 46145.5309 47618.77064 58212.88187 63392.43019 30068.6237 26264.79522 458.5478296 1993.649241 4.07813e-08 582.7157942 4.07813e-08 4.07813e-08 245.8176662 4.07813e-08 4.07813e-08 30550.11028 69859.21528 28905.5332 44358.08414 50208.49365 43493.93955 47339.02623 21939.91797 85509.79209 35118.20204 24848.58007 19494.27501 33112.38312 22455.93733 4.07813e-08 28556.56095 4.07813e-08 32195.58204 3-Hydroxy-3-carboxymethyl-adipic acid 4174.678187 4872.683015 6818.408379 11954.80731 6619.001067 3203.434943 2594.662391 2717.707429 1766.682463 4.07813e-08 2048.343763 4853.764019 1966.818582 3419.082367 3359.158067 1783.487735 4.07813e-08 579.9072692 5947.360147 5744.135449 7608.283209 7709.291643 7156.356719 3566.869121 6104.414219 15963.46303 6948.21622 2632.910844 2577.18511 2477.273435 3217.43254 1173.708419 1661.941716 3936.917971 3179.487621 1093.671882 7635.624567 10467.91646 8906.989727 6951.319985 6977.230038 5191.633707 4050.313966 18027.22277 15504.64393 1909.264192 3233.041438 3630.779582 7261.868888 6313.962566 1491.01812 5289.065087 1262.134369 3061.659412 Pydanon 2753.825787 4926.995831 1719.09675 2422.4829 2444.239595 2155.055903 3868.804402 2618.476402 2227.21165 16443.46712 16163.83775 14022.38021 16273.31181 13898.4837 14325.09174 10861.48449 6922.376685 18289.05981 3071.515207 2105.414819 1484.612314 1407.357008 2004.747695 1842.285162 1979.12981 2500.927589 2443.585458 16507.62321 15342.39764 14170.74991 12289.22726 13877.88986 15490.23489 15778.48654 10415.06817 14947.48428 6263.963546 1340.155031 935.4636896 1473.125148 1692.393907 2030.854076 1356.426163 2575.989921 2828.106073 3251.266913 2599.612507 1685.778153 2153.309538 4512.119095 15973.20193 2481.591546 15294.74364 2548.293615 5-Sulfoxymethylfurfural 1040.743804 999.5226988 875.6764969 1082.32717 734.8347033 1073.593591 891.5247791 650.403429 902.2987038 1691.91402 1254.261028 1543.760701 1515.440948 1478.31843 1057.140096 2247.582834 87.4600951 330.111571 728.1747148 1028.301912 567.9659195 688.6718062 948.4681026 591.4877609 785.0429004 117.1419425 384.2185007 1264.266981 1226.866075 1302.541579 380.3588861 771.9762318 1967.846979 1386.925081 1035.00261 1299.627575 805.7979649 834.4400261 729.7546037 743.5477422 564.1129607 1070.733279 502.2696011 4.07813e-08 521.2562318 414.7610203 394.8632685 618.8361772 1555.788942 1390.703452 602.7920031 734.2321224 604.3238115 456.0525844 Oxaloglutarate 272.7833708 558.8753075 321.3170779 236.943007 72.19927754 728.6752445 693.983612 1231.2645 1058.975309 7032.750975 6087.011545 8132.991003 8045.416886 5946.889537 8461.113653 4780.696969 3535.448013 10688.79406 455.7900061 327.8510469 206.4456783 660.3308423 815.0749262 278.0934032 555.2127098 671.4742379 601.3927426 9712.239604 9261.937809 8200.009656 6246.807628 7797.550874 8419.466037 9568.187159 5996.834918 8351.207664 400.0986381 355.321539 598.7457454 271.7507638 831.6981389 256.0150861 560.4648113 172.0743907 767.8357059 799.9882133 648.2427231 534.1418936 383.0272877 1363.799941 10306.2611 366.4016533 8783.66534 534.4345206 Adenosine monophosphate 1993.64179 1106.803564 5059.000028 3357.540601 5777.656797 1205.163652 2318.48994 913.5626704 1183.296891 6096.433511 7146.394526 5793.54903 5933.245685 5533.560391 4048.430034 12508.11077 3810.21148 1571.835828 298.2498593 859.7656833 874.3226732 3592.561569 3331.903364 2314.279141 1229.047698 4.07813e-08 804.844267 2860.971461 1127.098525 55.14608978 1606.915018 211.1124373 228.3504047 101.8384708 6630.656114 5061.518026 156.5111378 875.7235702 1241.078952 1951.949276 2235.333941 2867.960249 976.690813 349.1521245 211.6690967 632.4838844 2814.209322 460.6309818 713.800026 934.8652828 132.8556628 202.3707248 3439.690671 437.6034292 Canavaninosuccinate 0.143148457 8.081646603 4.07813e-08 104.4542982 4.07813e-08 3.749624703 422.4955511 4.07813e-08 16.70033189 7431.40628 6516.436778 10857.66124 6284.243776 3709.11843 7474.653993 5443.209395 1947.565243 4427.160952 4.07813e-08 19.28885043 58.82141558 5.822204 4.07813e-08 0.679932478 5.246621804 4.07813e-08 4.07813e-08 6427.419934 7832.358084 4525.09406 5705.624911 2022.408904 6278.03256 9702.659987 4900.125701 5325.18435 12.47286127 5.73694414 7.59475089 13.21134986 5.826848609 55.62062128 0.280798564 1.624653242 24.16847121 5.237103257 1.961457264 7.637025899 4.07813e-08 1410.637184 4571.768698 52.19127699 5137.183179 1.107056739 D-Thevetose 295.6900557 1203.042612 107.3145111 288.7612486 96.36646204 4.07813e-08 686.419123 475.0044494 579.8373423 6015.832786 3074.153918 4127.892619 5141.280266 558.7457867 4619.403769 3688.666121 1226.582773 1169.025329 111.1260858 259.0927174 4.07813e-08 163.4865909 201.9031191 4.07813e-08 247.9074164 1922.770855 943.6840331 4356.653364 3234.735067 193.564362 2601.621029 574.7535056 1317.814412 4375.997241 2535.990231 2634.280945 1792.251838 979.214321 4.07813e-08 4.07813e-08 198.5966365 4.07813e-08 4.07813e-08 2257.887916 813.254265 4.07813e-08 87.87496191 650.2996621 225.9157747 3014.47518 1255.241782 219.8353765 2050.879175 93.87152764 Threonate 994.9059197 1853.788539 4.07813e-08 311.6101244 4.07813e-08 29.07592115 218.1517128 156.1780814 457.2146897 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40.4478481 4.07813e-08 65.32458135 423.6418959 1289.323245 4.07813e-08 58.09786776 55.37168366 251.5701819 239.8326519 26.94644677 4.07813e-08 4.07813e-08 20.89638245 4.07813e-08 44.71726355 4.07813e-08 52.90082455 53.13355353 4.07813e-08 1404.05988 349.2453773 674.7529993 137.9484258 4.07813e-08 72.34031335 67.53703225 199.7627196 4.07813e-08 65.28637782 88.21097377 322.1848923 410.3896432 1151.067826 4.07813e-08 198.1806666 4.07813e-08 4.07813e-08 Norcotinine 610.0456863 928.168386 1264.641411 545.4979028 1021.284172 2937.148791 2023.327484 1109.732252 1784.43773 26.89606029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1766.291612 2385.434315 2234.138845 1247.135137 4812.252243 3033.013808 1812.588191 1129.535787 3969.930253 62.03192989 4.07813e-08 4.07813e-08 4.07813e-08 23.78962635 4.07813e-08 115.6952106 81.73179859 4.07813e-08 1149.79435 1539.120475 1585.380917 2509.51249 1765.964178 3519.734745 3740.704444 1643.767842 1789.933118 5589.77898 2665.378596 2855.299718 1346.706912 1589.618193 4.07813e-08 1726.646624 4.07813e-08 2276.695428 Piperazine adipate 1414.935225 1412.097754 1065.577455 1864.283079 674.9323356 1101.265549 1521.257942 1328.468704 3115.844677 2860.506215 3592.011504 7030.770913 2463.10361 2650.250197 4430.383881 6775.116863 4742.907422 4427.481745 1657.957083 662.7364014 1551.514135 1496.870013 1662.183312 2459.020939 1828.744115 1135.16075 882.9139493 12358.14644 3982.46437 6664.077388 6464.695241 4622.112865 6825.333828 5252.951983 5514.011604 6498.196285 1245.377505 1066.610141 883.4880781 1337.675031 1056.080618 2061.612761 2180.839604 2358.356052 2393.325703 1361.81039 1805.023126 1123.966966 1097.738035 851.1635793 2875.215379 1408.073185 4277.505983 1351.326249 Pimonidazole 1520.551921 1248.670248 1355.004379 818.9864768 1181.698061 1784.584197 1427.035693 1839.770725 1413.497844 622.7141706 447.5359216 252.4148075 494.8366423 119.0224946 536.958259 72.33947112 331.4829287 452.4016909 3855.385322 4453.81118 3301.476836 2723.197328 3732.628627 4088.763244 3248.185058 4055.567062 4173.377133 751.5331088 745.5847118 136.2339013 616.4435912 1082.902181 742.9315315 951.6831839 229.6241227 318.9337218 1864.564769 3571.465928 2815.623827 3070.942528 3651.961284 3599.856516 3934.689245 3509.137789 5415.06968 2850.121816 2251.839273 2388.93669 1889.349065 1877.766047 1128.948733 1992.294369 514.0228088 2863.744836 Isoamyl isothiocyanate 2515.623872 1936.381608 2745.36809 2138.967124 2541.938024 1756.492333 2393.439025 2224.737275 1408.332718 1046.589314 1270.11327 611.8525181 1289.846285 851.9000999 782.0560235 226.9016691 581.7541923 513.8614792 6617.743909 6413.501367 5939.786711 4684.178661 6140.03373 6253.840084 5918.005376 6509.375437 6512.888159 1284.719961 1022.891712 550.0808785 822.3357039 1655.293343 1037.186334 1609.579951 183.225649 901.3668884 4532.31525 5344.698729 4962.244982 5144.496675 6024.474859 6402.579721 5548.017952 6500.350492 9822.403648 4396.502531 4227.458687 4543.017019 4189.164889 3638.387432 1637.894805 4087.902654 1150.476149 4589.524732 D-2,3-Diketo 4-deoxy-epi-inositol 2572.790399 2606.194562 1996.371848 1834.908337 1458.721779 5387.26886 4571.990025 3391.468748 3019.911443 8346.380627 12447.79474 10148.14499 6700.339011 18277.23763 10301.35451 8633.210026 4974.365873 17327.91465 1458.907154 1526.432243 1285.920091 5332.06871 3465.577692 3070.059264 2625.776862 2554.651001 2039.324518 3487.260614 7240.046829 12979.40738 6818.432722 10024.48115 5559.077947 5927.772086 7801.699231 10974.82644 1625.735805 4977.717861 4261.338295 3052.431768 2429.450995 2152.77204 2064.932078 2305.731987 1466.461506 5908.514614 4996.355084 3678.194024 3021.841817 2350.952223 5789.502302 1895.513165 6924.445944 2106.732744 4-Sulfobenzoate 4.07813e-08 3115.968591 4.07813e-08 56.54216478 69.8642682 4.07813e-08 4.07813e-08 4.07813e-08 60.76648012 9554.304369 7890.398148 802.2932764 13805.43131 717.3093052 1039.542433 430.8824642 636.2259828 407.7942641 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 235.981363 4.07813e-08 700.6455001 526.986324 1834.825529 2225.137381 521.1863158 460.9580067 5849.34278 636.9931342 4823.994191 98.33584167 4.07813e-08 4.07813e-08 50.34823559 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 266.04508 1105.302875 1096.674982 4.07813e-08 2668.860617 122.0309166 Succinylproline 513.6445652 754.0992959 567.7648458 746.7545928 706.0765065 627.5976181 692.0789106 421.124245 939.1752958 423.595911 448.4922206 452.4210419 543.947446 329.9694632 455.0324375 233.0249592 332.1583418 454.8618755 1289.510383 1244.009834 1214.594847 950.5902607 1198.613794 1286.877296 1227.277042 1440.242336 1198.833977 1034.7096 542.8146804 428.681873 387.3274852 550.5562214 818.073232 657.0040999 281.5887819 297.9281046 729.2590121 906.7933735 921.6762834 1094.288646 1033.614624 1130.469212 1110.861533 1391.154768 1603.139827 1190.978996 1247.395431 1026.194374 479.9736755 1105.705726 849.9419673 946.1289144 853.6494302 975.7536897 1-Phenylheptane 7140.616895 4970.696791 7067.626416 5907.433869 5925.71607 3886.021567 6655.77124 6043.13035 5196.637576 3539.125846 3798.280643 4952.131499 4594.379505 5498.059609 4803.936525 6626.471773 3611.416757 3652.571944 3908.189235 5110.073869 4591.2648 5142.633811 4466.360447 4426.793307 4140.070811 5600.983714 4626.198362 4409.271785 4907.317143 3592.118976 6189.482072 4722.215994 4347.098875 4012.735586 23085.57626 6514.313045 5606.271662 5614.475078 4442.247785 2947.871049 5479.674719 4110.647787 4247.548411 5582.121153 4653.793404 4917.185353 4967.880233 4715.553441 4173.051849 4488.193585 2832.082422 3868.630899 4671.349704 3319.674788 Mono-N-desisopropyldisopyramide 5.850675405 19.28372306 1.382406105 29.87184758 36.03312962 61.69623793 41.05580772 205.9041352 80.24469342 1366.349997 4.07813e-08 9276.875582 912.177886 9905.197218 31925.0927 13890.72497 75134.76879 72674.56711 4.07813e-08 4.07813e-08 4.07813e-08 1.150938295 4.07813e-08 8.060123733 4.07813e-08 4.07813e-08 4.07813e-08 8412.503399 3258.942566 602.487093 12349.27402 336.2852262 4.07813e-08 5212.26017 9593.94573 1564.865842 4.07813e-08 18.26620257 0.018643545 5.712897632 4.07813e-08 4.07813e-08 0.446940855 4.07813e-08 4.07813e-08 58.0625612 4.07813e-08 15.4322733 5.713171143 4.07813e-08 1225.604739 2.236961635 281.003993 0.372266145 Bismuth Subsalicylate 72040.74447 72588.57803 72843.86712 70756.80974 75661.76306 76625.32008 75020.32225 74122.69142 73577.65369 55961.24911 54450.3156 54947.74014 51778.71666 61922.91822 51291.43735 69903.9254 51003.52677 63413.66948 53678.17669 57857.17306 57267.00733 63792.13097 59529.06331 61176.4142 61713.41681 62855.94163 59942.33519 49594.51457 58932.39322 55478.27176 69245.96308 52074.29198 54001.95439 51319.29663 62175.78344 65908.73387 66003.63138 56884.91125 59021.56252 54457.04564 54032.7144 60210.11508 60475.62098 65560.83693 59919.33144 67524.36866 69859.23436 59827.76606 61052.33744 57987.70744 48533.6331 61774.37972 59851.12534 78490.40607 Cyclohexanone 1616.883136 1877.1823 2225.298149 1491.147243 1048.17221 1234.56164 1468.49272 1384.640259 1780.23607 1276.702353 1011.57592 1423.845463 1274.948617 1542.908942 1223.447607 1982.544307 1191.164488 1064.121587 1553.747486 1466.407161 1221.145524 1352.5897 1432.932436 1342.270813 1786.841336 1156.903768 1471.826437 1175.601861 1605.414616 1154.99347 1844.091606 1573.67699 1350.718396 965.4957458 4851.802248 2009.474688 1451.307861 1228.599358 1397.483463 1220.874433 1041.90524 1454.8998 1356.070547 1639.331293 1437.043099 1432.751406 1549.574471 1716.942498 1539.45838 1506.617554 1079.322926 1625.523061 1157.466993 1820.574128 4-pyrrolidinopyridine 2223.714817 3871.889967 3218.675602 4047.274816 2256.083478 4246.994841 6793.871518 609.9160229 1783.170716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 352.405834 4.07813e-08 3352.12782 5195.878331 2631.258135 5818.116425 6297.31894 4965.43561 3711.357661 349.8309762 691.2907907 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 117.1917998 4.07813e-08 4.07813e-08 2012.196539 5942.180161 3140.950981 3477.271828 6362.405615 5047.530669 5370.558989 252.1646086 1102.52434 3619.621916 2886.823408 7303.158924 2002.901243 440.9139574 4.07813e-08 3120.897477 4.07813e-08 1525.266983 3,4,5-trihydroxy-6-({3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoyl}oxy)oxane-2-carboxylic acid 35492.25612 37624.91925 33384.72154 42859.58248 34813.85895 37148.18857 29734.08021 36685.35362 33244.15124 28483.69372 21559.71936 27856.54673 28045.63751 31598.06758 22446.9679 32001.27223 29965.39627 33107.75432 26910.60392 24541.33512 25287.08827 28603.75187 26396.87095 27990.06355 26814.00549 30326.22321 25403.3225 24474.91243 23969.50119 22262.89 28474.47092 21331.44889 26912.9187 20657.97031 29458.23384 28247.94771 33271.18868 25957.23772 24909.41617 27948.19217 25681.57736 25623.68293 27193.25666 29899.38128 34854.00203 29259.18985 23415.30183 24876.05068 25431.47945 25276.70659 21340.44002 25069.83325 29127.91586 35536.84649 Shyobunyl acetate 8534.488184 12027.69952 17377.72653 20924.70887 26706.10632 13796.59022 9341.495958 6374.385032 9677.497542 11501.85843 5648.521513 3348.900824 8429.281733 3164.688949 3583.379809 2905.950895 3289.037075 3253.588491 10575.82252 12912.08128 10647.82883 11193.72385 10171.31139 14462.64521 8487.288548 12478.60225 7308.879993 1951.483702 5416.184719 2819.4505 3380.306495 3025.653114 5255.895173 3302.679881 2950.800921 2418.40002 7173.542434 12457.99564 8288.951008 8471.508763 9711.626539 9470.089738 11039.59421 10380.67122 14495.01134 8876.716271 8506.266486 8641.68821 5393.779067 5408.211924 1659.048291 6728.567303 6493.756642 5870.67848 Lupulone 33134.45002 77325.54177 135146.8389 113413.4367 115020.5753 156423.5875 135727.4851 137267.7753 132211.0233 34530.16862 6308.143036 51131.66108 27511.69657 57480.32898 54492.7785 39550.08508 62606.62762 48966.20646 138775.8599 126629.5103 108963.7983 97008.32014 92917.81507 99220.29872 92850.52287 87997.12561 40189.18808 26030.78763 41704.28849 28026.09423 48985.10158 20707.3866 19863.42931 43954.79745 53703.85714 55023.81609 110329.378 53630.11197 106133.1254 77666.10677 101018.4114 78877.80376 85993.03857 71841.79935 30601.78888 200631.3759 181847.1656 151069.2858 111252.7442 69380.85356 32446.05751 145077.9201 20631.90436 126868.9998 Isopentenyl pyrophosphate 611.4585889 881.8258134 1924.788432 1479.660623 811.3440872 5081.358382 1641.296806 3433.726278 3207.606995 1.934386287 25.81403474 0.603314589 92.87882705 4.07813e-08 1.354732451 40.41947568 0.763254692 184.8745815 2391.63402 1928.402227 1843.046617 948.0234499 820.2220523 4269.171878 1928.58766 1645.432394 2432.51985 12.5368794 3.171619748 8.303614911 4.618615268 32.37730945 35.17019006 5.568390218 4.07813e-08 5.410265875 1036.314282 1521.257635 1961.61212 2094.19295 2854.136221 597.861189 4262.410983 2504.144657 741.8214849 8611.085113 2256.486427 3733.983645 1733.950006 1335.592571 37.46191342 3201.845086 13.56440375 3567.679397 6-[5-(carboxymethyl)-2-hydroxyphenoxy]-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 2218.684764 2959.476839 3641.792384 2750.41091 2379.128322 3283.110106 2088.190641 794.3298524 2931.277925 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5303.054541 2841.055981 3567.635303 1712.435063 4643.813588 4701.808769 5416.283832 1377.618773 4713.924789 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4388.298946 4.07813e-08 5110.354158 4.07813e-08 trans-Caffeic acid [apiosyl-(1->6)-glucosyl] 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 3563.143221 3884.134682 10432.56904 3066.653564 12590.05517 4720.010222 7754.353984 15855.2645 17004.18605 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5073.869156 4733.332352 18089.5709 3971.458251 9116.308624 5427.993892 3601.925021 11270.90956 27631.74722 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7216.848672 4.07813e-08 3140.347353 4.07813e-08 2-Hexenoylcarnitine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6662.806631 8892.753567 13897.97531 5777.184775 10753.31903 11966.20304 19095.00971 6059.215098 18784.87284 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3319.248765 9288.396976 9081.831002 9357.046562 11269.61207 6168.292109 25415.06082 4407.860351 17834.30362 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11385.68998 4.07813e-08 122.1598102 4.07813e-08 N2-Fructopyranosylarginine 1268.659645 3263.358374 4.07813e-08 1617.82465 83.90611161 2546.638619 774.069462 1017.573857 4605.765291 936.0629246 1798.592265 647.7726657 3020.444535 2056.403366 114.3316059 4.07813e-08 109.0471846 4.07813e-08 4.07813e-08 59.51361013 484.8058512 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 658.0214093 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1427.707412 4.07813e-08 70.08472389 95.90593044 4.07813e-08 4.07813e-08 205.5461857 211.5049608 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6188.200135 2056.09572 4949.739325 24828.14268 4.07813e-08 1436.314728 5822.89914 2832.829651 Bakers yeast extract 711.4765039 1486.406713 43.24129181 1546.01539 55.66196366 252.4695373 1101.48402 770.9867472 1309.676457 2214.907974 577.454396 1077.928168 1312.263986 0.23630369 516.4756302 109.8042717 161.2496154 81.79488884 121.1504224 132.7098051 148.1396638 7.896900761 67.8734915 432.1744726 40.12720114 572.7202737 254.4446091 1087.144054 445.6547942 14.68306581 486.6711051 180.1324462 1020.585022 1401.876944 492.5169298 92.07490839 394.0297347 115.5536925 275.5836057 278.1080958 40.62726174 292.7809112 213.4046977 177.4700172 73.89488368 260.3532374 144.1735396 338.7512066 498.3515889 1616.341525 287.9612074 219.7408245 1826.394212 231.102903 7-Oxoheptanoic acid 1968.998834 2739.778857 1752.029463 1926.77606 2135.482446 1542.370801 1861.321832 1858.652707 2117.933722 1570.072995 1688.382108 1492.950413 1798.010277 1600.503943 1724.887874 1246.837226 838.3185042 1432.13476 3122.093431 1780.897457 4549.791631 1784.90783 2058.225276 1625.462356 2228.303123 2288.715238 1691.189622 1547.647521 1624.548728 1467.518261 1501.197992 1570.189834 1502.565979 1857.535761 1391.140469 2132.72291 2731.01437 1366.756275 2508.124468 3335.411977 1545.838075 2392.104304 1463.998333 2320.499852 3128.985316 1362.434946 1535.27392 1775.772265 2220.599496 6963.741782 1722.452557 2052.246922 1430.706775 1787.300727 N-Deschlorobenzoyl indomethacin 1251.011145 1895.00506 948.7570797 2242.175424 938.8912979 603.31947 966.2306885 891.240139 664.8344328 2727.383078 1407.130515 2685.126738 2520.956092 2257.149145 2196.109124 1394.746129 628.9397267 1223.66127 2801.464444 1872.678364 2617.588288 2594.941447 1602.60871 1952.500734 1256.716861 3481.650667 619.0064958 1899.012124 1983.864082 1639.381346 1666.273731 2268.59252 2215.32666 2447.454955 1116.634004 2307.826715 2230.573676 2054.565932 1942.417616 1292.21599 2146.956269 1807.175631 1567.754439 3644.359167 2223.538788 52.83107122 278.6547105 990.7244139 1029.914856 1912.779411 2236.744398 598.8586126 1066.031519 606.2561014 Aspidinol 296.1333561 1029.915057 1504.98324 1717.713777 1126.463537 577.8380567 418.3434374 609.8018127 1484.244224 3266.61203 3192.021431 7556.141516 3336.501881 5457.05274 3118.60908 3424.945628 1400.869593 4098.927302 1247.979494 1070.688674 1387.159909 827.4001117 1178.613292 814.1550745 1004.963922 1398.82017 1896.919159 2934.420911 3541.092881 5463.371201 2026.936984 3406.575271 6204.195182 4453.809917 3638.507702 6778.805135 1249.524367 710.2219726 749.0750314 966.0208168 824.0105941 1683.749189 1020.970831 1690.99061 2172.501435 846.9308005 587.6585123 973.1881904 1357.39154 981.8432725 4074.19343 1208.976306 2758.641564 1000.162775 N-butyryl-L-Homocysteine thiolactone 300.2369231 311.8514844 4.07813e-08 636.6861782 417.6470349 37.57501139 192.6956177 211.2960596 4.07813e-08 76.50666738 4.07813e-08 216.33227 42.70675578 92.93926864 4.07813e-08 110.0958997 67.55983863 103.6189052 616.2146853 304.8963231 418.9151051 734.8249691 874.243563 683.1491267 452.6159968 365.2985233 352.4411592 70.328721 95.70638755 113.9528445 162.7274798 251.7768136 226.9035868 338.8996926 33.26732329 105.6884116 275.4673801 461.5169939 288.0035894 288.8998223 804.8651741 877.3914715 353.5511267 506.2654877 514.1484848 110.5103997 74.07399619 180.4524872 226.8106354 245.0127326 260.1229238 183.6359982 119.0684151 191.9916877 4-Hydroxyphenylacetylglutamic acid 74.42335807 133.1440572 66.76215653 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 294.3486802 4.07813e-08 1027.977381 681.9081513 680.6511934 924.2951935 758.9481138 1133.70357 912.3263937 994.078577 611.9869878 49.45968143 55.0860907 225.8014564 4.07813e-08 108.6187228 135.2701266 278.6302919 204.7890106 396.6582912 1464.500912 686.9299215 529.9329645 1159.810145 824.1982955 1571.614578 935.2878434 303.0220538 724.6245325 37.0029224 56.1964323 78.33703259 127.8274459 4.07813e-08 4.07813e-08 150.3496566 4.07813e-08 12.87060046 259.2627908 124.2609074 225.868821 111.1563226 463.251879 541.0691093 73.12270537 307.1426538 220.2870556 ZAPA 36533.82805 27010.27303 27027.60327 32252.5742 25626.01121 20244.37014 22782.5862 23822.69951 17225.1158 3316.491479 3163.711806 2593.299324 2949.64552 3862.672324 3286.797308 2568.107521 2684.865653 3621.864194 24940.51296 25563.51635 26744.25597 33676.73638 25291.20203 10720.69225 32365.55117 35153.13577 16404.26679 3251.992677 3996.056386 4174.40526 4327.402546 5375.97885 5236.11468 3805.730935 2823.230986 4057.064652 34339.72047 26728.12122 30574.44976 16662.54102 31525.1887 29563.37587 11623.66553 30621.78027 43040.14164 8781.691891 12059.21512 19251.34788 29467.83745 18953.34956 4711.107045 17138.73929 2408.150859 20425.08699 Dimethyl suberate 950.2560574 877.7460388 902.6014577 884.1816842 1416.774632 1256.149607 935.7432134 682.5784709 1077.230628 418.0045791 366.446052 156.5286192 221.8367407 215.9950305 240.8524296 222.0748672 123.2597831 404.2220132 1334.589854 2079.780208 1421.685665 1069.411549 2014.965271 1722.576109 1708.329349 1240.238033 1539.340765 39.8661227 315.2241375 93.55582721 176.1199503 258.9838119 221.3123267 167.4816533 244.0600849 391.6367066 715.3052339 1116.511318 1026.762306 1676.401343 1457.206932 2140.889542 1857.729578 1466.543825 1051.247045 1422.048483 1453.675119 1404.321417 922.2678836 1081.394678 290.3698861 1394.426725 46.38367719 961.7095309 Poly-N-acetyllactosamine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.61292525 208.580327 4.07813e-08 0.010782152 85.31850619 3412.397017 1906.72716 2725.462104 2881.301131 1196.762312 2864.694744 535.8901071 2084.453071 3575.277631 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 342.0797625 4.07813e-08 83.42251441 4.07813e-08 132.6921508 4096.431926 2804.982672 845.4600317 2241.396642 4318.594277 1576.424049 4789.284577 659.0155898 1204.178215 0.009457303 4.07813e-08 4.07813e-08 189.7570629 59.7020826 4.07813e-08 86.40674184 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 64.64545094 4.07813e-08 5944.814309 4.07813e-08 3847.362727 4.07813e-08 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 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 18239.28413 15890.57429 13226.62305 15911.81556 10666.62207 15689.84288 9443.914653 7379.351385 14768.0409 5.908044964 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20604.43389 15017.79484 14707.7548 10123.71993 22456.25055 26117.80869 16882.20147 9923.651589 15383.33622 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16990.11454 4.07813e-08 19371.32814 4.07813e-08 Olanzapine 4.07813e-08 283.8605127 4.07813e-08 4.07813e-08 189.8218398 4.07813e-08 4.07813e-08 240.671244 4.07813e-08 4756.491149 4438.7645 4928.147218 3860.952972 5577.218294 7101.903956 2276.21175 25063.22162 8165.680752 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12355.03942 6736.6979 3156.516479 4498.225708 7319.210499 4508.86296 4892.560157 15144.77521 4352.725736 4.07813e-08 4.07813e-08 175.3246852 4.07813e-08 4.07813e-08 131.5532224 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 207.743592 4.07813e-08 4.07813e-08 1177.843406 2766.192747 4.07813e-08 333.4522733 4.07813e-08 5-Aminoimidazole ribonucleotide 1691.207978 1759.27198 1570.749329 1402.673373 1408.419221 1258.494679 1128.170881 2026.632277 1909.467729 448.3443463 460.4867131 634.8455692 400.4408271 954.904059 538.1173679 718.4442428 1257.914375 1213.193528 2639.319548 3417.269072 2056.484569 2272.446189 2305.636363 2240.422331 1649.874532 2266.509411 2353.387389 691.7698155 768.864101 1328.981908 534.6305012 1272.185345 407.4415222 710.1609385 1084.371047 1744.193903 1699.525019 2087.701259 1693.106905 1694.833831 2031.910191 2611.13152 1711.553714 2935.643531 2038.706785 3433.576477 2232.970841 2549.743028 2235.10261 2004.537121 872.4794166 2032.710834 402.2354915 1798.358233 Nedocromil 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2991.256411 2717.958186 3645.117098 3017.876474 3439.103637 1710.91222 1392.773023 2385.447702 5654.930359 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3311.398469 4030.985968 2483.235968 2928.344503 5029.902733 2615.366131 4588.713187 2129.011693 1987.595155 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4794.09264 4.07813e-08 2854.206934 4.07813e-08 PIROMIDIC ACID 4260.286586 4741.863475 5230.65965 5695.31418 6984.515104 4870.368818 5764.685806 5831.577235 3793.217068 564.2608796 452.0068543 884.9823128 532.663839 756.4002774 749.7491746 488.8621588 273.1513212 1275.688538 12349.81862 12094.57778 11473.37233 9313.802114 13539.02103 12501.90571 11176.44604 11818.38918 14529.60934 723.2254702 1408.693169 643.4078972 795.7946682 1619.698551 1196.9282 1068.033486 650.8783037 1347.360284 9667.321937 8789.46715 8712.475153 9873.922433 10645.84009 13542.36045 10791.87474 13013.7145 15961.193 10283.61271 8108.832611 7824.448005 7622.460904 8834.672332 1638.198801 8495.64229 917.1551585 9699.537972 [6]-Gingerdiol 5-O-beta-D-glucopyranoside 2019.414578 21464.60181 509.2827378 1925.698832 857.300303 783.9842048 4401.909576 12994.32671 6705.28307 55.36589571 50.93082857 768.1255096 84.14194334 4.07813e-08 2767.181781 4.563807285 9.31592365 147.32637 760.6718385 414.5495029 1383.370914 3016.464602 252.3775092 256.8276636 2276.602813 390.3230466 220.494678 149.714697 116.9646536 8.695248675 4.07813e-08 4.07813e-08 4.07813e-08 38.20740005 4.07813e-08 4.07813e-08 36420.56372 382.7077231 297.7831054 111.5846819 210.6126691 321.7298642 167.5506167 212.4005283 284.6757241 169.6831767 1730.705174 1129.279216 13189.12751 12779.50134 4.07813e-08 2764.860398 2.41978216 715.8193103 Loganate 245.6879359 1108.865261 103.5885333 45.51973477 176.6279417 250.9276606 318.0257822 503.5711172 956.12501 2503.219253 2813.905945 1512.053193 2552.111302 991.5535234 1656.773533 2371.730379 3448.328869 1808.791151 1048.471703 1135.232327 896.8923071 13.63391515 1434.473521 700.324688 580.2758678 124.406063 846.9345432 5054.178614 1904.344702 2722.790797 1474.147799 4355.301686 2615.236254 1997.284714 2201.987931 1664.358844 1678.702012 33.50624344 4.07813e-08 981.23885 539.0199529 162.6896654 63.71084151 1261.331111 428.632619 207.6776167 371.4428412 446.0130915 424.8727301 1208.888755 2577.708716 892.1730883 5488.520562 416.983649 Mescaline 227.5319096 365.0569397 393.7965892 384.5046192 370.0958256 213.9689386 332.4333136 508.7711588 586.1984953 546.6936423 183.2137024 840.2296716 817.2797757 388.9389643 326.5636713 248.2885168 171.8524559 325.7440766 149.5797892 160.9217079 475.9568984 284.0344966 431.4514253 142.1219379 927.9003778 742.0241784 538.5219546 706.7926362 577.4311985 456.0889556 449.087431 189.9435362 607.0325032 668.4785112 219.7935802 353.3946734 538.1937067 157.5582562 237.5212685 369.290937 130.7555252 461.0414891 266.791153 686.6747413 78.54656341 333.4259525 342.0968938 303.117775 439.1569184 450.9615335 248.8677697 291.3470698 643.8312929 482.182666 CAY10562 605.0294166 379.4684735 2952.645389 3894.166681 823.9460096 3730.188629 1417.170497 1577.488889 1523.769741 3075.398705 697.9982497 1821.202636 2794.643913 634.7717445 1.006954054 3774.92234 341.2204029 2103.974639 6910.466637 5762.732405 1845.77443 5390.250604 2901.051227 7458.427761 3252.528049 9566.26511 5772.162238 1802.464206 2789.109367 14599.47069 13510.6796 7167.301466 541.1733843 5456.86341 551.2651127 11945.22228 6540.473252 2064.266628 2525.925521 4231.681737 4841.930286 3503.252344 5964.933878 7869.502934 4099.574596 6532.877155 5087.468138 7922.453125 5392.235306 4924.177236 7028.682016 9495.393036 14632.74185 8634.484747 Isorhamnetin 7-alpha-D-Glucosamine 831.3875196 2395.326751 1427.291103 3554.817811 1332.860083 1001.147136 1396.969689 1986.876535 1750.269213 5493.031805 6379.177671 7501.482129 4965.301813 7186.754504 8261.960068 4372.303413 5349.367898 5664.135858 918.1115172 4.07813e-08 266.8495348 1680.477798 4.07813e-08 73.24307504 1181.213055 6241.772162 483.071522 5188.370497 9196.007305 6853.230378 8971.570742 11139.24414 10094.46061 4029.997406 8950.802754 5470.088889 6056.458776 1919.185659 1660.122375 4.07813e-08 4.07813e-08 213.966014 4.07813e-08 4136.86327 1452.085479 4.07813e-08 4.07813e-08 508.4858935 1423.881142 2543.606337 4855.480934 748.4976523 6300.763549 253.2857375 7-(3-Methylbut-2-enyl)-L-tryptophan 2164.435836 1251.891314 970.9244493 853.798838 989.6187537 1037.854704 3101.756442 2248.143716 1580.278007 205.5180489 59.60507658 6.583091544 89.87189854 25.24645494 284.5160915 4.07813e-08 4.07813e-08 213.0419536 2435.78903 5282.396435 3216.570867 3250.936761 4931.048848 10715.64256 3986.328651 3800.840589 4056.657109 597.3389107 491.8896053 20.9316327 1040.586277 424.2263107 460.9456149 1340.899305 354.5227416 277.9451907 2839.079862 4054.283641 3222.450167 2598.375056 2605.85651 2629.213027 10795.44669 3512.591821 4985.465154 4470.487972 3282.504141 1923.655216 1517.531348 1670.988223 389.2371712 1464.867581 570.990148 7682.093089 3,4,5-trihydroxy-6-{[3-hydroxy-2-(phenylmethylidene)heptyl]oxy}oxane-2-carboxylic acid 4.07813e-08 364.5742494 4.07813e-08 1.098856903 4.07813e-08 178.6669052 419.4848732 4.07813e-08 499.9933954 7694.559403 7408.662627 7512.748454 8009.689318 5355.091646 5613.228852 6255.603351 6585.553111 8172.757064 804.6822659 1216.994435 548.2617615 198.2760055 402.0912866 744.9793322 844.6369557 852.7899244 1094.614101 8123.220537 6005.246436 6081.041964 4191.340254 8857.332286 8009.757077 9076.062304 5989.186595 5758.817569 4.07813e-08 172.2858994 122.3207373 67.02815759 658.09211 1247.099155 463.5358615 43.43788107 1631.255026 4.07813e-08 144.9977598 4.07813e-08 1.605202598 443.92726 10105.87359 406.3656363 10591.81666 353.331438 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3640.677076 2234.98487 3304.657608 2992.111536 5321.399799 2827.291289 4556.521287 8325.68195 2460.437908 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3841.143844 2514.944174 2426.414899 2394.996709 2596.466607 2082.405811 2928.320269 5758.521791 4158.786109 4.07813e-08 4.07813e-08 0.855819876 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2027.406004 4.07813e-08 550.7767356 4.07813e-08 3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 141.5056109 484.4465129 1159.810652 1953.291538 1852.993666 1680.189097 1358.62703 1384.902375 1029.331522 269.570158 76.32291191 37.45608601 279.2086948 51.24368112 249.9018132 4.07813e-08 4.07813e-08 245.9904754 2028.865757 2390.236347 2852.38199 2810.246837 2936.036463 2761.568965 2539.186787 1817.199627 2953.481388 97.2363102 4.07813e-08 154.1629287 0.06412433 294.3681806 141.7639356 115.108279 4.07813e-08 408.4720659 1419.125811 1368.612285 1731.740354 2695.6851 2353.084455 2937.119092 2882.570352 2239.580101 2885.139172 2771.369099 1311.673276 1364.553489 1720.089534 1694.45249 116.461432 1530.141493 104.9265799 1670.9214 Tetracenomycin F2 4.07813e-08 4.07813e-08 143.8015511 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 467.8732976 4442.19183 300.6202171 327.9606018 657.5181358 430.5591923 5549.153326 3149.085859 4.07813e-08 1436.540752 683.3978988 1074.408079 1250.876083 2514.626211 550.4074562 835.4565469 976.471018 2812.30801 3436.877351 144.6974095 6307.943357 2000.628052 8343.603218 5107.515417 1279.00981 3006.95043 1204.814428 1158.150683 285.8025024 420.4385341 1415.792791 1627.821427 2095.851971 4.07813e-08 235.5939656 409.6330349 4.07813e-08 4.07813e-08 658.938103 1448.669017 499.7208156 1875.268508 454.0604396 5243.83066 129.7159577 CAY10574 3166.441966 1902.501364 2378.764316 4010.853385 6907.500538 4500.764492 2621.906381 2527.481595 4355.059536 186.8581678 46.4081946 4.07813e-08 145.247413 4.07813e-08 12.29499014 4.07813e-08 91.50131472 64.39002189 5192.788564 5710.272357 4074.634254 4508.846506 7157.212831 7972.937654 4535.470341 3259.275762 6987.718339 145.5710345 246.3522355 52.00180182 188.1379966 107.6361689 115.2360199 164.0009684 4.07813e-08 51.96616222 2909.200658 4238.5823 3943.604922 4394.956532 4569.671869 5163.103844 8005.373407 4498.686208 6278.955255 7130.45779 4607.390514 4514.953046 3458.246828 3238.273322 46.81989831 4495.479312 4.07813e-08 4057.94358 9,15-dioxo-11R-hydroxy-2,3,4,5-tetranor-prostan-1,20-dioic acid 159.4404088 117.53286 4.07813e-08 4.07813e-08 60.33919437 4.07813e-08 4.07813e-08 341.7240571 319.2256835 1290.947385 8012.605837 979.5915571 919.7735168 340.8003946 1413.864647 18024.60153 35187.35099 616.4160447 798.3411466 651.2288716 374.5228314 285.9784281 462.0231016 574.8874582 249.6354176 622.663054 461.4857867 19944.56131 862.304411 18028.11325 503.8817888 21795.88265 8696.401569 1314.869216 15039.31111 2120.458106 208.0060256 82.11613242 340.4261505 132.2677189 407.9694273 292.0178003 200.857208 344.4154206 374.7519341 419.2435693 311.7139464 176.6325323 248.0908308 615.2807741 3784.146631 95.35533987 16501.05907 184.4082698 5(S),6(R)-7-trihydroxymethyl Heptanoate 346007.956 226193.6059 250927.5444 257405.519 219946.9881 238576.309 410639.3529 190194.7272 181540.9249 122127.1123 119995.8921 114219.7744 125395.7783 169371.4704 141883.9065 146088.6044 100670.7965 139630.9556 222447.9448 216227.8478 215638.2649 210420.9191 237593.2109 219192.8988 199205.6876 226093.3799 232231.174 102345.0379 125290.4676 116715.5818 136830.9445 112978.8117 113941.4828 144394.0918 119450.3282 141521.9897 239633.6742 210406.1601 201192.822 190144.0504 199397.2611 219373.1867 226395.6244 224533.1727 246283.9321 222461.3369 180435.5142 184677.9216 180558.8636 178460.7685 97825.90506 207130.3912 117972.6282 258434.3275 Phosphophosphinate 1270.539722 406.9197415 622.5177696 552.1527063 552.1520778 871.7591255 852.0969511 577.7933869 447.4645683 145.7883943 86.45369643 0.539384731 4.07813e-08 64.83533694 64.99703701 124.7386601 4.07813e-08 0.703164483 533.5468474 1066.392024 823.9980971 856.1526791 750.0261068 1097.121484 720.9734922 1404.45077 1207.232109 0.379213722 0.055286479 0.315629003 9.765579137 52.6617103 18.92388356 14.15066899 0.429303626 0.399576297 563.2646662 857.2810843 705.4594956 785.2231699 773.0901555 814.4520422 1087.698276 866.3594473 1454.952676 845.6930274 522.8735233 753.7962502 671.0983325 493.7221859 4.07813e-08 926.1905192 4.07813e-08 965.1261979 Epoxy-hexobarbital 566.0125039 271.2205867 471.3025802 355.547737 566.5923296 575.6184175 460.3391023 584.5157328 477.69067 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1353.525408 2151.024972 156.9992524 916.4716834 1883.968252 2137.240259 1444.260081 1197.3708 2216.449361 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 911.3297173 1334.210145 479.8468179 921.4698234 1271.695013 1854.375266 2401.868363 1014.64195 2039.922966 1662.666401 1402.825146 892.3404874 504.4361706 291.2878099 4.07813e-08 722.9345845 4.07813e-08 1404.897025 2-Methyl-5-hydroxytryptamine 4.07813e-08 1496.148888 1025.420093 1307.16907 1145.698644 723.2606792 1917.863265 1065.187115 415.3686605 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.14018078 4.07813e-08 1634.488856 2250.490913 2916.086153 3151.339951 1662.810222 2918.816459 3595.73825 2672.523462 2748.678291 100.8118052 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1890.43526 1855.886914 2850.920561 4090.468479 4538.524108 719.6889842 3239.344682 2864.893256 6634.173882 6116.956186 2163.74918 1334.372155 988.3402977 2128.430028 1452.366688 435.7251814 4.07813e-08 589.4185064 Potassium 2-(1'-ethoxy) ethoxypropanoate 4290.006754 2393.925486 5342.718037 5067.290574 7228.230846 6234.402536 4744.787172 5353.056103 6282.4023 4.169046129 4.07813e-08 0.941328145 4.07813e-08 4.07813e-08 0.008751986 4.07813e-08 306.9812488 4.07813e-08 7849.399253 9487.450152 7638.923937 8705.323473 10490.84248 8072.28822 8496.193067 7579.80888 9665.453548 4.07813e-08 4.07813e-08 3.750330514 4.07813e-08 4.07813e-08 9.803079332 4.07813e-08 4.07813e-08 2.593664015 3341.123429 6999.785484 6116.468464 8453.364333 9378.897526 8534.837219 7612.142624 7419.751966 9370.542794 4164.674529 3187.073053 5815.711133 4612.996529 2789.495262 4.07813e-08 4866.486047 4.07813e-08 4531.874872 Kikkanol A 3194.151334 2627.988911 3465.128476 2818.730422 4549.753337 3389.952566 3504.718763 4314.780097 4467.440928 394.6594603 424.6562747 425.2165989 405.7748994 372.7125726 243.6477258 136.9156997 173.2456939 1417.536827 8916.735731 8361.524428 7391.001663 8112.199015 9861.606111 8752.735781 7075.663485 8238.527238 7806.940895 593.7299246 650.412773 407.6287519 545.6158814 716.3251964 322.831325 712.464457 73.8581339 745.018237 4509.868684 6455.654529 5304.573735 6675.711249 8219.443447 8970.170044 8331.383661 7763.678048 10947.7764 7941.587326 5911.303234 5607.499194 4293.251628 4440.859659 873.7441447 4964.758025 321.0127059 6642.623666 Adefovir 60.41632621 419.4373833 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 123.1536597 4.07813e-08 902.9641324 2039.383575 2934.679377 1531.270886 1697.174845 1924.990372 2226.869369 7544.156162 1759.048817 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 57.85261415 2108.034665 4.07813e-08 1662.074745 2920.283797 2666.300145 2034.03573 4906.616299 2187.321374 66.15717003 3695.357788 4024.785254 883.2719644 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1812.068047 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 71.40040005 93.19486949 2288.677648 4.07813e-08 1535.823106 69.8643871 ANTU 3629.886542 8100.099181 5296.896009 9466.148867 8276.34986 5295.651332 10526.36204 7582.093953 5557.534773 1569.25394 1438.483268 2079.407324 1184.663392 2259.829496 1370.677081 1595.915141 928.1674734 1504.465621 1284.633863 941.5037844 1819.585593 3106.724102 539.3693321 4.07813e-08 3444.734778 1917.589617 855.7886384 1540.723353 2094.32037 2426.217699 1195.092357 2340.352274 1898.269184 2743.933024 985.7016282 1675.381432 24388.2973 1283.924972 3056.992124 1420.662537 1021.375881 2028.685669 180.3505607 1625.24736 5395.760217 652.7837987 1303.816004 2632.572928 4478.104021 6116.030757 1989.70795 2612.03115 1377.031913 3118.387113 Anatoxin a(s) 1343.128183 719.622749 1222.312185 1062.433449 2010.22195 379.267683 461.2487967 1668.381631 1494.007924 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1361.016716 435.1384235 1074.972619 846.6059659 313.9614431 156.1593583 913.6335778 539.1843849 457.0463046 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1110.015443 308.5542361 765.275957 733.3355259 760.5952183 612.5618292 91.31248229 402.0774202 448.7016238 24.90603447 247.9335097 562.6172454 793.4742097 429.4825994 4.07813e-08 837.4104015 4.07813e-08 269.7036664 Alosetron 2485.708832 1719.989768 2140.965563 2198.772733 2644.587594 2777.945387 4543.647152 2638.923871 2015.633848 4.07813e-08 75.63714787 4.07813e-08 4.07813e-08 4.07813e-08 83.54104082 4.07813e-08 4.07813e-08 4.07813e-08 5411.144295 5993.872413 5232.814537 3459.870372 7029.201081 8373.926524 5925.906433 4616.34986 5623.743773 103.8917673 4.07813e-08 110.2830276 4.07813e-08 151.757819 4.07813e-08 183.249866 4.07813e-08 4.07813e-08 4325.835865 3141.947042 3614.710965 5185.181838 6383.178019 6439.57117 7163.235356 4872.671658 5847.934613 5276.759806 3867.474792 5026.629299 3416.401881 4205.080964 1888.685957 4623.397768 597.9704892 4415.3796 AVOCADYNONE ACETATE 2640.924055 2546.90812 4136.441704 12997.43353 5918.106182 1346.402271 6125.865676 6289.601722 5607.415571 570.0789787 1340.80268 1551.413999 1142.26604 145.238614 744.2254935 88.56246394 152.0369056 1811.264512 7379.729175 8265.001124 10717.84773 15459.22969 10762.2934 7110.944343 10940.01281 6198.983137 4213.661912 384.8440537 1309.887498 2515.703569 543.8533686 630.2505701 429.1601304 530.4170317 83.24330277 676.2114735 4600.722957 4633.181744 6897.695429 7708.016043 19479.59755 10316.30969 6025.62065 5531.293383 8862.855183 8448.239388 10030.98059 9121.583102 6540.026064 6873.279794 3004.873016 5732.287844 470.5477925 4629.050348 N-Acetyl-leu-leu-tyr-amide 508.9169382 2430.059078 118.321159 120.5408719 4.07813e-08 4.07813e-08 619.050435 1245.830797 2662.407337 12908.52652 20167.52016 9089.452255 11044.95966 5121.005711 16598.12147 20889.91861 7829.432246 9650.131566 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 118.6296591 223.7659951 4.07813e-08 4.07813e-08 4152.812379 11751.82895 5014.290508 17620.43574 5117.116011 12276.22156 21675.16344 9493.688069 7566.902609 260.105554 4.07813e-08 89.06965237 4.07813e-08 4.07813e-08 4.07813e-08 8.402210831 4.07813e-08 4.07813e-08 4.07813e-08 137.9653646 4.07813e-08 132.0325301 1535.317159 4269.915788 4.07813e-08 4144.970754 4.07813e-08 Firocoxib 113.884063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.033471633 4.809341707 13.42273168 4.07813e-08 5.050621812 40.00141939 34.70581729 4.07813e-08 4.803030925 4.07813e-08 15.40031655 4.07813e-08 80.32963305 76.51982131 40.94780198 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.75228874 4.07813e-08 79.34040843 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 89.74117166 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49.43501155 4.07813e-08 244.0642337 4.07813e-08 99.52063803 4.07813e-08 23836.06845 4.07813e-08 15830.28376 4.07813e-08 Meperidinic acid 147.6635806 454.7213985 4.07813e-08 4.07813e-08 59.10077147 56.06143172 301.8861259 649.0567215 631.7650363 2804.736416 1461.177456 3542.863008 2723.654389 2687.384732 1473.92317 1755.439099 1435.234399 2658.039354 159.5954745 425.5220166 1818.498921 149.0948991 1367.524614 576.4544075 667.7738104 606.7256932 511.0023119 2267.680052 3123.300932 2798.894061 2085.32107 1730.886311 1481.338384 2240.640681 1743.355196 2416.863404 604.0477616 185.8094713 346.8595684 645.9296147 541.7642582 943.7530663 1401.681949 757.2541922 414.1678956 778.4493636 140.000118 379.0140859 380.0025023 728.7497979 2191.58994 416.1512752 874.178545 661.4163053 Unshuoside A 7642.503202 11952.71265 9255.034887 11152.58111 11502.62909 10744.05286 16138.06205 2030.208873 5986.204504 218.2689579 226.9370244 72.34650708 325.8365195 4.07813e-08 528.6990855 4.07813e-08 4.07813e-08 244.4187927 13713.09812 15335.4031 14043.06059 16416.21483 32100.507 14103.04109 23764.05488 4945.802894 7131.930626 4.07813e-08 364.0634685 112.563055 278.1154094 317.9458343 4.07813e-08 232.0272176 111.0164835 326.0431873 5965.080255 13701.86422 11025.6638 10055.02719 18297.30871 26224.80783 12777.18526 3548.038772 8750.344106 12516.40925 8709.894325 15318.11785 6098.901329 4622.719772 81.5051158 12658.13625 4.07813e-08 3014.70305 PA(20:3(8Z,11Z,14Z)/0:0) 3048.173985 1761.606556 3020.801467 2342.347984 1374.111294 1888.826794 1135.368236 3165.460121 2366.921762 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3890.539067 2716.394747 1956.139234 5323.53549 464.798991 177.9923739 2130.779445 1982.248192 1607.815896 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4219.770512 2699.934411 3494.838623 1212.658142 3712.727342 1984.391306 180.0074604 988.4535027 3574.124213 4.07813e-08 576.2059247 1384.917795 3009.109486 2044.356285 4.07813e-08 1377.244617 4.07813e-08 611.6499287 Chandalone 84337.01696 106912.5599 119700.3564 128409.2806 162199.47 184047.5345 170034.3927 119714.0341 69453.17006 963.7808287 2506.485889 353.7394176 413.2971584 351.1113253 800.7244428 5044.788754 8092.251412 652.6935923 75223.8335 120596.1869 86663.92929 87700.33741 94162.07356 85194.3374 101091.0588 99320.90442 116759.0828 2733.335647 533.1994816 4403.343972 1320.726052 3417.107387 2155.201639 1286.892118 3742.655371 2229.71012 57616.71659 111236.9012 77450.18711 70569.40388 122525.5863 117548.442 87785.58375 105861.4402 132781.124 188800.7478 93993.66965 74647.0692 91738.71351 65358.66614 17598.55642 84442.45007 7771.463399 171241.9381 Trimipramine maleate 8288.262064 4420.742878 5599.813875 4438.149593 4817.862656 5059.408527 4815.965509 5412.851225 3296.077111 1486.108433 555.6345287 545.1703301 2154.852111 82.60240651 834.4849189 212.9520843 293.6558222 1134.486039 8706.609848 9153.906263 6586.112082 8782.449804 4411.706664 3443.093075 4334.648664 6991.048554 6409.992164 1161.925604 612.7412764 563.7417613 180.0038122 801.774605 365.3477899 1442.045313 210.6858497 4.07813e-08 7012.339207 7514.306344 6529.123438 4886.650617 7689.482255 7298.075268 2895.520997 5689.106558 6596.194529 1331.684062 2355.464175 4632.772244 4748.787413 4330.285928 1172.461901 3715.543571 126.3016186 1621.884188 Apigenin 7-(2''-acetylglucoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26075.93507 17124.11693 22611.65995 21764.40844 17871.83519 29055.27087 15163.90519 27577.40352 25276.50497 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59045.60526 46369.43264 8888.650889 55151.34236 54197.16331 21273.88818 59396.87716 23986.13617 29952.23319 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 64650.43814 4.07813e-08 51041.61709 4.07813e-08 TEPP 6878.687623 5933.525348 7348.438026 6478.068943 6129.598977 7486.230738 7820.294129 5943.828749 4947.735737 1866.155253 2052.137513 704.207189 2225.891276 743.9690728 1466.929786 822.0999401 130.0864212 344.3643373 3001.504549 7187.269202 4896.734642 4596.150832 3565.994284 3559.792018 4227.603646 5368.080526 7948.952865 170.7494273 1082.233871 188.7035603 339.4446076 372.3673647 864.9796815 567.9282702 1121.771832 484.8613836 3934.530787 6505.129072 4078.272299 5411.564402 5487.157461 3260.764524 3515.509754 5325.274704 5635.988893 9229.354305 5993.520928 6631.681492 3128.106332 3087.270703 407.8088921 3424.275255 1039.168946 4312.247957 10E,12E-tetradecadiene-4,6-diynoic acid 773.3075531 665.1277209 717.2378148 597.2550887 741.3529827 813.629247 747.8604506 1576.035154 1085.290048 4.07813e-08 4.07813e-08 59.7730223 74.53654985 4.07813e-08 4.07813e-08 4.07813e-08 45.00432386 96.88063251 1017.309993 1408.194367 3734.258948 1833.328995 675.1898233 1308.508975 876.1111795 564.7342799 926.9026539 4.07813e-08 61.13450169 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 217.041341 4.07813e-08 1217.572146 447.8419559 277.6512906 1197.058473 945.9351624 1181.420552 1344.989784 725.2624006 1325.125841 448.1678297 822.3642688 595.3574288 532.7170102 539.8243522 4.07813e-08 579.0017685 4.07813e-08 656.7280207 Methylmalonylcarnitine 1423.203144 1429.844973 1290.681698 1882.53864 1948.333969 1196.540186 1466.189433 1841.353674 1295.732979 2583.424708 1049.356938 594.2327935 2221.926259 366.7807555 3618.564117 509.1073343 1108.999798 7983.247661 2838.140748 2704.831406 2405.445368 2369.412277 2534.553904 2168.320245 2066.585205 1745.820255 1790.347272 12774.40316 146.2869904 577.868575 333.5279037 844.2485541 2410.088509 1204.183892 354.005395 3961.719089 2053.658592 1665.073265 1035.926056 2230.627213 2740.58851 2850.072703 1983.029284 1680.924847 2257.27634 706.3899863 433.7954478 1283.247737 2108.183941 1817.720197 924.3087939 1984.870886 298.5153644 843.9392139 alpha-Campholene acetate 3750.024725 2815.209156 2314.1729 3161.045697 2363.909119 2387.764519 2129.768246 2664.230953 1976.96754 4.07813e-08 50.98920137 68.08325145 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54.10273814 90.85344413 2344.856101 1706.755669 1979.954744 2548.527767 6743.808009 2397.601191 2640.26532 2884.621563 1427.447993 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52.77542422 4.07813e-08 149.0450292 4.07813e-08 4431.733527 1642.144755 2637.447171 1363.425245 2011.723134 5036.980641 2027.559163 2362.776919 2221.80456 1316.240323 2466.497768 2919.343095 2177.959181 3362.105257 1047.222123 2248.829468 633.8194741 2191.016786 Mexicanin E 1513.662385 412.684918 558.9541848 1113.588968 1600.10537 1044.186912 1036.924708 1133.121514 1493.662748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3135.472247 3099.790063 3038.294238 2898.147012 4240.436649 3181.672395 1996.807873 2012.652089 2318.681858 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2890.842022 1862.751055 2043.649859 1483.809771 2423.996413 4407.296965 2367.724519 2013.099612 2410.309596 3215.236498 2851.304499 2625.692428 1957.757563 2624.932277 332.2188969 1666.333276 4.07813e-08 1776.629832 3,5-Dimethyl-2-vinylpyrazine 4178.335149 3665.157852 4525.003559 4265.633467 2221.126627 5544.0441 3664.637857 4918.284627 5586.467666 4.07813e-08 4.07813e-08 4.07813e-08 0.481233106 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 264.5680732 3347.879259 2534.878145 3770.964968 3496.147555 2340.120333 3001.68621 2889.334851 1476.224985 1750.261761 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 68.7012935 6480.10164 2166.584428 1993.654058 2318.616399 2362.768469 2538.528687 2894.589804 1353.689759 1770.981564 2478.965726 2089.073629 3781.931398 2467.480246 4111.939477 61.81109337 2349.045721 76.95074097 2085.593146 10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane 34517.93584 29474.05403 36757.20231 34957.0475 43395.80419 34951.29846 39558.31037 37329.01332 40429.06659 5593.558894 5154.335906 2071.869818 7344.059963 1410.082117 4783.432092 1107.333008 623.7512752 8669.894689 78546.33477 78128.95509 84208.81265 73379.43211 83076.92887 74666.75962 75366.00008 76092.7197 74438.19944 3444.408315 6702.182463 4551.076874 4550.118811 6754.086105 2395.676865 6515.691741 2696.599682 3291.709885 45107.49282 65506.02135 57579.81905 68499.0303 79745.34652 81775.60164 70125.8502 68344.31339 97881.80662 61852.52835 50267.99013 56136.42347 43647.44542 41620.96538 12863.45393 51908.38941 5703.152507 46538.43868 Propane, 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxy- (Compound B) 8945.070548 8550.635129 8640.340014 8945.746237 9426.520287 7479.736516 8521.093278 8302.369947 8704.233822 5180.246746 4182.935547 4536.979953 5284.754905 3743.29707 3508.837166 5210.983891 1571.754579 4415.010856 5956.692129 6826.600873 5546.743977 6564.469774 5522.383062 6024.898126 5701.267407 6635.990734 7081.651172 2607.363213 5376.669628 5191.909741 7243.734921 4263.374808 5226.456924 3944.424041 2976.330269 6537.219385 7765.86328 6001.776502 5498.860009 5177.693559 5216.142931 5901.376451 6449.658791 7453.046575 7063.427896 6370.050585 6631.19383 6268.922002 5679.368342 6097.249604 3359.711796 7085.552779 6329.195602 8061.824227 PIM1(19:2(9Z,12Z)/16:2(9Z,12Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 173888.6595 40623.19713 4.07813e-08 95116.2957 49003.54283 362577.8973 1015358.721 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1405861.642 37662.78254 8010.730346 3263.963618 28389.90993 66028.80092 30440.62021 1395244.674 5424.542262 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7645.655839 4.07813e-08 3896.596973 4.07813e-08 3-Hydroxy-p-mentha-1,8-dien-7-al 3583.455849 3637.14305 3545.605111 3360.357728 3713.898533 3629.87063 5054.565161 2628.474721 3141.592325 43.81566072 88.06717669 4.07813e-08 179.2058607 57.45370382 54.65816842 55.46617883 4.07813e-08 53.62552393 6067.664665 7286.272124 6150.203434 6077.254604 9321.684806 6625.990887 7385.370657 5166.360975 5590.900929 4.07813e-08 68.80926217 104.9313381 4.07813e-08 4.07813e-08 46.78702797 154.3244324 4.07813e-08 103.9377739 3625.126679 6469.091036 5624.455568 5138.938385 6661.039631 8402.244776 6090.553971 5197.714447 5937.672735 6361.800784 4214.59387 5113.248655 3828.439494 3500.320873 108.3557351 4975.975266 198.4458237 4308.74521 Dihydrozeatin 257.8405319 1561.538909 735.3381506 1708.885451 2884.938582 486.8559777 1947.203768 354.0807239 3502.422032 194.3631676 96.17643333 4.07813e-08 310.0918813 4.07813e-08 137.3975288 102.9091804 4.07813e-08 4.07813e-08 4289.70517 6123.907121 3273.204127 5280.423567 4926.810874 5862.823928 5890.655958 10088.49155 11567.69499 4.07813e-08 105.9227347 4.07813e-08 4.07813e-08 244.3665391 4.07813e-08 271.1995959 4.07813e-08 4.07813e-08 2216.073693 4151.146054 2019.609936 4102.112782 7477.009769 4691.457387 5071.325191 7848.689582 17140.32824 7504.483452 2668.892751 2911.412617 2653.631664 1737.848275 337.2614911 1459.616002 4.07813e-08 1619.109209 Geranic acid 9126.116282 7512.038176 8114.997447 9767.200701 9757.872685 10099.0887 12651.12409 7718.928393 7907.573573 2861.860937 2160.220716 2411.925036 2476.721825 4133.469971 2623.914466 2334.991911 940.9471979 3974.629408 9060.979677 13538.14012 9644.336219 11096.89198 14466.69438 12505.40928 13121.21745 9865.741577 12361.39029 1609.358739 2600.240894 1906.970121 3128.715407 2218.732872 1767.27083 2341.113057 1568.955863 4474.007867 6507.770609 11931.23023 10008.59158 10379.46092 10735.27825 12647.04228 12934.42147 9457.811951 12986.98793 14461.99103 8640.355229 11816.21641 8421.819417 6448.530369 2233.478193 8987.700303 1788.110297 9829.466958 1H-Indole-3-acetamide 13758.93328 13336.50967 12575.15474 14300.39049 13386.44263 12685.96431 16237.44115 5603.502847 8130.735183 8638.572879 4409.708084 5569.737658 9419.663236 2254.236094 5218.662561 3772.175329 1094.754976 2033.912592 16539.49308 17378.86554 12583.03484 15080.04871 14171.66764 12871.43858 17160.31039 11000.19454 9906.675745 6349.109281 7522.039644 3807.729955 6927.67886 7798.147205 5064.506512 7633.298966 2848.299267 4833.644026 10837.98287 15041.33859 9915.620271 10104.4385 15937.90697 15934.25203 12328.69759 9151.32868 14927.25308 10063.06113 9359.639218 15164.77409 9625.239484 7977.497471 8415.210927 11110.34892 4911.640669 9531.498096 (1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide 11161.51256 5493.029676 7033.046915 6494.230829 11656.86274 11266.48867 9938.729805 11705.67321 19217.24642 99.2294454 335.6689429 4.07813e-08 86.00097175 276.4634859 311.666301 2128.466399 4.07813e-08 669.7947664 9849.241268 12266.23068 7782.048042 11723.01278 9225.197302 10054.78574 8418.882955 6509.891738 4756.393672 4.07813e-08 266.1339878 910.9992962 310.5518143 637.7649286 189.6384133 70.54632302 4.07813e-08 2662.278394 11680.74408 11965.83783 10588.25273 7729.998653 10991.37202 16014.47162 10580.24317 7520.042312 4157.22295 12710.92268 14542.34155 15038.60198 15711.43513 10107.23617 4.07813e-08 10332.33147 175.6847488 11491.92547 Benzoyl phosphate 73670.99352 70950.50973 71977.80876 73000.22729 76260.84419 66582.67256 68745.37263 69119.67489 69096.94758 53647.72543 52549.93435 54950.6813 54048.51879 63969.92438 51361.73965 61205.09682 27135.14175 63932.48905 49376.06321 51096.86789 50395.93067 54331.41481 49521.88586 49667.5091 54801.3848 56997.24008 56471.00312 34908.19155 61191.61871 56635.62976 70937.17507 52927.41595 53291.41104 50655.05929 47974.56609 66958.41382 60791.56445 52875.68134 54897.5943 47186.49182 49151.72045 50698.60122 52636.13651 61071.29068 59864.25268 59786.92259 59878.17156 53430.27558 54981.10349 55002.58532 45974.27707 57245.55263 59557.15776 69208.24516 Tetracenomycin C 19328.08868 17271.55263 18943.09545 17309.7702 16063.91723 17065.72025 18847.96251 17574.86654 15760.93048 13916.87322 12941.6949 13876.08383 12932.11358 14259.38236 10521.6222 14700.62942 4.07813e-08 15210.83594 12500.78066 12346.94275 11508.61019 11943.53836 12136.74621 12298.31438 12783.23345 13567.78768 13563.89942 2905.738165 16548.69646 14566.43146 16586.52742 12829.21053 13526.72548 13408.39626 12084.33043 17265.73221 16540.71011 13698.4261 12832.11975 11847.77106 12046.64344 12030.80345 13585.89684 15476.32756 14599.80373 15969.37058 16366.51378 13893.20096 14034.60078 14472.99456 11853.29779 14292.68278 15321.89164 15670.99461 METHOPRENE (S) 14345.48581 9723.545215 13630.74635 21600.12902 17330.44194 18058.14998 12336.04751 11600.8862 13546.03606 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22549.09681 18535.32145 13841.85809 25169.1497 18703.24366 22651.09912 17776.08539 14565.80826 20219.9121 4.07813e-08 4.07813e-08 4.07813e-08 134.2995736 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14140.5393 21986.54797 16404.1452 19153.44544 23556.91551 20849.14364 20773.36396 14781.81665 12915.54048 15255.05181 11645.42101 20632.95725 15823.91043 11258.47543 4.07813e-08 15836.44529 4.07813e-08 16616.62969 3-(2-Hydroxy-4-methylphenyl)-2-butanone 2076.806347 1107.775283 2554.568421 3341.026052 3288.849045 4657.896052 4185.329552 1263.054727 955.7906804 1461.737019 45.369275880000004 1273.452168 1493.52347 1454.961643 1314.594421 555.0576083 4.07813e-08 350.7183357 6113.349343 5069.138959 4269.603647 6128.285016 5703.721682 7534.634107 6581.857155 6996.784705 5020.699903 4.07813e-08 1449.54952 665.1617233 1040.812472 464.668985 35.26656527 1237.286847 4.07813e-08 2343.214285 7108.651892 5990.756518 6207.45252 4370.195833 5922.490093 6991.889967 6753.962845 6659.399403 4405.95732 7666.060022 6799.815175 7768.1062 6196.415039 4876.583213 3696.534452 6412.40796 1589.500514 7293.433928 6-Acetyl-2,2-dimethyl-2H-1-benzopyran 1197.204383 531.8269338 502.5228174 713.786117 911.2364018 1676.948421 1760.995318 4.07813e-08 499.0414485 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23.10719299 4.07813e-08 30.9713403 4.07813e-08 8643.648982 8055.867772 6254.49632 6760.947233 8374.223002 8985.087842 5281.365293 5863.269002 6851.978761 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 391.2644075 40.40453359 341.9250537 4.07813e-08 153.9679781 4628.525774 7651.134588 4338.913627 6810.889927 8137.522087 6970.150205 7057.992597 6857.702046 10440.03043 4355.742691 2415.911065 5408.670668 2446.091644 2594.11889 546.2832133 3061.113297 4.07813e-08 3954.961473 4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone 21685.1834 11079.11784 14930.47176 14269.62334 9172.568817 17998.66886 10799.20725 7019.356803 8618.748435 3931.119414 2247.493235 3324.34542 3780.793761 3277.681662 1511.891664 2758.93975 1018.695108 2855.262363 8605.296375 6978.521231 6249.173064 7781.348868 8241.555752 9300.089697 6467.253808 4140.583255 3994.783304 965.4671082 4799.743731 2430.522011 3386.515502 1846.111111 1714.155733 3923.556327 1687.085913 5762.724122 11829.8944 12435.82019 8525.926116 4757.933868 6484.681471 8114.51741 9246.852576 4301.014074 2740.263377 5639.599887 9490.622843 11529.75848 6538.028346 6140.346483 1827.975093 9390.079257 2346.2951 9482.597221 Chenodeoxycholic acid 3-sulfate 30.74047582 2075.596949 712.7605099 6129.322276 6844.682032 26152.48414 19822.69143 13027.20825 52146.2606 2609.120996 3527.028372 6555.629636 2175.049774 7864.541097 1625.070801 7957.920566 820.4274352 32220.04001 1354.598307 2259.601142 6338.437164 20693.25446 1995.210653 175.3419416 16077.28392 2413.323372 125.1583791 4.07813e-08 2900.288914 11039.67028 6438.15391 18433.95872 1388.525787 5823.224 4.07813e-08 8216.668685 27811.88198 4.07813e-08 262.8310004 76.14841384 4864.729994 1447.676399 4.07813e-08 867.2307353 599.0500123 4.07813e-08 101364.0995 29123.34845 9717.355902 13081.60043 321935.3512 23833.07298 100012.6836 19465.17826 10-Hydroxycarbazepine 14288.21844 9394.594351 12954.02363 4.07813e-08 4.07813e-08 7237.290348 4.07813e-08 29117.50922 16799.43269 4.07813e-08 261.9420488 33373.34676 4.07813e-08 10350.62872 24350.6322 4.07813e-08 70351.81008 13794.25301 449.3657815 378.9570395 19066.94925 6707.00463 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30969.05679 60721.47873 4.07813e-08 8180.77889 10093.80052 4.07813e-08 24992.23832 56265.30252 1098.571145 17547.37754 4.07813e-08 9881.614112 1939.069995 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4500.484066 42272.86019 18562.08276 39725.79942 9012.272619 14883.78087 25223.00489 4.07813e-08 382.4067197 Cardanolide skeleton 1092.450986 359.1855524 4188.786986 6018.872339 2791.34302 4999.947019 1329.124182 1811.083369 4213.919268 134.5768883 113.0735043 556.3029938 137.7487001 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 785.2232731 4199.50344 6567.677438 4469.370442 4468.784142 3052.979206 4672.229743 1836.402658 2295.477378 1681.486425 4.07813e-08 4.07813e-08 440.4080918 148.2601261 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2055.934418 2387.392047 2375.385902 1482.610458 5844.281784 928.2935832 3412.711998 1488.552181 1335.49822 5478.505052 5215.865656 2362.440299 1948.917686 763.1158326 4.07813e-08 3276.562912 4.07813e-08 2503.826733 3,5-Dihydroxyergosta-7,22-dien-6-one 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 973.6580703 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1323.783953 2191.060194 780.8301039 4.07813e-08 4.07813e-08 1227.896731 1252.897309 21590.55882 3242.706647 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 298.3691363 4.07813e-08 4.07813e-08 171.2302314 166.0206066 177.3817584 13215.28738 6196.56039 1772.639984 6138.632613 932.2645876 4.07813e-08 4.07813e-08 4.07813e-08 339.4134821 158.5195588 622.5451043 7-Hydroxy-6-methylhepta-3,5-dienal 5480.444969 5361.916651 5156.136639 10537.96194 2880.557188 5609.956372 13199.82462 2972.397145 3907.412458 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4668.853758 6777.993509 4321.014218 4358.799912 3463.15383 6048.397504 4197.240491 2106.597423 2707.947899 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3319.994642 6960.813889 4179.683174 4234.481389 4948.4047 3555.242463 5271.724904 1961.891465 2842.894076 3680.300102 4406.562077 10256.85387 2928.17379 1824.518646 4.07813e-08 5628.944121 4.07813e-08 3559.324997 4-Fluorocyclohexadiene-cis,cis-1,2-diol 10965.4467 15565.2668 9009.683611 7040.609159 7095.203114 9055.573851 14168.84281 25351.94647 40950.58159 8560.457323 9796.41683 13475.43715 9138.697823 11260.31145 10176.13536 4539.142174 11818.56745 19759.27197 17083.63749 18848.96723 16456.96444 7574.686478 18206.33004 20688.68684 17121.40003 10854.06589 19265.36203 43267.08885 14002.92567 9977.867758 23668.87575 13796.37776 16095.33715 14365.00012 19407.19225 13458.60738 13945.06361 8121.209872 10682.73498 20126.17939 13423.25991 12162.99895 23981.72926 15741.38011 6447.90639 22377.15749 21606.06658 17738.94288 13518.94575 14926.78122 8481.956251 19087.74485 22802.78713 13382.31123 3-Mercapto-2-methyl-1-butanol 4.07813e-08 4.07813e-08 1142.924785 5066.692968 700.143867 1444.992383 647.4416095 1918.224622 2617.786956 2442.903935 2421.778161 1239.82077 3342.844477 1144.931244 3422.930788 806.7348148 764.7629237 3209.069578 9160.240731 6764.725242 10942.33297 7155.944691 7485.271844 6363.555162 7162.996575 10419.90773 8166.702361 13851.79813 5160.733076 767.2218792 5334.238808 3592.564961 2274.265114 13322.49013 2397.973409 2453.685611 4810.483548 2878.959042 3340.208797 5753.64636 6126.375578 7890.077845 6947.063128 9832.225007 11104.36312 3159.155558 1957.874411 2317.453544 1594.274125 2879.055917 4873.604845 3079.953608 5888.02498 1368.483705 Dopaxanthin 1432.68705 5969.655201 7195.068204 6904.673283 4.07813e-08 1695.412175 4337.149253 3216.594267 2556.946696 54219.50359 42060.31526 2540.228446 14661.03355 29224.82623 48879.37982 4372.171068 2396.734846 4.07813e-08 4.07813e-08 1037.729366 4.07813e-08 4.07813e-08 4.07813e-08 1229.024729 153.4917813 4.07813e-08 1740.229777 15881.64037 19246.87263 12887.89909 69157.26333 11692.94338 9805.708583 106248.6727 28492.30993 45841.02188 986.9233359 4.07813e-08 1009.397377 4.07813e-08 171.9003888 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2972.714519 2137.060193 3225.86439 2748.469955 4.07813e-08 116248.2951 4521.019585 Threoninyl-Serine 33577.22641 39633.57902 18326.09717 32730.82788 19353.90436 23062.84048 33400.46829 42804.15694 45492.2049 13603.53211 18931.71257 18918.81854 11956.67299 5375.681512 9286.943007 9760.940035 3221.340098 11088.12981 8730.075082 12167.69844 15200.20738 8713.079476 8989.299835 7486.365888 12147.52434 10739.30041 10957.31198 27404.15834 7769.944216 4313.91387 10980.0833 4790.875194 9120.522672 9142.531724 12690.48611 6834.694464 16123.868 14668.53757 19228.84055 16982.37839 12033.05217 8797.92176 11441.78222 11882.07034 8643.696276 8506.348815 15175.37997 12434.72449 19207.25262 26626.88879 7300.060989 9353.252519 15102.78787 8395.165216 4,4'-Sulfonyldiphenol 2495.412223 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12591.88112 4.07813e-08 3670.750906 105269.1322 6792.061186 598069.7608 86833.72727 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6321.365058 23691.23507 4.07813e-08 33035.26748 1818.126441 4.07813e-08 9505.164526 83835.87228 18884.41639 15318.27748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1497.180068 6420.972762 9860.205129 15112.47192 4.07813e-08 4.07813e-08 4.07813e-08 Butanoylphosphate 19759.51924 22483.68056 10755.08805 7835.350163 444.4781895 4978.911367 7704.025109 8574.44071 3195.924203 26067.79966 20117.9162 16330.08549 25518.21677 16016.31016 14203.20451 11071.30608 10575.93187 23717.75567 8864.913071 978.6877044 551.2529046 171.503477 4.07813e-08 4.07813e-08 3933.403378 4.07813e-08 4.07813e-08 16975.20606 18343.39633 12700.54701 14903.30733 14182.67789 15848.3384 15742.9716 8609.355996 13510.92831 24612.00447 280.943032 4.07813e-08 4.07813e-08 4.07813e-08 5521.790561 4.07813e-08 203.8413371 94.05481254 4.07813e-08 4.07813e-08 3173.212207 9873.785426 21379.88146 17369.56262 2299.715623 13512.05558 1892.727155 FELAMIDIN 4.07813e-08 2614.266063 4.07813e-08 142.8936882 16972.04395 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 121031.3486 188379.3335 105424.2337 61859.73596 86447.62876 125597.9601 98795.94418 4.07813e-08 13793.55033 4.07813e-08 4.07813e-08 566.0028113 4.07813e-08 588.4788885 4.07813e-08 4.07813e-08 1289.123414 4.07813e-08 70612.70864 84956.98967 121804.9987 13370.75956 104162.6827 119561.1713 709312.9448 42660.42951 159379.3473 4.07813e-08 567.0371399 2316.743604 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1341.139186 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 48172.8879 4.07813e-08 256394.6876 4.07813e-08 Leucyl-Serine 14966.10806 14252.76926 11188.91457 14916.51358 9406.247497 12617.56098 15640.1409 15124.76627 27830.24084 4819.98836 4837.362283 4099.166962 4760.671034 3232.171304 6632.59524 5410.379358 2660.6492 6085.774398 7557.750877 3916.95922 9347.254997 4853.31694 5539.61804 4536.895599 5709.673728 7736.753328 4988.939171 9503.990672 9040.921988 4118.711832 9955.936938 3914.018566 5385.922494 7086.164841 8727.623761 5862.357296 9389.615831 7864.868061 8722.348962 7728.637864 5744.36494 5320.366708 5202.997909 8232.305403 4993.838479 4227.886565 7037.050576 7100.740409 10353.55609 12715.27618 3564.874902 6475.754839 7271.898416 5603.531805 L-Tyrosine methyl ester 4-sulfate 15125.66375 13658.08954 14464.78512 16663.39465 21679.7651 20864.06364 15856.57809 16116.75724 16340.98952 159.8069063 22.55374225 214.13666 155.4957762 831.1553996 64.1786512 4.07813e-08 60.01077736 83.74138779 17987.34287 19193.07328 19488.75314 14939.33343 21277.89064 17451.76337 19207.02242 12077.99924 13550.93082 209.6314128 62.75911153 81.45676265 13.90779548 106.8737033 126.0900481 138.6693291 25.57045393 54.96699053 10440.38494 12763.00023 14364.54734 17244.66642 17585.42392 23312.05589 13756.26282 12570.90237 15363.14624 17747.17053 18277.70996 14474.63145 18275.48827 20609.60717 120.9202649 18641.99041 4.07813e-08 16885.14228 Methyl 3-(methylthio)butanoate 1697.414459 1732.680186 1147.352669 1572.870663 1211.921184 1564.766 1556.40672 2033.415848 2099.68658 4458.687582 3986.049074 4355.731516 4698.25403 2213.73219 4215.986592 7261.348726 10614.19287 5868.465015 2343.15517 2324.141836 1660.815156 906.1674184 1066.018758 3418.234006 1618.813075 3082.344049 4320.00135 7239.878628 4490.800822 7286.273813 6693.543967 5153.916694 9186.061461 5903.829916 9476.272468 6531.469635 1329.760962 1090.697335 1004.202527 1344.883101 1351.006719 1604.668264 2865.850756 6691.328279 1765.610932 6715.048103 3017.847529 2172.833125 1432.661794 1535.600181 4262.772949 1827.616807 3983.79094 1755.148808 Ethyl methyl_succinate 4641.829344 4013.121795 5516.09003 6340.116559 6613.021274 5439.023586 5972.934956 4653.550637 4631.227046 350.2219617 736.3294237 1364.602601 641.9763987 864.347365 318.2180115 282.2559338 163.8821025 415.2574281 7061.310629 8124.959891 7831.571726 7717.136425 10527.80786 9012.928742 8580.166184 9125.575686 9178.127502 782.5135711 306.3721688 740.0382963 300.3627654 673.9653325 1226.120588 742.380014 645.1680408 521.4020997 5855.002459 6298.992608 5674.016311 8582.682134 8185.149229 8888.701788 7744.883533 9536.98724 11177.15012 6770.452943 5494.689987 5996.180234 5919.155126 5529.041734 947.4116185 5742.568928 581.5881797 7032.20434 N2-Succinylglutamic acid 1002.102967 1250.752314 1353.684823 1643.750741 2408.481531 1416.909158 1468.00326 1606.459071 1037.376307 662.7228943 1195.260744 1379.912939 799.1990025 932.0869681 784.1545387 1156.804504 1190.808455 721.5898467 2340.106718 2649.110732 2288.136753 2033.149256 2326.42042 2266.712974 1921.281899 4599.708094 4409.187262 2295.075187 1468.09847 1682.248781 3290.260913 2608.493299 2191.277933 682.6065208 1487.303651 2406.821861 1371.373702 1715.336736 961.5367575 1649.030563 2169.464987 3216.658593 1900.438495 3638.23343 3222.511618 1889.276541 1882.992329 1683.24649 1480.869503 1549.403329 2495.583901 1366.748537 2335.252636 1435.672393 Deoxycytidine 1458.487097 3319.798713 842.9866509 1484.875394 730.7858729 552.995745 1702.064483 1435.072711 934.2902459 9712.755511 9607.443026 6345.894765 9000.18125 6776.909542 7774.934502 5144.072834 5518.178062 7955.913682 1108.989783 1653.326341 886.6757537 881.9355846 376.5963597 553.5404415 1898.674367 1778.420688 1424.645131 9205.963006 9732.080104 6551.792278 7097.254779 10029.31584 9734.487739 9518.994558 4531.120691 7757.367341 3638.025261 1002.627261 1269.540728 1249.61109 1307.024866 1229.789284 572.0959088 970.2079711 1601.029971 561.2824151 514.0946908 1248.237162 1420.121756 1878.504024 8260.6967 987.9974574 9330.886214 865.6150031 Aminoparathion 114664.4326 19945.96036 83632.60906 117813.922 16167.84558 95171.04607 87311.32296 54138.94182 99771.6055 10452.70405 7253.878057 6480.332977 10136.62226 7138.681683 5861.757338 6362.196654 4317.927137 8428.104248 125298.4528 52532.54615 137676.6602 101770.723 107387.9289 124585.2015 107089.7751 7774.966407 9982.031702 6884.420835 12387.16561 6454.84661 11860.3002 5743.88333 4614.30419 12970.92577 2852.13963 9767.750756 98730.96769 109314.8346 96248.91255 203836.1632 91348.37901 58323.45502 111895.7006 7441.025417 8346.478638 110814.0206 111268.604 148213.3068 46324.43405 135151.7881 5076.41305 132766.7072 9697.946175 20672.75993 6-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 3957.656255 14427.7777 2912.278495 8229.111692 2878.999616 1437.679922 5527.138922 2768.440166 2243.421284 57360.23704 47127.99247 42362.03456 66736.87926 43902.76467 16191.13659 20725.20775 32654.36354 22358.83571 1078.951496 1088.435769 2928.124739 1133.730973 2017.074849 861.4119691 1108.752453 3703.563541 1693.114772 28120.65976 33923.55378 20337.08512 16768.61869 15965.19906 27142.60637 12441.20983 38101.63652 19618.42635 7042.50076 3589.070106 3359.908656 1160.346918 990.0685073 1088.845004 1218.9536 3475.415746 2946.349897 4.07813e-08 1070.217286 2992.726897 3462.983535 5110.519131 7476.141393 1622.55219 29817.41446 1828.066677 6-Nitrobenzo[a]pyrene 6393.841797 8803.431478 4.07813e-08 6340.458183 31307.81148 2260.959783 1895.005717 1217.837885 587.7108064 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 653.3861981 3569.578695 4.07813e-08 9857.319948 1641.040226 1571.303652 3407.183996 5267.245711 1979.432262 4017.617869 4.07813e-08 1655.977437 1347.285275 181.1030572 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2140.439251 4.07813e-08 4774.264107 3270.276422 3461.298071 2213.259607 7390.891756 10762.85524 1161.771641 4.07813e-08 4.07813e-08 14041.62567 318.5983959 6681.642418 5006.50152 3215.947597 4.07813e-08 8128.711491 4.07813e-08 2740.270759 Cycasin 1052.375668 994.0080485 531.0852531 1281.755674 840.9467064 690.7766336 781.1306584 1583.853405 1513.846417 1.079161432 16.07392614 0.938221672 3.656785683 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.773580178 2483.971672 2086.394791 1785.222099 1919.777704 3432.753478 2750.513878 1946.552046 1251.785329 1582.165055 184.6079484 4.07813e-08 76.33297175 1.894455377 4.07813e-08 159.3683399 280.48616 4.07813e-08 93.75856306 1831.67264 1669.400305 872.0688595 1959.889753 1723.821795 2463.225856 1078.927151 1072.787576 2538.845805 786.3944799 667.320437 992.9385434 1458.438388 1161.034103 132.5625616 1398.851889 63.94317602 941.698586 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan 433.8371543 269.0379982 245.6177047 625.6721269 476.8957753 817.9401478 710.9984912 551.640114 1181.702807 15100.6811 17277.66224 3995.083559 13045.4646 7766.749325 11793.5731 17834.33543 6457.262855 4583.910812 4.07813e-08 4.07813e-08 96.86817735 285.8243618 4.07813e-08 4.07813e-08 616.2688383 4.07813e-08 166.405683 7602.737606 7943.053056 12517.0616 4571.376543 5696.336711 6072.418765 15081.19475 4689.022427 4756.052039 514.0286893 109.1818227 4.07813e-08 127.2819274 4.07813e-08 108.4461627 184.0835638 437.4217711 92.12031056 267.1181223 584.5786757 214.9348735 448.4607428 241.025234 7471.337326 153.9422619 8663.954173 209.6814169 N-Acetyl-b-glucosaminylamine 3272.928769 4430.989281 2649.575024 2128.498106 2366.438217 2189.85867 3810.843262 4176.9116 8507.559973 4285.499052 5530.563657 6442.738086 4571.494286 3445.391132 7275.065664 6142.503271 2199.162952 3677.288959 3204.315137 2357.576702 2862.947912 2394.932521 2314.544306 1952.689479 3916.707268 1897.379286 1903.469897 4141.838983 5638.719367 3952.65012 5097.490273 3480.501792 5746.072138 6353.403481 4092.041574 4044.364702 3879.855626 2654.839646 2867.804916 1940.109796 2068.123354 2894.78858 2920.598487 2250.493171 2097.411676 2101.09667 2341.471057 2764.402513 3472.776635 4641.694096 5762.14267 3125.219648 5188.906178 1998.157358 Lysyl-Glutamate 7806.238444 12545.66855 5623.835078 8561.904833 4284.471604 7701.299868 10678.62181 16065.62601 18515.26842 1932.424423 2954.164996 5419.698977 1470.163443 1195.538494 9047.852135 3980.374241 1980.825368 2607.664099 1241.496088 2042.563147 4003.2603 1635.944913 2757.69363 2784.595607 2533.015477 2402.314815 3665.244138 4765.297875 3682.944998 599.3675424 3798.061227 620.4117456 2032.1824 5892.102147 4557.423922 2038.59408 2679.526937 3641.423865 4714.713199 4737.493661 2859.851986 1733.814965 2445.551449 2341.19789 2255.691021 1471.475355 4666.135564 4507.350639 6660.05733 11362.87714 1472.689907 4139.059862 1876.482737 3270.107473 Nitarsone 1697.491589 1546.930047 2431.342123 926.2382512 4756.117643 1109.845901 1178.629896 3012.460636 5509.585338 34.44092982 4.07813e-08 87.1348842 37.5710946 111.4958987 4.07813e-08 4.07813e-08 4.07813e-08 255.6675727 1719.453709 2367.496573 1196.072748 287.9090307 1416.956152 1932.385552 791.4827435 1297.569572 2650.651317 4.07813e-08 94.75399399 4.07813e-08 200.6201927 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 581.4511741 1153.299719 857.1209931 2591.177942 2730.590102 1191.110026 2519.507246 2229.664599 683.0784595 3442.496846 1463.177429 2417.617475 1700.807037 1572.060943 4.07813e-08 2805.823544 4.07813e-08 2522.48806 Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate 1608.451823 1839.802806 1281.0184 1656.897499 1572.075155 758.8056052 1438.663486 1587.28658 2175.63725 690.8655603 814.8475345 1318.597008 1180.48073 559.0916952 561.8865255 317.6524672 272.0169493 1085.598373 2332.533581 1990.211488 2792.576511 1668.597993 2877.060977 2385.924187 2252.607242 2130.426695 1995.917006 1257.594683 819.0314921 431.4665385 568.6610166 938.9382545 762.6208529 1501.797806 418.2884481 425.9355463 1859.620071 1287.61042 1242.24414 2001.993123 1698.916524 2787.034057 2448.56349 2392.803525 2391.170308 1696.580957 1968.596503 1790.513528 1812.05615 2315.420537 1033.453482 2209.259715 1116.155433 1603.176212 Ritodrine glucuronide 1194.491177 655.8778528 4.07813e-08 136.0913305 4.07813e-08 216.0550431 1193.296889 2215.555203 4623.464476 936.0206268 773.3362891 1831.364267 820.0515307 1371.483125 1363.517205 1035.587823 1638.331822 3720.630132 1479.240772 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 269.8643062 713.6704334 4.07813e-08 4.07813e-08 4159.485119 1394.190359 1171.673548 5015.793781 870.4147046 1594.673054 660.3482508 2113.163424 1016.908977 949.8953736 4.07813e-08 4.07813e-08 94.36061666 4.07813e-08 316.4200139 563.1773255 265.5618235 4.07813e-08 722.7225947 1223.640384 771.5724701 377.660526 1100.534326 931.2282425 1536.203684 4959.336806 745.8061274 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone 1576.600652 2018.630164 1024.951455 1394.139391 684.1335609 884.0581744 1046.60163 1666.177483 905.0184933 2299.72038 1620.339256 1376.734751 1987.672667 1327.321406 1577.248717 963.6896003 1802.276805 2394.224515 2347.299293 1008.399575 1646.340355 1389.219507 956.6924373 499.1181874 1074.554688 1942.74333 819.2329834 1478.273459 1878.926616 1459.860386 1506.992094 2256.853139 1521.694252 1944.732659 650.2296544 1640.2672010000001 4070.68947 1067.398014 1977.701795 590.9707868 794.6135811 1558.372072 364.6373331 2903.621733 544.4403916 388.7845239 320.0957021 1627.84708 1225.331643 1530.412598 2354.694914 1209.821835 1859.09916 542.4317053 OXIBENDAZOLE 4656.562986 6898.956793 2883.331416 4243.32384 2413.179558 3403.088651 5312.724479 6846.199045 6862.68632 1680.010665 1839.823216 1509.514296 1807.790033 1103.678407 3141.634354 2098.998445 3120.149293 2272.568839 1163.308896 1484.996738 2990.031353 656.0620899 604.6848485 1014.305841 1383.730064 2132.70335 1204.382766 2050.564164 2098.232999 2621.943907 5153.705133 2221.48948 1668.320344 2544.088831 3769.120561 2192.038933 2121.064131 1903.388936 2239.231116 2198.779359 761.6361491 745.0467845 797.028193 1205.664141 954.0080983 894.5912625 3095.983482 1686.321731 4257.759244 6038.025314 1735.375466 1528.844736 1709.800506 1237.685834 Northienamycin 7905.812854 6810.126965 7031.932241 6516.707178 5474.237902 5124.023128 3086.069072 6428.948038 4311.354534 20733.47879 12434.42617 16681.56593 20140.24492 8395.119229 3614.903646 3517.252352 1178.83492 13053.38977 5397.845949 5659.315394 4761.072447 6457.912202 6128.95084 5161.892651 7260.073265 9618.394015 6951.658823 10394.0035 15549.95641 12244.15839 10560.69159 11141.48615 13361.28848 12559.13017 3802.027512 5930.465163 9530.613809 6941.334881 7354.177713 6800.204739 6978.526409 7565.09585 4036.897372 6810.06101 9397.481733 2647.85842 2089.628899 6804.710349 6544.498999 7187.516799 24693.13805 6232.818174 6024.892111 6046.062863 N-(3-hydroxy-butanoyl)-homoserine lactone 1690.278908 2569.506054 1944.254203 1759.011383 2774.066784 1831.053961 1879.666765 1542.09881 1389.048474 5459.093196 4426.226468 6139.721168 5856.434182 4695.577694 3688.773963 3006.62077 2252.470039 3441.538361 2822.209078 3099.679922 2333.137982 1691.447557 2695.243989 2789.709016 2173.656715 3185.11481 3210.495356 3911.994122 4455.428413 4925.989027 3381.33725 5157.560389 5796.683761 5495.784276 2425.558542 4886.706385 2149.205558 1915.91731 1822.466891 2433.314863 2043.233854 2771.282431 2668.676396 3099.249845 2703.776362 2710.154504 2646.888568 2537.999254 2435.307873 3540.728914 5906.450793 2965.842779 4665.063804 3036.981336 Catechin 3998.446818 22511.70897 2673.379929 1454.930506 6012.635331 1695.483149 1239.545461 17799.29907 9955.894 191.2969207 4.07813e-08 9166.0098 244.0301542 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1861.523293 1069.39898 2332.987841 347.1839175 4.07813e-08 4.07813e-08 148.5418758 4.07813e-08 157.4420486 797.7938016 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1644.379896 1564.628966 303.2554979 1158.701285 937.1093859 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1432.572815 3430.782657 8484.275014 15754.88586 19258.73703 4.07813e-08 4757.388021 256.1670176 1440.522516 Diamidafos 2599.853079 1567.58274 1114.754131 1259.94506 1566.478211 1330.205788 2250.871302 2193.238877 1703.624447 14.68220779 86.64910604 88.24288006 13.77649344 4.07813e-08 15.55122488 4.07813e-08 16.303324 23.07287176 3978.604661 5948.919835 3087.884384 3881.999474 3254.032447 3105.892064 4361.350113 4024.152508 3750.576542 29.87974844 19.18551901 15.9680751 4.07813e-08 16.24350264 42.46528843 4.07813e-08 15.49600753 4.07813e-08 2468.060998 5264.922229 2517.157891 2933.616168 3527.248056 3339.92208 2689.088174 2867.617955 7431.940197 1770.518572 2387.580167 2238.230785 2438.44661 2161.867311 4.07813e-08 2452.773479 25.01052741 2458.804934 (S)-3-Sulfolactate 7999.463687 7492.211319 9455.696858 7786.22981 8681.079201 7579.770731 7894.727068 7559.309326 8372.427291 0.27315043 0.750053332 2.597503428 3.227184277 4.07813e-08 9.552445158 13.81630048 13.89759151 0.566736485 6646.944487 7453.658261 10083.81152 7686.137947 6992.55304 7199.348023 6594.19976 7633.685936 10831.85662 1.297411218 27.49235459 33.16192653 27.3115916 18.86801928 23.01278743 3.571379814 11.67348993 21.68874958 6217.142367 8421.390743 8864.566648 7936.63907 6778.667413 6936.211113 8204.720766 9215.638928 5681.882582 5191.444389 4887.532482 8267.631919 7779.863594 7110.731876 31.84003466 7023.740949 4.249618152 7167.424821 Australine 2632.688028 8859.369132 3766.098864 2246.113419 3096.392791 1641.078711 1465.657417 3746.317238 3588.464475 3362.196387 4141.224784 2275.523731 4101.772686 1441.271901 1400.069149 1952.737031 2431.257557 2327.393048 5092.611734 4621.425521 11402.68308 3521.367067 1905.817421 1596.119688 3268.145406 11962.10812 3854.577845 2210.105031 1708.538738 3820.267451 4050.243861 3853.103955 2565.509134 8057.939742 2687.205862 8154.659962 5203.381165 3968.235202 4592.764344 2756.285244 3100.654129 5069.154778 1726.49217 11593.55512 3753.829622 2210.421424 2690.88261 2957.288737 4563.061433 21000.06747 4332.763244 4386.094373 3373.335692 1906.366476 3-Indoxyl phosphate 141.0516306 252.8136452 58.32940513 61.41495876 4.07813e-08 61.84336097 60.79347822 4.07813e-08 131.8541353 1199.098708 1401.826592 1084.457451 1644.400193 393.6727523 674.6427012 4.07813e-08 215.0940551 502.2765093 1080.729141 728.2015982 542.2210287 1032.208696 210.4370595 4.07813e-08 775.6043507 2231.681793 4.07813e-08 430.0152067 955.5931961 508.0379288 650.4503431 1423.164019 448.3252381 910.5913204 224.3244633 415.3959499 649.4444878 289.7785061 448.818342 4.07813e-08 1008.148052 1086.420225 4.07813e-08 994.969031 2867.378575 4.07813e-08 109.767475 4.07813e-08 474.7249541 294.8514977 1501.455247 56.16706561 821.4357535 4.07813e-08 Sedoheptulose 1,7-bisphosphate 38824.13421 36875.83761 35241.43671 34866.38491 36231.33037 33965.72406 35742.03044 38241.33406 36987.42411 27869.11202 27237.18194 28907.05101 28453.03794 30799.47619 27489.64946 33051.78065 26129.6376 34875.07561 27024.69455 26828.60151 22786.04159 29045.83768 29813.38464 27815.84445 27390.92245 31173.46623 30699.12007 24283.38779 27281.30212 29231.83721 36138.37235 28275.14844 29255.27036 27447.2615 29822.05923 34446.58132 30328.45777 27024.94621 28255.54539 26883.90145 26893.35162 28599.97337 30214.04464 32016.02749 33916.16474 32830.40379 30671.53987 30897.05233 30050.67528 32450.10781 24278.67355 29739.2758 29440.89783 35809.80645 {4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6-dihydroxyphenyl}oxidanesulfonic acid 525971.7231 505747.4004 541335.076 528015.1085 545814.7658 546183.4923 528164.806 522653.2238 527207.6864 386615.6642 364599.9774 394652.8424 376423.9167 447788.682 378148.8483 483465.9877 383013.9878 463529.7504 406064.0176 425681.8347 390149.2358 445689.3042 426831.8593 427886.879 426316.5698 467635.2613 435741.6173 354052.2873 416136.9481 400364.2724 492404.2679 378255.6387 385244.651 369887.4322 436809.3209 480353.3647 444140.5953 416238.5927 435740.2182 389493.3266 405114.8685 410414.7725 459448.8956 453700.7342 452241.9718 514655.3702 483464.1335 453076.3057 455168.8989 420811.0466 344828.9649 447120.2843 413410.8529 520432.1926 Coenzyme Q4 14752.63244 16741.78173 11722.81517 4.07813e-08 4.07813e-08 15548.48521 10838.34758 18305.95132 18446.03174 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1138.968965 4.07813e-08 4.07813e-08 340.8310734 4.07813e-08 16066.09875 19087.15509 28099.37027 58803.10446 13026.83401 2244.051023 13708.48733 4052.980254 2714.160405 164.1649623 4.07813e-08 42.02154105 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25329.37472 29847.86297 32708.85994 18694.10864 51084.63276 10369.09538 3929.939022 742.7052073 16831.13108 4.07813e-08 3463.841722 8648.604874 15326.30481 15211.80645 4.07813e-08 13141.07923 4.07813e-08 3155.676327 4-Isopropyl-3-cyclohexene-1-carboxylic acid 2062.592131 1184.09332 1816.745683 2219.419942 2179.210122 3584.297313 2546.796381 866.9489218 1104.11651 705.4947331 213.612936 4.07813e-08 1501.968645 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4069.292618 4480.252674 3542.104478 3513.474517 3454.696093 4914.80836 2753.11208 5278.784272 2606.717531 171.5045271 827.3661804 4.07813e-08 1227.057197 444.7496628 4.07813e-08 506.8635191 4.07813e-08 4.07813e-08 2413.330321 3028.960928 2218.701254 2828.357489 4137.768542 2276.778794 5479.543809 3227.664748 5058.426803 2725.819684 2521.610557 2938.797112 1290.591926 822.7827916 311.9943942 1837.945807 2574.280031 2948.629371 UDP-4-dehydro-6-deoxy-D-glucose 98378.02189 101278.9067 105145.9515 106700.8974 106450.0895 102600.6984 104603.2767 102392.9626 103604.8897 78952.766 71902.67606 84498.86667 76478.45701 91663.88381 82004.72982 106886.3096 83900.29785 96504.00465 85049.29753 85831.17865 80693.95132 88326.41235 85054.53587 87881.55741 81595.47793 94009.27685 88565.53832 75741.97652 83297.78515 78029.70943 104633.5226 74315.71611 80315.07876 78474.15917 99752.6828 106262.5841 89580.17154 82954.204 85693.79352 83864.60022 79052.61837 76616.47066 83504.06401 93977.88484 93174.7018 106552.0202 103580.8944 86232.65386 91627.62243 80554.23447 67101.43102 86860.05173 85341.2688 106507.5701 Isofenphos 7292.301942 4656.38645 5612.858513 3019.913261 2723.698836 6188.587037 4326.569223 8253.167882 9764.788069 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11671.66082 11005.77872 5704.753597 3907.228777 8989.714808 13389.29772 6575.840559 12709.01646 11767.35095 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2174.86949 11136.39088 5009.672143 7115.955971 6442.842582 5917.465274 16406.4801 11042.86935 15311.93155 10121.77174 4049.314428 6439.553956 2303.011855 1396.947628 4.07813e-08 5576.019619 4.07813e-08 9245.833623 N-(9,12-octadecadienoyl)-glutamic acid 372.0807613 3724.188263 19905.81227 13189.66447 8849.672253 33422.01335 22090.778 12474.64582 18275.82124 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31802.4435 27609.67514 16219.31045 14133.07615 15110.94595 15448.91257 12914.98815 7579.45637 2372.677842 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11415.38915 3870.492762 15629.91033 12119.77379 12394.86257 7081.186786 9067.301327 6114.880119 2127.576648 73945.2619 73615.14414 37240.75837 12275.44277 6360.42743 4.07813e-08 26219.94677 4.07813e-08 22580.67537 trans-Dec-2-enoic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 119.3324941 4.07813e-08 4.07813e-08 4.07813e-08 322.2943328 142.6934076 4.07813e-08 123.9419275 209.4710499 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4396.022769 6177.554954 4.07813e-08 209.1818498 98.37966367 4117.208392 444.0205358 2166.378638 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 143.5996148 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 259.8654702 4.07813e-08 4.07813e-08 87.24468481 4.07813e-08 1164.135943 1286.73644 132.7785752 1372.216406 5602.496739 1382.794467 4.07813e-08 4.07813e-08 4.07813e-08 832.5590526 2366.971555 337.4700637 trans-Cinnamic acid 128.9536973 194.6558157 58.0186439 9.194703318 7.458711219 51.58201379 189.3806249 271.424306 634.8711361 161.6737569 284.1379002 249.7087747 258.8829985 118.9955295 294.2099241 120.6204325 300.3043899 361.4373169 4.07813e-08 46.81958076 144.0228971 8.926933057 40.30360678 4.07813e-08 128.2997663 40.41781156 20.53787427 783.6423389 320.9160222 135.4660484 444.3650973 171.3094127 284.6411801 238.8874232 366.2506372 228.5968618 206.695405 18.90906216 4.07813e-08 41.35644693 22.5025628 5.286871095 4.07813e-08 9.510648394 31.2684032 75.03735671 156.3993854 154.9071611 231.445051 278.8270866 219.3882151 133.1663647 686.9768891 76.14225723 Alexine 2454.039778 3021.605939 2558.928051 2202.541784 3368.328166 2330.672894 5747.979386 3453.230865 2342.968938 1337.924677 2633.163649 309.2042809 2308.969757 4.07813e-08 44.91172858 4.07813e-08 4.07813e-08 175.0997818 3079.622621 8491.175809 2379.589192 2625.026419 10896.03603 15261.8593 7920.4722 4471.520222 8037.047371 245.2476285 308.2785427 936.0831841 700.6309484 539.8257329 442.1117633 1545.372382 166.4051367 1987.561999 4519.336577 4265.032083 1983.668702 2813.057521 3096.713399 6679.485625 14128.5693 4107.475957 5269.91861 9006.050856 8407.267984 3165.219132 2387.208434 4626.187009 1016.387005 3148.712879 885.1239794 9442.359549 1,6-Anhydro-N-acetyl-beta-muramate 3855.243486 1715.137294 10300.94584 2192.426417 2902.949648 4247.312067 2186.88062 2823.567535 10273.61713 4.07813e-08 79.90379625 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3710.771634 4438.903233 3126.692179 2400.25072 5496.94954 5960.779602 1782.331211 255.7249352 6783.408374 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.63005043 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3837.289907 2439.856504 10334.63478 5585.297952 3834.607151 7467.989044 596.3404065 244.7619962 7755.890926 5353.264975 5524.480357 2991.00859 943.1834301 50.49321576 3359.366788 4.07813e-08 2421.872718 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline 417.5436671 509.3105639 186.1494097 318.8494073 330.7771792 231.5867331 437.9228201 221.224355 376.7707916 611.6392904 547.6521135 1219.579589 353.2664549 646.7385543 253.6918056 278.4959999 3124.285584 720.4598678 1861.564104 948.5299584 1853.308042 290.0470256 187.9382983 232.1330045 333.6503481 2503.892527 335.7457442 245.7909328 732.2235492 669.7031678 291.0859733 702.9675411 804.3389889 325.4916112 1092.368369 757.2713372 936.3415849 508.6023654 700.2154417 208.7300702 311.3833778 410.9308544 169.4831756 2186.567429 1258.855495 318.7291954 746.0896322 279.9507028 233.0292296 432.0080325 799.8710086 221.8617045 496.6352522 340.5794705 Aspartame 4.07813e-08 340.0208221 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2098.318047 1723.161284 1658.928836 1991.365281 1674.209106 1830.578733 933.4733543 667.0127458 1813.794659 1.839615019 5.448074843 0.474552513 4.07813e-08 3.543468755 4.07813e-08 3.068711688 4.07813e-08 4.07813e-08 2072.552959 1974.039276 1663.284797 1576.275728 2519.820351 2021.272985 3334.851483 1386.946172 1720.043992 867.925692 4.07813e-08 0.75248645 0.324315018 4.07813e-08 2.725147584 4.07813e-08 4.07813e-08 6.115536069 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 474.6922732 2725.687894 55.89815708 1999.542239 4.07813e-08 Diethyl methylsuccinate 3103.148716 3876.413372 3239.153682 3363.773983 3888.675768 3572.039563 3527.546484 3631.213422 3407.294484 1920.984718 1685.442345 1145.091258 2271.874462 865.4855082 1399.19841 272.1733291 377.4841706 1119.879955 3357.163651 4407.820477 4849.909075 3199.152365 4360.112929 4544.860579 4551.831749 4449.681781 4278.100472 1050.936758 773.1753697 1165.955711 457.6536322 946.7615129 845.2496832 1804.161084 442.008223 1300.260385 2501.937569 3241.185497 2900.914455 3979.715039 2821.564522 4995.522418 3986.011757 4531.984407 4262.093862 3601.741174 2688.366867 3603.076574 3583.681843 5138.01573 1411.763714 4094.298634 1188.505381 3907.814944 CAY10503 197.3442214 123.9453959 86.79741943 161.0902696 25.25602257 95.30999054 225.1999518 201.7768036 151.973987 985.5523958 50165.30599 109.6129572 1046.618276 358.2276206 903.5715387 25293.88648 437.5180575 838.9391787 204.2145185 66.72231204 154.5263735 116.5108277 223.5233919 96.73001591 70.64540341 220.1996211 63.29897241 931.1811211 627.9574219 1419.083654 113.0204126 150.8822398 267.4830552 2277.613745 344.8425473 40.77190647 208.202063 23.94099345 51.34005712 189.6869601 55.99817195 127.7911555 145.9117122 360.5701223 220.0193919 33.4129449 98.99029181 56.64005299 119.7493537 145.6220114 467.620972 119.3984453 778.7833163 110.3777969 Gorgostane skeleton 4.07813e-08 248.8645586 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 286.0632815 576.1287749 728.3285232 4.07813e-08 800.5395476 521.6610743 176.0109236 4.07813e-08 937.8244757 386.0437572 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2737.420609 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1178.761137 4416.963149 278.2820678 5096.861757 3362.797828 7076.694267 274.0837958 4272.662932 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 567.7630756 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2660.087661 4.07813e-08 753.2208083 4.07813e-08 Valyl-Histidine 1459.87209 944.2025179 1293.497478 571.2137244 740.8548233 1460.987404 987.8220669 1051.976517 1215.390826 303.1077785 364.2119802 109.0274032 271.7706355 139.5051192 409.5613546 31.80724758 106.7817271 234.838237 2741.422489 2569.169004 2118.149218 2029.619886 3050.498177 3163.93107 2400.012766 2702.955814 3587.946363 211.7576568 374.6222431 141.509245 320.8911883 436.8607936 226.545903 521.3815044 7.28191e-06 74.76674196 1309.348315 1799.609751 1504.922621 2187.240049 2748.523803 2631.428186 2914.279982 2800.561162 4023.073788 1904.091832 1534.38606 1597.83698 1590.451757 1236.533106 520.1708633 1535.699698 354.4537667 2535.844283 N-gamma-Glutamyl-S-(1-propenyl)cysteine 31.44903341 4.07813e-08 156.6030231 6.05576483 9.685519932 4.07813e-08 10.62381303 12.62353159 3.588352935 5.980030522 55.37865099 46.76814796 4.07813e-08 3.595518662 4.07813e-08 4.07813e-08 60.71189292 9.327191262 6946.081444 6404.597193 5379.24326 4981.890748 6437.821624 6159.46159 5373.73528 7553.78609 4716.567867 1126.328568 1029.476795 12.03420377 560.6121962 1269.451766 172.8028808 1415.62263 6.558161725 8.626375343 3467.473115 4469.344451 4584.830208 5182.986963 5620.400805 6876.439219 5298.726519 6821.668303 9230.035482 3028.786156 2738.028602 3750.038965 3647.168966 3241.250403 1782.258421 3467.073089 880.9898509 3720.320785 Benzthiazuron 7519.106401 7004.462935 2422.931337 4434.563794 7646.23577 8584.433082 15544.18696 8973.905156 5135.381115 161.6669681 654.1559654 168.9578054 969.6411153 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.14868993 19396.97281 27241.63469 9705.013471 13015.27702 26316.63458 23503.97744 23301.00622 7862.362422 18077.22635 33.34168467 67.33552613 77.27695715 4.07813e-08 841.4623227 64.94148016 67.08800077 5.528479252 4.07813e-08 10103.72889 10487.75753 5712.273053 11532.23149 19575.47603 19762.64127 21316.63541 7994.871358 25098.34192 9084.076949 10307.14615 8032.142094 7713.596733 5781.579917 246.8447945 7782.77537 4.07813e-08 20641.5396 Oxidized Oplophorus luciferin 1858.606746 8112.454791 2129.243608 4103.551497 870.0455475 929.4691097 2444.696152 650.3598237 4057.249611 14648.85279 9721.500489 14454.61528 15378.6877 1634.66721 9572.299545 1649.22057 10811.52346 1077.734289 461.1383332 192.8266539 857.7673397 257.6262698 794.0894204 682.591785 1809.194884 650.5477199 1086.091563 6306.140774 5360.775846 22032.00075 3740.741464 4440.896825 7220.913285 8747.816605 6674.005417 400.0872914 3591.829202 527.1344966 676.3410184 986.8868431 257.5101592 827.4887141 422.2223311 611.6901255 272.0806923 185.7572643 1152.069639 758.6318502 1998.510424 5725.529152 10829.09424 660.5978843 10544.85584 203.7803946 6-(Pentylthio)purine 689.9515425 2032.720717 270.0183405 862.1333383 330.1943314 749.5653979 1030.600396 1900.427992 1416.083698 9820.04775 7564.451691 3804.376638 9730.473226 3689.260859 6148.728139 3907.360353 4479.624647 7638.801721 4.07813e-08 174.8067613 622.7934373 83.47023511 646.3179793 2.852059127 385.6835302 332.1329455 236.70141 6355.742588 7143.919178 5413.582876 6447.639843 7430.268116 5372.368677 8848.612838 2651.629533 4976.400906 975.7543992 323.6622005 641.3269477 477.6603514 477.4199743 495.8941129 63.60487938 175.9603941 501.490427 4.07813e-08 1127.845751 557.5880704 2057.438286 2251.526339 9926.494648 655.6774708 7194.40844 290.9637413 cyclo-Dopa 5-O-glucoside 90.7284298 4.07813e-08 4.07813e-08 443.7411558 4.07813e-08 553.3093397 4.07813e-08 4.07813e-08 4.07813e-08 736.451242 3875.663759 15117.23014 1185.869884 9994.897984 922.3539958 6314.118906 190.9607553 848.3037397 48.67600879 4.07813e-08 4.07813e-08 4.07813e-08 139.0427132 4.07813e-08 56.4291295 4.07813e-08 4.07813e-08 1779.815919 4065.802321 8920.264005 1744.356959 5201.549847 5468.550772 3731.938399 3666.122486 7041.986834 247.7909067 77.33532662 4.07813e-08 59.9578698 4.07813e-08 64.76596795 91.23645617 34.33555144 190.00328 4.07813e-08 113.8470793 4.07813e-08 88.50677857 607.7186046 3797.602782 70.47260047 4894.218386 167.636923 N,N-Dihydroxy-L-phenylalanine 1249.802787 1162.078088 1092.286486 1717.673469 1887.577882 1263.824938 1112.429705 753.5705297 485.6759998 728.1808348 530.3708153 762.3323922 587.8620507 282.1972576 334.8170894 143.2823509 964.179718 162.0764258 2528.848229 2694.651931 2265.380364 2336.058837 2853.604879 2506.371297 2646.073781 3301.574071 2600.439728 495.8001982 612.3018947 580.1953905 320.6516222 692.1647021 700.4858014 733.812763 283.267905 139.3373825 1598.684054 1988.138588 2024.536429 2017.867574 2529.020309 3304.344343 2320.425604 2814.254776 3984.376861 1365.653625 1797.287754 1769.073413 1808.885761 1796.207614 1265.951949 1882.806741 950.5597532 1228.546391 Indole-3-acetic-acid-O-glucuronide 327.583611 471.7600268 230.47781 2191.632421 3859.108282 124.8924064 493.4105286 746.5506472 4.07813e-08 4.07813e-08 71.39725144 149.9393043 4.07813e-08 905.9552335 113.2782347 254.0032208 4.07813e-08 70.11755588 216.2385554 683.7421065 2051.220459 2977.847288 3583.027875 19.40763934 890.1227096 890.0001787 1195.07888 4.07813e-08 65.4439628 374.4810261 87.84789924 73.8175615 498.2775483 4.07813e-08 144.0722349 223.2765329 855.3421457 721.7208957 1160.768579 1377.360514 1009.67051 3868.263211 218.6785507 496.9460094 3420.442421 4.07813e-08 4.07813e-08 258.717932 1718.350557 1770.654757 4.07813e-08 1523.177511 4.07813e-08 1847.72773 Mytilitol 2410.871854 3595.477879 2647.430435 5783.589591 2435.646624 1607.885575 1203.729448 3363.733573 1495.04796 76.09192131 84.83350807 69.25718715 100.0507699 130.0568199 23.54137502 66.90576807 32.79431274 206.0845156 2232.451473 1375.597239 930.2647346 2274.839399 931.9219777 2095.626941 578.7043493 2031.16636 3405.475852 127.5190339 187.7947824 152.9074012 359.1091009 184.3162374 197.2185873 576.2699777 1224.095948 109.4929266 2362.335915 4625.533907 3354.321765 1116.02904 1339.860923 3482.537554 1468.11813 3026.6376 2781.274136 1428.351844 706.9365309 975.3022868 1163.922698 971.4825817 172.9192275 1173.422066 101.5835877 3590.867999 Nordracorubin 7651.626544 3619.958162 4684.256711 947.4816515 807.9066061 252.1877922 1565.632372 6106.672663 3255.603494 11102.01884 9709.753685 13277.67779 8597.137195 11990.01315 4889.831628 7559.553014 36062.50516 10589.54514 7170.595099 2431.628017 3125.998824 3684.12655 464.7831209 552.0377447 2613.396771 2157.401806 349.6542141 8816.210591 13202.07728 6184.788843 17512.21217 10404.07825 8383.588097 17951.10471 12131.15211 10626.51259 13525.51176 1430.674025 4995.635569 219.7911084 2134.469316 2780.976738 23.45785043 2074.478655 1568.523314 298.7199512 1087.556559 2114.729975 3632.16727 1910.035171 9502.330549 1489.437919 7719.089086 1165.384134 Glycyl-Hydroxyproline 1898.524908 1898.673805 1525.574002 1182.126536 1589.742936 953.6744759 1118.369125 1589.669512 1428.848924 1459.931279 1424.914917 1133.22079 1630.775672 947.5209351 1367.283165 892.9867117 1025.468847 1050.187698 1448.808908 610.6664368 2602.446587 1737.991169 1957.45618 167.9916585 1384.119536 5177.443612 921.4028726 1198.729425 1343.520483 1037.206804 1299.882599 1687.905118 1400.956025 1662.110402 656.9141061 1040.738619 2870.630781 2244.94365 2690.811619 667.6349091 1129.719116 3435.87476 246.2339074 4086.743212 2629.362313 183.3692781 648.4547276 1115.644427 1317.459353 1863.889675 1640.62323 1069.530026 1226.182628 786.4676299 ACETYLTRYPTOPHANAMIDE 2115.447917 3331.079003 1614.067291 2893.908576 778.7980641 1498.729068 2284.580887 3515.181063 3417.526679 1204.411389 1386.728777 1117.658271 800.896739 686.4439738 1415.037888 1155.187541 1143.3347 1106.632725 477.9470344 495.675571 958.463259 306.0592504 582.9145127 421.6330833 359.5472237 723.1570715 539.487477 1677.940644 1086.641004 481.03852 1052.567902 633.2586972 872.5293945 1543.086394 1638.513393 989.6742247 773.7044048 569.6498672 1068.030926 826.393657 518.9659247 540.3732336 265.6694648 364.9774134 348.3610514 408.3549482 1784.414284 849.3908454 1733.660767 2594.622305 607.0250663 668.8945477 664.4718608 657.8193997 Beta-1,4-mannose-N-acetylglucosamine 759.1267463 1061.866556 4.07813e-08 611.1871216 520.5921038 600.588974 1356.029932 1101.887279 1111.633324 4.07813e-08 169.5408724 170.6832966 4.07813e-08 37.68802416 459.3994402 648.6541942 1988.872986 736.9422536 2870.229711 1991.500953 2173.29793 1358.290519 3143.722589 1782.288652 1456.602942 1566.122253 3533.301099 566.3724499 216.6752937 4.07813e-08 163.9702461 542.4206575 4.07813e-08 47.58874153 144.7460112 363.4491331 828.4941728 1582.544331 1027.549032 1787.641376 2687.198814 3362.708459 2071.585858 1892.837093 2709.42502 1402.929693 1918.019102 1588.591036 1695.742863 1536.927383 286.9690716 1131.387931 318.5461075 1256.688013 Kinamycin D 97716.94675 58202.08693 53885.67002 69213.01741 45691.38974 43233.51969 44709.80139 54469.95241 32377.31673 2067.742382 1506.570094 1553.612944 1726.736636 1861.743684 1822.671331 491.0645538 1253.169066 1987.853714 92639.39309 93210.86917 128867.4772 166734.4417 103364.2067 44153.27967 148710.5526 163056.3696 67072.43876 3099.032067 3092.348036 2180.064136 2722.508782 7125.374679 4010.342484 4092.038149 1290.21392 2078.290156 140102.1353 90248.85196 121293.8637 60367.58297 162854.862 151791.6087 43119.35686 124390.4206 281835.8031 23245.45236 35216.66907 49787.78068 100942.1083 55118.99768 5941.094865 31904.87142 1341.188472 35414.17348 Propyl 2-furanacrylate 1075.800116 794.2371491 944.3997194 1460.83188 1919.333895 985.5843994 1353.285087 1245.466441 747.737716 74.63643334 43.38479486 257.6684677 49.68790358 227.9721373 34.38719293 84.18379192 4.07813e-08 183.4557707 2074.521525 1914.011035 1735.114137 1966.272895 3244.291292 2085.340954 2096.492853 2269.256267 2883.369064 150.9490276 252.0071994 170.4667554 150.2824127 232.8485369 4.07813e-08 138.403775 46.52186348 113.8299914 1352.408869 1486.338113 1560.800577 2506.376361 2196.047054 2326.031519 2524.667585 2323.52984 2530.51286 1713.828569 1538.970724 1641.472821 1396.765264 1469.493902 268.3933367 1524.004787 138.912648 2262.278047 SP 600125 2261.53834 8760.780521 380.2726884 2693.62318 37.60082044 532.6598523 3035.296682 136.6562508 1904.439631 3802.173976 7215.483977 23933.0324 4490.189917 1759.409544 12396.73799 8604.254607 144179.9608 140.2355026 0.172481847 4.07813e-08 26.30134071 4.07813e-08 472.0318051 0.114891057 4.07813e-08 0.269323011 271.1051275 6204.031087 7204.424442 78826.95591 4570.734335 5723.971671 14728.84245 22325.6483 45313.8643 2.399235483 2344.794402 97.07022564 4.07813e-08 39.60330022 4.07813e-08 89.84083605 4.07813e-08 4.07813e-08 4.07813e-08 0.093167135 1050.62551 2520.38469 1832.943625 613.9678178 24145.54376 651.7169385 10834.73247 4.07813e-08 3,4-dimethyl-5-carboxyethyl-2-furanbutanoic acid 1996.169499 1259.780814 1392.804602 1560.131491 2273.995037 1660.084681 2355.703439 2101.402507 2400.546937 269.8197146 308.0855543 386.5354451 562.4665551 368.1236362 378.2002543 61.13801746 4.333142337 362.7784482 5448.680013 4410.068462 4504.917765 3398.337664 5351.492914 4779.051267 4137.494598 3492.861286 5443.499446 245.7327273 432.7060146 161.1280045 305.6778531 749.6737224 479.3002859 701.9024033 1.597939394 689.5710102 1982.420501 2670.156025 3475.437805 4449.160302 3561.910516 5409.913625 3740.806425 3931.950984 5017.513228 4848.215993 3624.679218 2878.465454 2954.160955 2859.641869 858.5959981 3293.094155 259.2147972 3701.268137 2-Propylisonicotinic acid 2503.138321 2770.244336 1954.684081 1794.235719 1617.473615 1734.659933 2754.979021 1599.170387 1162.490691 4440.416729 3770.605482 3021.278385 4590.069026 2801.769011 3000.61635 2030.461073 1457.118942 2487.26877 1899.318554 2001.862293 1399.571664 1691.704226 1937.093725 1747.772316 1627.465386 2583.856676 2367.258809 2718.975337 2894.513625 2295.397527 2204.061353 3631.220671 3401.966043 3724.109398 2037.365321 2072.374818 1888.757367 1484.084066 1447.630877 1186.688266 1638.171441 1941.333247 1610.228297 2186.198817 3013.151141 1536.89685 1524.705526 1262.490564 1535.217661 1852.222258 3268.910206 1382.078104 3048.711279 1828.692568 Cyclodopa glucoside 4.07813e-08 98.12671545 260.6408484 255.33527 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 978.8550547 902.9152257 1929.317463 761.8569707 1655.57747 646.9257467 346.7466471 4.07813e-08 118.6328692 4.07813e-08 18.72258552 97.3029188 4.07813e-08 276.8108335 4.07813e-08 504.2429889 4.07813e-08 111.4615195 1640.990603 1154.610586 1332.853636 1578.726172 1024.868608 2415.557365 3450.923873 2602.297254 2716.270569 293.3305979 4.07813e-08 4.07813e-08 187.2128478 33.22863661 190.4063141 116.8269537 4.07813e-08 226.7075012 4.07813e-08 4.07813e-08 4.07813e-08 465.3609421 364.7737589 1286.96088 4.07813e-08 310.1837976 184.8137802 Vaccinoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12438.49823 9869.158135 10088.48508 11753.95643 8633.163228 9987.522568 5588.565059 4322.736888 4180.773495 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11223.80531 12807.01287 7743.743091 10517.43327 14321.69002 9730.325584 17011.94399 6445.234 8318.763781 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154.3006082 4.07813e-08 12770.7676 4.07813e-08 11271.83582 4.07813e-08 LPIM1(17:0/0:0) 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 7548.726456 13984.17172 10432.10878 7623.081497 4355.121842 19657.47305 14684.97398 7361.153249 8238.331259 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2981.978871 10724.09168 1408.851095 11919.84539 4522.780888 10840.2138 14063.512 4765.824192 4178.739732 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3989.344597 4.07813e-08 548.7871521 4.07813e-08 4-Acetylimidazo[4,5-c]pyridine 401.2644586 450.4157157 318.1558095 735.6494337 432.8729614 568.6444957 694.5792909 261.1477574 338.0878183 2454.447396 2146.290482 1616.923649 2611.008289 1120.502219 1751.240043 1105.876661 1106.023979 1919.00713 738.1097017 1233.529421 909.9015443 701.300444 1122.71219 888.4141319 1313.308692 616.1609626 856.8380664 1943.907781 2120.389626 985.8127424 1320.03058 1454.546622 1359.290898 2663.402388 649.3446135 1075.310367 525.5995224 710.0872354 438.9997795 954.2249603 841.6250567 874.8694972 1199.840557 54.15470287 811.211755 1279.764181 742.2309762 756.8803297 773.3822648 876.3824794 2046.346555 654.7130656 1938.19641 773.5358189 3,4,5-trihydroxy-6-(2-methyl-3-phenylpropoxy)oxane-2-carboxylic acid 3810.143299 1245.151967 4637.154094 3734.82475 3423.145182 3845.113297 2810.28703 3816.631125 3797.071788 943.8828481 544.3320756 529.5231319 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 267.7927812 8273.262462 7690.366245 10156.60132 13180.38492 14561.17761 8044.907086 11628.55052 10080.04967 14377.06882 4.07813e-08 361.8330325 4.07813e-08 4.07813e-08 298.1143664 4.07813e-08 255.0220509 4.07813e-08 4.07813e-08 4564.970675 8766.003779 8615.703822 8843.173144 10209.75549 17246.30462 5414.016511 10556.70166 11073.80145 5636.564497 5639.13924 7122.062008 7465.927524 4299.596945 348.0270209 6695.680725 4.07813e-08 7254.45037 2,3,4-Trioxycyclopentanone 4895.874288 2305.629953 151.9333388 4.07813e-08 277.1959363 311.3547352 989.0670251 3402.55513 7762.272794 1093.626083 2135.000099 2494.869985 1478.347348 8069.499933 3578.689164 1857.934981 9384.889903 7976.424814 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5533.426442 4723.678275 5834.304714 5071.239068 6817.98272 2524.320023 2846.431673 4991.110483 8401.753379 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 592.6051135 247.6633482 1422.093341 3920.989333 7537.245243 291.6471385 3416.552053 171.8107309 3-METHYLCHOLANTHRENE 874.3344223 343.5143796 656.3656311 733.9036311 836.2517526 852.3343623 378.8739962 1280.107199 601.1017474 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60.40756223 1939.219141 1566.839925 1622.468354 1468.49585 2327.021195 1817.696498 1668.60878 1457.484659 2027.836562 4.07813e-08 4.07813e-08 23.3379676 4.07813e-08 4.07813e-08 4.07813e-08 20.86117302 4.07813e-08 74.28691557 1202.272135 1279.106123 1320.947563 1336.279845 2005.703082 1641.390248 2241.22074 1757.656003 2692.754982 1605.190509 1038.837849 1087.713797 981.6849015 541.8993877 4.07813e-08 970.1217665 4.07813e-08 1374.13187 HAEMATOMMIC ACID 1873.141492 1716.993029 2221.7208 1760.39799 1900.753371 2149.606325 2274.582787 2180.507175 1802.400879 329.9362026 71.04900303 70.11396445 428.1862628 4.07813e-08 4.07813e-08 71.16572679 4.07813e-08 32.46291446 3168.499902 3171.191973 2998.029122 2525.978744 4409.873403 3891.075188 2798.903766 3103.36239 4612.233728 26.97739921 4.07813e-08 4.07813e-08 27.14748528 77.25877463 33.92233403 4.07813e-08 31.96507541 29.01689297 1362.3503 2973.961141 2730.4988 2743.094369 3274.193634 3819.03102 3684.743921 3247.464964 3903.443112 4326.955398 3020.031786 3260.205059 2997.943525 2769.588521 41.33784958 3365.437522 38.75448958 3257.932654 2,4-Diaminoanisole 1692.155529 1546.659231 2064.400199 2154.350872 3718.977809 2507.03122 2222.460695 1276.168761 1753.165173 442.8086282 240.2507337 68.53388118 82.32483678 4.07813e-08 378.4196048 4.07813e-08 58.83239573 136.9597684 3742.289109 3371.089165 2932.893423 3309.26897 3934.345924 3221.417586 2874.217235 2585.820736 2833.116412 4.07813e-08 4.07813e-08 61.69924056 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 711.3728609 1782.555985 2805.312239 2330.49027 2708.615675 2847.72296 3652.384003 3658.213574 3082.875984 3267.839521 3578.936317 2513.251872 2360.577555 1911.687044 2049.834291 49.57834443 2353.272524 4.07813e-08 2467.290531 3,4-Diethylthiophene 4990.911822 5112.5694 3113.526925 2738.854027 3446.57056 4352.835279 4269.13597 3942.619756 3880.757202 2329.849704 1460.478436 1195.025912 1861.809991 963.2909921 1090.225054 515.5836073 243.2610645 2233.291411 7322.333246 6471.677748 21412.46836 9312.399946 6710.766584 5229.522298 5414.049421 6350.281721 5573.31814 1277.579759 1568.092722 662.4067096 1292.094338 1407.191913 1348.563164 2357.758788 4037.602083 1713.803993 5722.744055 3986.535547 5098.474415 5828.775896 6139.282033 6875.172246 5626.466289 5402.863777 5641.321852 4568.860133 2974.81186 3713.477506 4296.588848 4199.79087 1654.168837 4128.981749 1273.612834 3605.577163 1-Benzylimidazole 79.60697323 344.7938471 181.023204 78.88529455 4.07813e-08 62.06780747 72.07624525 313.0212306 122.6946452 1558.414767 1106.473891 331.6842399 1327.401855 98.08489414 1036.274003 130.428194 855.5542679 1973.334588 56.02334037 44.5334311 507.6420897 146.0413316 4.07813e-08 4.07813e-08 80.78857579 370.4295881 4.07813e-08 1423.500562 1598.682321 231.3509032 1148.444447 1104.950448 576.3089151 1561.76609 197.1508475 309.1933232 558.5263004 4.07813e-08 320.5031081 79.15984622 97.92410126 130.1411439 4.07813e-08 336.4661541 295.3736888 4.07813e-08 4.07813e-08 146.2566762 129.8370177 299.8184456 1395.833485 174.5822725 1165.238367 4.07813e-08 16-Epivellosimine 4426.796277 59858.37768 1397.840744 8485.899359 54.05150065 9019.139985 3600.334678 6117.983608 16264.76467 3314.153231 2237.832064 2555.43119 7304.549121 21561.09933 876.5019432 4.07813e-08 318.8000514 193.1349107 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12600.52087 352.1395339 4.07813e-08 4.07813e-08 141.6037646 2423.594256 956.8984848 4.07813e-08 2247.411743 4.07813e-08 4.07813e-08 203.856878 41.36973783 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 223.1687223 32101.84198 9211.61119 56050.31692 216191.9183 1713.835721 10634.9547 10908.57201 29255.57042 (S)-HDAC-42 5519.167499 6828.926863 2362.128518 5199.225071 2313.339102 1793.331149 4299.783098 6679.540804 4595.27442 1635.260994 1549.370674 1645.03499 1524.833681 900.8141357 1406.801003 1005.157037 2037.600972 1549.019776 982.8200686 1136.510492 3884.838655 1044.298635 1416.489672 1086.219174 993.9793858 2194.016805 1090.689223 2034.456301 1475.169969 1014.428286 1812.985236 1141.598494 1116.210077 1603.348017 2882.769836 739.0606241 2967.575521 1612.190509 3048.833645 2353.814829 1762.956988 841.2464214 728.6362484 708.4950822 1544.640067 1145.6388 1713.047976 1180.476234 2614.766336 6678.577276 1080.636564 1103.242022 2485.342457 655.6029516 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline 2650.221958 2160.482611 2442.992584 2194.687026 2310.136009 2604.150364 2617.627478 2977.21096 2955.184516 2343.383182 2999.443376 2601.143326 2717.868768 1202.290162 1683.166544 1814.09709 1232.734894 4753.413322 3941.318475 3492.497671 3782.522937 3819.599704 4092.775722 3668.029128 3183.554663 4790.997697 4556.589114 1925.269306 3103.877774 2766.748535 4151.859293 2359.194583 2095.528202 2767.821699 1751.833526 2044.687718 3258.177062 3287.476345 3198.568974 3381.112363 3785.090519 4274.216247 3602.580263 4757.388889 5105.80568 2816.330639 2587.637086 3243.848806 2712.88765 3052.366976 1940.011522 2953.258216 2541.52524 3318.681984 5-Androstene-3b,16b,17a-triol 1121.163938 378.4694783 294.2994915 879.0525132 1387.688763 347.2672325 229.6575274 1569.762951 1125.712392 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 393.1262277 2424.343096 1178.751184 2970.946659 2827.384362 2455.397154 1146.673073 1180.772624 1289.173864 1057.696495 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1169.560585 584.7265521 856.7466359 736.2577895 2938.27335 1637.583735 1649.944337 887.8876775 1315.797361 1570.178063 2195.532423 1326.912895 513.8510713 534.4871276 543.9291198 2382.002494 4.07813e-08 741.5899604 1,2,3,4-Tetrahydro-6-propanoylpyridine 4.07813e-08 4.07813e-08 540.743943 512.070012 678.1815734 184.8461269 679.7767102 801.0878669 613.0863277 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 676.2417029 1468.440083 74.13209428 608.8544406 1518.654831 2630.910738 1632.024794 1360.807438 1749.024962 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 602.2161283 584.12403 18.08385571 759.1551834 1452.001588 1279.53146 2770.977017 1467.2891 1170.252903 2004.452648 1449.754732 589.1796574 137.3559223 105.1615328 4.07813e-08 495.2797199 4.07813e-08 1992.27706 Diethyl glutarate 8671.365448 6058.337511 8306.404894 6543.124459 11392.50665 8116.160259 8730.955026 7164.089471 6462.472056 2848.612391 1893.850335 1163.121084 2361.554151 880.307618 4104.041377 496.6806963 115.1766605 2028.845566 14682.9558 13749.82678 13645.49755 10881.95135 15977.09358 14582.5757 12790.5052 14183.81955 15577.20757 831.3230039 627.0988011 792.3143577 522.3749391 916.587718 1128.508741 562.8776255 101.1133458 801.1192267 7307.9637 12606.26781 9923.675786 12338.03761 14783.44235 16546.01576 13315.65558 13220.37243 17467.86312 10082.41127 7264.998208 9725.618347 8383.618981 6453.206221 1396.383345 8693.07297 130.6681649 8734.750598 Methylgingerol 2105.200178 1066.362838 1458.625206 1784.463802 2131.447586 1960.056468 1043.623402 2359.251463 1913.340199 120.866202 135.1191972 255.6747648 130.9279204 4.07813e-08 113.4617473 124.8431685 177.3210563 4.07813e-08 3955.907766 3696.176184 3599.965581 4707.171944 4394.90657 3675.300376 3592.810833 4262.773335 3224.717532 295.2338187 144.0099377 290.7831048 331.5973489 685.8571609 209.5725395 343.0879539 4.07813e-08 4.07813e-08 1512.940031 2708.608469 2932.367479 3746.474917 4776.233748 4546.656653 3260.348248 3585.327588 4224.801197 5777.503167 5948.86976 2588.659755 2156.788797 1909.481429 602.8732471 3079.13551 4.07813e-08 2778.548201 Gibberellin A59 1134.257626 2109.947061 1040.129594 1318.134048 3361.896584 286.8475944 1969.281115 753.0812848 155.368825 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.145583529 4.07813e-08 4.07813e-08 320.6502943 598.0939858 918.2062945 7479.998553 132.8682303 4.07813e-08 1827.366592 828.2587729 127.5489835 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22440.82536 303.2006538 982.4520328 436.3687685 640.9892459 539.862325 119.1779178 1167.239041 2951.246915 745.5423867 724.4762317 556.9386406 1617.819165 2931.395398 4.07813e-08 399.4512619 226.0157167 664.2572328 (2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate 4107.688434 3812.41087 3957.292313 5563.211371 5776.075093 4555.664609 3627.066001 3672.04073 3755.137089 107.6371909 122.1373532 170.8286601 178.8555471 126.8882581 248.4701748 101.5162571 4.07813e-08 748.9335438 6549.751434 5728.134958 6499.726762 5461.091178 5127.755764 6401.83423 4848.613571 6256.170804 5714.947714 176.9277494 109.5599202 154.5366217 222.1679051 138.195925 41.20926294 58.77971788 117.0489753 140.2446568 4039.273154 5002.660075 4169.69582 5232.127734 6394.432566 5617.034393 5898.867304 5835.336666 5672.412191 4999.299959 3512.592439 3927.774517 3634.044334 4580.822192 860.5746919 3713.580119 126.3308678 3714.548003 Ketosantalic acid 3058.967326 2065.7246 2423.146817 2447.973167 4261.041572 3973.555138 3205.948956 2559.926925 2056.790891 72.06049921 68.70027514 4.07813e-08 208.8083853 4.07813e-08 164.3962638 4.07813e-08 4.07813e-08 1094.970539 8531.125464 7457.988731 6949.514328 5690.008927 9218.238975 10881.90507 6269.204893 5467.998519 7971.053595 298.0191903 348.6258324 164.6713533 492.01843 472.6975141 222.8232818 64.5044262 94.4785043 386.0440713 5187.49406 4979.675604 4948.479565 5897.051822 8503.356557 8354.970788 9392.738255 5965.10211 7592.735839 7722.601039 5776.538786 5294.475667 4459.777551 4838.630913 879.448018 4686.69719 185.484871 5252.827712 LysoPC(14:0/0:0) 15680.39722 12738.51646 21973.11133 24980.02002 28288.01064 20968.94817 15979.09326 7022.371908 9914.689738 4852.321517 7061.058489 11059.36091 5776.453515 12333.14166 6154.670098 5534.542195 3193.851486 2371.701922 26885.54528 32024.63519 23138.56419 22188.29284 31578.55059 30297.41424 25982.23951 28177.82743 31325.07576 3884.925022 6625.507156 11732.48371 6046.357042 10179.75022 11230.37752 6076.365334 6250.57148 11306.30381 15855.9169 18301.18429 19604.16813 25735.68566 26643.99539 30847.68199 28242.65048 26967.50286 33362.96083 29066.63383 25259.45581 21136.04837 16685.34143 14478.56805 6656.061736 19462.52081 8057.022742 25035.86159 Glycochenodeoxycholate-3-sulfate 10700.26955 11597.7633 386.9098726 1612.974841 1435.869728 785.8925459 360.2655086 1280.935079 5947.284612 31822.04943 74348.85506 69247.34009 28727.81908 109399.3113 84642.83977 65126.92482 188529.565 45609.47473 37.28015023 715.6627142 412.2740197 53.69311448 363.4219583 309.6810589 40.56563297 483.8601212 606.8881862 182796.214 28425.00686 56103.37788 10344.18418 39511.02684 57563.81684 23650.54102 94733.32429 63268.76096 1549.847434 238.5328656 549.2487269 271.9981716 306.103333 806.9401334 109.5911683 725.55749 34.419461 61.69732077 2623.049568 951.5533175 2421.800225 1322.392674 36959.36802 888.0010846 26118.59476 730.2821673 4'-Geranyloxy-4,2'-dihydroxychalcone 7861.491017 5968.743652 518.1227914 4.07813e-08 4.07813e-08 4.07813e-08 814.7443865 4514.097899 11422.315 1777.279392 437.0820504 356.8475391 2429.50308 1008.785815 288.6766269 4.07813e-08 1298.845824 3158.470512 16759.71972 791.9179696 13870.52762 12923.79866 604.1743906 4.07813e-08 4833.582147 4.07813e-08 11881.63846 1800.488428 651.6388717 4.07813e-08 2142.849819 2331.696519 556.3952698 3298.609978 4.07813e-08 4.07813e-08 19248.99216 2920.351792 15890.59653 4.07813e-08 11209.47391 7985.635052 4.07813e-08 1435.412374 369.0377456 4.07813e-08 1658.749907 990.2047955 13264.54077 5278.036204 5136.209966 8434.273053 3849.007445 282.6275505 Petunidin 3-(6''-acetylglucoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9917.270326 10568.90435 9479.062898 10799.49324 10913.18332 13265.59754 6343.822453 8109.714509 11168.63706 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9704.335883 8749.658379 7326.596073 6844.068793 11962.78743 10685.5111 9323.698225 5919.741414 10004.86353 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10846.35469 4.07813e-08 8850.930925 4.07813e-08 N-Methylanthranilamide 10349.58863 9706.100311 9173.93416 10096.03576 10959.77285 11908.86654 13041.47382 9679.594063 8959.077654 2782.456667 3533.759341 917.4906338 3937.087352 1117.234002 3930.874258 723.8866567 648.5874976 2862.919466 17274.08483 17022.8173 20423.67122 17051.66751 19522.64085 18003.65406 15487.64349 15805.98053 16145.90826 1057.368063 1567.155868 1233.306363 1512.34904 1631.815539 1930.939271 2477.612775 1594.465671 1790.734499 11456.56229 14516.37598 11905.96165 16257.76559 17142.59638 18782.19039 14786.58165 15112.2022 19909.24066 15114.42609 12257.6601 13276.4171 10981.43007 9847.103445 2955.183787 12153.75702 2000.941481 11048.13732 Lipoyl-AMP 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22896.93785 17190.52381 31970.82017 24797.15989 22850.89713 34937.96737 17216.93636 32161.03586 34130.06758 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80804.75076 54385.14946 12125.93521 60245.27005 65887.83451 21660.0867 78437.72462 30137.80032 38072.9273 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76550.72084 4.07813e-08 61604.10043 4.07813e-08 Tetracaine N-oxide 5014.517727 2480.079978 5092.271384 6628.82559 6461.371872 9576.055728 5783.018828 6172.97185 2714.831624 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3133.45365 5917.259142 3245.205525 5389.150512 4488.951222 6692.500621 4318.645169 3050.054367 3527.937043 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3023.37898 4825.688753 2299.803247 4089.021257 5769.290057 4554.628265 6805.791371 2913.180402 2592.258844 8047.668983 1902.026186 3453.750669 2986.531712 1800.703434 4.07813e-08 3533.225607 4.07813e-08 8332.394318 Carbazole 745.1556919 715.6444339 713.5923152 1774.947234 2126.232574 2401.502091 3893.169024 211.0342629 517.680489 14.92634629 108.3784854 8.092076142 209.8628897 132.4494964 4.07813e-08 9.634383645 104.9885074 523.383865 3363.339057 2802.643358 3426.275806 2998.959092 4008.766727 4977.358838 3957.088127 821.720401 1867.347967 270.8117676 4.07813e-08 380.3053202 4.07813e-08 330.1978887 171.010476 4.07813e-08 168.5993196 277.6503139 923.337935 2234.021303 1315.908882 2706.580042 3911.301701 4068.042866 3390.045814 387.0007077 2284.177278 2749.441734 1811.744361 2845.508584 2417.608733 1245.53095 45.37180077 1992.901011 143.1750239 1558.826595 5,6-Epoxy-8,11,14-eicosatrienoic acid 1578.473933 599.6309012 3382.085351 1125.143491 1816.170573 3400.086742 552.5211991 4269.000866 1739.915444 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3148.181254 5335.702565 12981.41373 2634.478044 4730.774049 13090.56194 3218.756346 4749.041074 4042.894081 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3388.770817 3462.112862 14772.51119 8825.415761 3083.12875 2916.32242 12803.11316 3732.07756 2532.182904 1868.686762 4322.195197 659.2934893 2859.889329 3741.286361 472.3742448 519.4007616 4.07813e-08 792.1766269 SB 218655 3086.68966 2695.636031 3628.917951 2603.37472 887.2926426 7905.510468 3839.325061 6335.450274 4435.896429 4.07813e-08 87.10901128 4.07813e-08 4.07813e-08 4.07813e-08 355.193492 4.07813e-08 4.07813e-08 132.5945975 258.1859897 4.07813e-08 890.2505626 4.07813e-08 87.58492954 79.65997691 1681.679415 4.07813e-08 4.07813e-08 367.7441104 152.0174182 4.07813e-08 4.07813e-08 497.3105514 4.07813e-08 1684.453953 4.07813e-08 4.07813e-08 3315.651604 4.07813e-08 323.2899613 154.5446705 4.07813e-08 215.4947292 4.07813e-08 167.3395202 107.8411815 4.07813e-08 2953.726745 1683.390423 4622.7205 4286.211279 24761.77485 1799.639308 5977.354655 955.3255991 Macrophorin D 4.07813e-08 4.07813e-08 4.07813e-08 9.350065458 10.20828725 0.401320872 82.13661524 5.130277135 585.4459215 495.2512301 2339.384124 8861.083364 258.7228318 7183.704169 2383.626104 14520.83603 10656.64665 9493.379205 92.83616812 312.3147236 109.2801338 1.083458196 244.70136 382.710284 7.418261886 68.49124823 1494.608476 2709.508512 2325.6802 18079.60333 601.761916 2665.323414 3196.006923 786.6433322 7320.556358 13748.55764 4.07813e-08 108.1987777 99.65735443 157.4430094 44.80954377 4.07813e-08 18.94315265 288.1914232 29.9019774 320.0099072 88.14850315 4.07813e-08 31.56218582 5.209397335 1051.470072 187.0898092 1095.414579 4.07813e-08 12-oxo-9(Z)-dodecenoic acid 7842.422401 6000.189862 7463.42229 7424.804443 8808.956081 9173.74749 9607.654405 6622.303139 6037.802632 1780.869398 868.4346423 707.478459 1872.048868 945.5457358 853.8474923 655.1394109 694.6143845 1140.735582 10413.23768 11211.50727 9522.068311 9788.349934 12246.23516 12637.04045 11069.20026 8633.192546 8819.881941 587.1177815 944.5299416 1180.383007 1354.603928 893.266097 952.077958 1030.636126 1958.512569 1170.172527 6168.992184 9774.235398 8469.330911 9064.961741 9760.906994 12113.94187 10465.58124 8645.024491 10398.36618 10134.99473 7645.440502 9747.211322 6920.613405 6653.615209 845.2416295 8554.878188 1362.052297 7388.606262 Tetrahomomethionine 193.1560985 1066.191362 4.07813e-08 78.60231219 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3200.343598 3731.602252 1751.559017 4568.837417 468.5816296 603.8941906 798.4977931 3243.489584 126.2053207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.1577752 4.07813e-08 4.07813e-08 4.07813e-08 445.5933288 911.8594104 3614.901023 984.734222 627.52923 1243.764785 3709.152263 2255.17244 77.51956513 125.4046081 4.07813e-08 4.07813e-08 4.07813e-08 26.3894639 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 177.9623524 1334.914666 4.07813e-08 2261.266688 4.07813e-08 Sebacic acid 2072.302267 2286.809356 4518.95333 5046.385274 6547.676264 5260.393913 4023.23964 4350.508053 3419.313739 119.3265226 112.7991394 476.828018 378.0786603 137.4449116 471.3965385 4.07813e-08 4.07813e-08 4.07813e-08 5013.013045 4450.846743 3914.716372 4115.929233 5848.485436 4035.284232 4561.178696 5216.381721 5269.62431 4.07813e-08 115.6654171 406.2185815 4.07813e-08 132.4767799 153.9883977 117.4138862 4.07813e-08 185.4340094 2146.897929 2961.380415 3327.87853 4818.826893 5201.873184 5864.606514 3641.693633 5357.179992 7689.328653 3439.521237 3631.889173 4287.356832 2284.400599 3112.843905 291.7848537 2741.144452 4.07813e-08 2530.852909 Granisetron metabolite 1 6896.149426 45652.64205 7262.694559 10455.67504 6742.635123 8439.965996 29040.67175 31038.05428 12297.03316 113937.3378 91904.2735 45785.1337 111027.3829 38930.88303 56337.70633 27344.97771 4084.714026 55225.52376 5039.492213 4869.476962 5319.742899 5216.531778 5174.697219 4300.088222 6724.153341 4919.134397 5827.776489 15192.58451 77912.48463 52797.8948 64063.65106 100082.5018 66724.98231 92490.56309 29506.9594 38766.62424 10059.35682 5312.045336 4193.846259 5461.045074 5693.395372 6963.556521 4456.088027 5377.637517 5578.669485 3272.887746 6033.515251 7205.622362 17839.34339 28209.90742 100326.8684 21021.82913 68531.98907 25747.46987 Dihydropanaxacol 16652.57862 14234.38306 15883.23187 13427.48378 19063.61632 17902.93224 15586.32645 13752.02336 14612.67689 4290.394889 2108.698304 893.6673288 4453.49246 4.07813e-08 703.5855197 237.7772179 126.3952356 1418.230707 23656.98208 24648.4436 19517.51876 22597.89465 27906.14581 24489.02109 23119.31954 20679.22151 20587.05812 4.07813e-08 2079.806403 1065.51875 782.3337995 2127.921403 860.4911208 1241.704124 4.07813e-08 462.0820383 16837.9669 23503.77444 19894.94788 19120.83813 25673.10003 23187.37424 24414.98104 19045.54822 32155.59486 21488.80158 15209.63191 18149.10071 13075.92984 12500.4568 1603.855789 16303.07999 1731.839034 13831.33939 Dulciol B 4500.659483 4401.09285 4977.245416 5060.459451 5374.123016 7798.132862 8507.953362 4609.959801 8504.326074 457.5833892 3861.402848 166.4938853 310.6890912 537.6827769 445.7631372 4.07813e-08 1248.701988 1026.559188 33726.12609 31637.68572 25320.64066 21821.27029 38137.39936 32762.3456 23855.5891 30471.89078 33675.43644 148.6477472 688.6402768 1017.18296 837.5148041 10242.48603 859.4741765 3245.183013 0.385789975 3654.723152 11920.40693 25103.81816 17676.64086 26198.02688 31736.31006 34136.92717 30018.90664 28995.59669 44677.23385 21360.43271 9158.94206 16302.76147 9424.011806 8857.527624 5257.313162 14831.35844 2166.486481 15515.96979 (+/-)-Isobutyl 3-methylthiobutyrate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22298.9453 8721.389465 1115.403038 23419.93474 1000.090841 4471.634373 956.9589591 313.4600714 1486.203244 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1143.322815 2220.649586 435.0267586 1835.995714 864.5794264 1531.957553 1958.476007 1524.323877 426.2593768 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.9397415140000001 25.78737146 4.07813e-08 4.07813e-08 27.21405491 4.07813e-08 4.07813e-08 29.33413597 4.07813e-08 461.263682 4.07813e-08 175.5922937 4.07813e-08 2,4,6,8-Tridecatetrayne 959.5700721 433.1640602 361.8402397 4.07813e-08 130.6320982 475.4458548 1155.223301 1866.565424 2241.512297 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1123.084713 7045.77729 458.5107567 803.4941367 7170.755752 1414.130545 2097.16052 782.0459226 5509.703024 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 255.8014077 2210.242898 41.41197489 1687.79587 1423.729985 4040.412417 1769.421666 1043.366715 2428.130177 4278.32483 2189.545837 3111.259793 1153.538146 279.533299 4.07813e-08 597.2682918 4.07813e-08 4121.614557 gamma-Glutamylarginine 1931.615168 2559.190465 8357.633601 5717.65541 15050.60894 6453.984901 3638.389315 19540.062 10125.84837 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 109.6007437 4.07813e-08 143.7553171 972.4056896 2501.313854 5277.665121 2911.218266 4195.492618 2964.697759 3717.928536 2914.180828 5320.008563 5061.003773 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2596.202259 2636.702131 5692.202036 2804.351148 6016.166312 2171.836685 3177.800792 5416.504966 4879.999439 8580.350369 2385.092842 8652.653856 8056.112749 4205.284113 43.28141705 4397.08814 4.07813e-08 2583.906145 Tiletamine 3631.61458 1648.491493 2538.045223 746.2706907 2060.194311 3737.271708 2813.972876 751.7075055 723.0964507 152.5319169 232.3312232 330.6108588 107.7865021 0.967907422 193.1824527 0.155364762 5.553105394 1.125561057 23138.02114 18305.93449 17277.42823 16774.25408 22605.81408 19815.8126 14553.38702 20661.68622 21133.32372 13.81650059 846.8376322 729.0229015 260.443712 540.7423172 12.30723486 621.6738229 0.135642351 861.616569 7831.27148 18820.68834 13223.89087 17365.07975 22882.18582 22201.86245 17448.15387 17810.77317 27560.55121 11078.80158 8122.720112 12982.22705 7964.700483 5955.292263 508.402669 9343.618171 104.470836 10178.54008 Mycalamide A 4260.100149 8817.029883 14602.89907 10890.85482 15237.51497 10058.17927 13534.35218 8051.655507 21131.42088 401.6041531 289.0527234 1564.019456 453.0999114 2461.149557 3156.792395 81.85553883 24075.86883 10085.69087 10970.64003 11445.21404 17443.41157 11322.18068 20323.33041 15127.54438 14829.36728 12822.80003 71764.21101 659.2922224 330.9891247 156.8315964 48.12424464 213.2453521 145.5478416 215.8708772 276.0566829 10.5888722 10251.78781 13497.83898 21099.01055 20198.60385 8146.026099 19268.0559 15273.86192 10377.92751 77659.64397 45144.8071 18339.14206 15308.01586 13786.16912 6805.916187 1515.154546 15387.6457 291.9935629 10888.16426 Decylubiquinol 32475.20038 26110.15682 27269.55414 30005.57957 30068.54325 34648.20958 33280.64701 30034.96824 25497.80766 11241.20784 8743.628377000001 6242.761944 12039.4747 6448.450463 6097.367488 1661.519 1977.945154 8684.14374 57549.50543 62149.93783 44758.21548 49494.85671 61645.62198 61138.41951 48561.26451 52059.35453 53605.85946 3316.865068 8007.059584 5303.526036 4261.519284 10087.47747 4060.698404 7456.723259 2551.888749 5099.805918 32168.67698 52357.87587 40925.85854 46515.16597 63335.66403 55974.45979 59035.95975 49244.20792 72204.22293 42208.41585 31668.66648 42870.07011 29732.01046 25877.53472 8080.577091 35996.52684 5128.496841 35336.20901 2-Phenylethyl octanoate 1025.196138 526.6497248 1194.866733 5413.765647 1035.587922 4123.463842 1533.614349 1253.021148 1594.453157 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 332.5712129 1694.917456 985.6794165 557.4374772 6058.411512 604.8200532 3393.484274 464.7926082 4.07813e-08 78.98181466 4.07813e-08 4.07813e-08 4.07813e-08 383.2313135 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95.54732122 2057.750727 1283.875154 1558.469401 1033.560911 4688.507463 1216.242588 2921.544119 191.6681518 4.07813e-08 1561.382346 1742.73666 881.9171792 5113.711798 980.2384106 84.66619039 1740.058699 4.07813e-08 538.0816623 Disodium succinate 15972.69345 15246.17146 15933.00697 15096.121 15421.21602 14487.10659 14793.38725 14050.10356 15391.94349 11310.95725 11126.51176 10981.96602 11611.06648 12361.2692 9213.757471 13630.95913 3182.723706 13783.68442 10861.92907 11516.09886 10897.54206 11386.3689 10723.03646 10705.30323 11367.94775 11714.10789 12046.93977 6410.144524 14423.08573 11767.30877 14810.21673 11002.09746 11736.79988 10829.17931 8654.32415 14270.16049 13110.19869 10899.00509 11360.14657 10003.19648 10801.09272 10756.49768 11307.50766 12416.33416 12677.07961 13469.78708 13414.74744 11548.9386 12404.81748 11646.53948 10439.64827 12561.04708 12281.26849 14772.5356 16R-HETE 7314.429604 5293.918221 9537.489815 6762.141399 6354.098757 10237.05333 3498.287546 5251.354641 8212.643608 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6750.737232 6263.677599 2990.44223 4816.418208 6152.397954 10599.36279 5823.499395 7626.393333 5157.005258 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5231.124111 5114.283263 5077.111068 5429.20801 6293.750309 4119.416168 11070.72057 5948.279461 11908.2072 12209.64095 10108.79724 1949.897105 1787.570521 1674.17134 4.07813e-08 2125.618516 4.07813e-08 2545.648093 Isobutyl angelate 723.5187538 712.2445163 1079.057657 594.8114735 206.805318 1098.483056 500.8411401 816.1881229 891.9528918 486.9838003 1279.631782 893.9505959 501.5830658 967.2376261 521.8189626 650.6425285 521.9781717 596.4673086 659.885241 1168.405197 1542.623897 1534.79753 1559.55191 881.8483353 654.6518284 830.0765038 741.5786039 4.07813e-08 950.9553033 877.3354427 692.9343754 381.4662346 608.1257587 677.2128005 692.6475923 113.9048792 669.6284368 1001.142361 542.4669917 984.0417006 942.9716085 1143.26965 1288.680936 787.0469682 1174.377438 783.4271584 864.6166992 719.2263589 436.0646938 669.2031938 494.9942862 673.1723529 81.62225175 958.5365296 3-PINANONE OXIME 902.3123114 1807.551857 2941.756464 4594.477644 4746.437778 1609.669535 364.514052 4237.652326 1561.720235 1026.778921 1773.976434 3160.808237 568.4839531 4379.925998 1359.606144 17402.40935 11908.90819 2096.720222 1953.074224 475.0229338 2790.037174 1551.813187 3853.499446 1413.516767 854.6630065 1784.762505 1273.480965 3608.129826 1463.533168 4613.887239 1011.546057 951.3062118 1121.761821 1362.179508 9888.928158 3148.05373 1006.605602 1537.615437 1999.61417 3062.849657 1863.980971 1585.315253 1304.603952 1755.972751 1150.052051 4.07813e-08 964.1631617 1641.090043 1348.839264 1118.08601 227.8098485 1634.826097 955.4818002 1206.759888 8S-HETE 12573.99766 6061.500875 9675.951441 12462.48252 10855.44867 14937.28449 5918.12176 11184.2221 9986.035153 113.7953742 1315.929486 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2235.067942 23777.19276 14761.80672 20680.28631 19990.25844 23763.05153 18401.80416 10890.58476 10037.93379 13691.42976 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 495.8922203 4.07813e-08 1165.40553 19052.59058 10023.73051 20273.86407 15020.57092 23711.54546 17189.08556 17045.79044 6820.612008 15354.06447 12962.47111 8691.560048 7126.884481 7531.265906 9364.123514 556.2209503 7298.819367 350.2494421 9379.174421 Obtusilic acid 2935.88005 161.0525342 2067.246034 2129.236517 680.0128307 8122.602995 2565.824166 1911.288783 615.7748471 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3645.327648 711.9133681 936.7136288 4411.00775 2185.198917 2914.998341 87.22744952 2072.616328 2395.417115 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4807.70706 1128.104738 2154.416096 1131.047841 4934.535456 1624.836325 3319.046286 1874.094625 1096.180658 4.07813e-08 871.5538412 1327.624141 761.3533513 716.8109743 4.07813e-08 1096.296136 4.07813e-08 1910.341265 Ethyl (2E,4Z,7Z)-Decatrienoate 6184.512648 6001.35827 6477.369799 8541.845729 5863.458386 7838.062215 15258.13055 3457.368489 5134.871465 480.9838344 4.07813e-08 664.4256924 355.2925243 1020.895614 154.4110845 628.9958711 199.3024286 452.3486258 7300.996634 10281.61092 8750.68111 9767.797128 9773.234304 10616.79714 13291.76223 3181.655899 4579.700709 48.7666248 301.7607698 142.9049165 299.5826061 69.16555174 4.07813e-08 241.4341331 429.297801 1665.025228 3570.912976 11254.97454 9880.975897 5639.500305 9126.790356 10924.7486 10268.13099 3412.937375 3719.896895 9676.850053 5769.292316 10822.88379 5657.310331 3193.901794 741.8881161 9337.312692 65.32783271 4281.976092 Eupatoroxin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1358.499877 8162.215281 4.07813e-08 1107.158099 171.831492 4.07813e-08 16588.55446 36141.81336 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21413.44843 4.07813e-08 7824.325251 4.07813e-08 9704.670492 7871.714449 153.9695311 15328.04718 200.3580507 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13780.35861 4.07813e-08 17662.37031 220.7671373 1-O-(2R-methoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenyl)-sn-glycerol 2470.029513 26906.14954 15875.1284 19034.623 9691.972667 26446.37328 37246.09559 13302.85054 15482.46762 951.1046613 2483.842758 5313.863371 944.4654378 13950.58439 14808.50051 14511.63879 30799.70947 6233.344327 20853.72751 10719.81052 27597.64903 19069.88876 50962.06255 44942.45774 29634.39356 17552.4605 41483.19562 9232.396454 1761.910062 776.9820684 2301.75777 3020.536903 1293.994773 1580.327541 7061.721392 981.884259 5251.595032 24982.67549 32546.84837 26465.18992 25868.56542 31425.08357 44071.962 16356.26796 59318.92145 145941.4392 22270.68031 50972.48926 18621.36536 13306.44619 2396.316572 27618.60004 471.998909 38088.64653 3-Methylbutyl 3-oxobutanoate 11381.30604 10529.27773 12287.08977 15342.84235 17270.39347 15268.67613 15329.53225 9998.339704 9469.109514 3087.461813 1812.93316 304.9839696 2406.278408 255.5037104 1375.394976 110.1240945 4.07813e-08 488.3019216 18837.60564 19207.00538 15149.96053 15385.33665 18912.40519 20151.38958 16926.38491 14389.22535 15965.82744 4.07813e-08 688.7792086 1580.397753 822.0186659 2527.203487 564.7630093 686.758593 131.7173689 769.5483703 8342.592689 17577.04408 12632.45848 15051.79285 18620.57799 16514.7097 18481.37976 13345.0101 17711.25169 15337.82486 13116.81722 13493.09693 9245.102242 6475.9913 1558.851505 14462.66527 1202.426002 13564.08881 2,3-Dimethyl-5-propylpyrazine 2158.73824 1241.985246 1604.696864 375.1700046 655.6322234 3569.613685 2485.78169 1308.455923 2309.531201 190.0971071 4.07813e-08 120.871061 307.1818359 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 106.1233822 1987.312079 3541.279517 2311.910394 1791.154468 1945.016623 5103.580935 1764.493152 1930.897222 7411.094753 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 167.0481721 4.07813e-08 4.07813e-08 108.7844048 4.07813e-08 1649.368145 2548.33788 1164.525285 2641.643637 2408.833827 1841.119061 5437.400638 2151.700977 1642.577829 5399.060946 1940.668364 1873.754403 1788.334863 983.6250781 4.07813e-08 2155.735276 4.07813e-08 4151.820779 LysoPE(0:0/20:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1349.253229 4.07813e-08 868.8349798 4.07813e-08 4.07813e-08 12245.16017 475.0169372 1063.685279 16188.72788 3606.756103 65538.38846 22835.20782 4.07813e-08 4.07813e-08 5308.894111 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20721.05765 19898.02361 945.0153778 33157.44589 394.1664256 2628.112285 18747.56277 23097.27777 1994.302958 245.5045701 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 477.445946 4.07813e-08 303.8319183 4.07813e-08 6971.201922 1023.651857 3319.698936 4.07813e-08 alpha-Terpineol butanoate 6176.219275 5006.906087 8432.344478 9960.33751 9222.566158 9862.070835 8236.325168 5691.821062 5860.635914 670.8779836 544.6131748 270.6856533 716.634297 360.0027057 601.8685506 398.8457888 326.9904225 146.9034363 7161.574088 7543.175459 7669.003916 9120.240236 5834.417401 9648.696899 6540.148018 3624.005965 4960.679962 251.6281137 535.4820346 541.6472123 1223.954105 657.7520868 4.07813e-08 403.8030253 509.9189805 931.8618622 4889.210753 7871.554839 6064.737625 6486.293446 6433.980981 6040.773187 8609.364766 3758.483974 4188.641222 6995.256286 6264.030111 8120.455391 5855.322926 4556.041473 449.1989171 6128.574243 600.4213128 7788.462126 2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile 108861.5347 267735.8148 238579.8488 255178.0935 252646.5566 223583.7373 107450.337 101494.773 64550.43093 57085.52367 6825.504472 97625.19656 55823.08104 16140.72848 4111.419422 5749.548141 2552.950573 1082.396477 166623.7381 225233.2659 133608.9396 74904.49539 158827.5936 117248.6091 147264.5525 240297.0239 239255.4324 4590.622995 4061.514856 34930.35956 20097.10048 2536.289606 147163.5024 91634.42006 72394.47336 59496.75085 119447.3758 183717.449 109837.0542 123149.23 105343.0589 135959.0953 121652.5334 280893.3279 221681.9131 126283.1937 39378.26696 99774.78385 80190.43063 92647.45 27139.39718 71117.82894 29951.20952 91486.49008 1,7-Dimethylguanosine 604.6088806 4969.203036 531.1702859 4.07813e-08 4.07813e-08 4.07813e-08 512.8330385 2545.5547 6864.58379 8520.806342 6463.487092 2359.752643 7526.73683 4692.352387 5697.575014 3879.182416 2414.762195 8882.048832 1656.735206 408.6063161 2282.48989 1020.349922 871.1103239 620.8590268 2001.546184 1921.518617 1138.501241 4902.724901 7006.409914 3018.168356 3338.770475 6003.378298 6468.249938 4987.449187 3605.45724 2801.411929 1778.222867 1086.716225 1148.53338 1314.046134 1023.831115 1047.061027 991.3013248 461.561887 2221.128386 29.42879853 1119.037505 1106.587324 1943.981898 2924.297028 4142.928097 545.880087 5028.494621 1207.681699 Serinyl-Aspartate 3384.699212 8874.013026 2407.124048 2942.470164 3124.007561 1565.560423 2575.018302 4907.368307 8393.092957 42744.82235 40547.86131 28161.9469 50042.45973 30116.52121 27058.23518 30684.29777 20264.5744 51517.65237 2448.556334 3658.60566 4200.973416 1169.39696 2978.539405 3211.473359 3601.023959 3376.969452 3970.995068 46395.41133 35786.55223 48684.35364 31039.75312 50889.59103 27933.66836 21315.38145 15297.5341 41093.29983 4107.484998 2923.955397 3137.217778 4371.752624 2384.094464 5023.545575 2367.922555 3017.486768 1994.52102 2617.004992 2758.989427 3304.767765 5094.898356 9217.883093 40893.93946 2237.94424 46167.61729 3318.150593 D-altro-D-manno-Heptose 272.447878 596.808144 693.7661516 1046.792101 751.0855943 912.4441361 1107.444124 282.115183 4.07813e-08 1775.366736 2051.387957 5031.295198 1725.093449 1969.053694 1346.784491 1895.168738 4.07813e-08 2788.08005 413.9704422 712.2496276 804.2956931 757.1834728 1843.24 1285.842747 1593.180762 301.0305401 1101.76835 3442.955962 2809.201827 5340.497451 511.279865 1210.306596 2646.338296 1202.903944 700.7030635 1780.099574 137.8798945 1461.221302 771.752018 1611.040148 1203.248047 1117.03392 1108.585551 877.2651092 635.0611767 767.0432968 401.3045979 1801.448479 347.3502686 214.7431766 1852.136233 946.8967392 2063.302097 593.4071639 D-Galactose 6-sulfate 41184.94494 105220.6128 53232.61135 137729.5577 48252.82181 55249.00565 132931.6532 108823.19 96229.95701 86649.99615 52739.40342 44041.94083 85715.23911 70641.19958 46596.19667 38288.50899 73111.96869 51747.0278 21212.20015 27471.97387 36039.24823 21500.35569 32271.84451 15973.28453 37312.97132 9575.375785 18695.18366 95890.5256 55578.66655 43669.45807 49368.85177 64293.4892 62677.15909 55616.90092 57635.91419 56427.0357 43042.09527 25979.72689 63438.48825 43109.49989 29172.96757 35485.85975 14785.16894 12169.50678 15926.55321 34723.38317 37959.03705 49355.42921 122017.114 162731.2336 55622.66069 170633.5687 37817.74235 71603.85093 19-Hydroxy-8-O-methyltetrangulol 1475119.629 1332304.447 2933414.758 2116832.336 1217757.139 2139981.884 2120523.132 2313124.651 1337292.487 261293.9666 219879.1568 138952.0809 152010.4706 189406.5889 320977.5627 140850.7755 53101.01346 74612.96471 599886.1484 395000.4276 369646.6627 580207.6681 181236.5272 374797.2467 476029.6149 241591.1728 422268.4971 77175.90856 172699.5021 162886.6412 323805.5638 77539.8216 94574.50175 246320.5611 234909.5887 207341.4637 876901.3606 899179.9852 904659.698 432517.1556 355526.8743 244798.7346 279699.2761 393243.6778 133570.3225 773091.6544 520036.9857 901838.3377 623695.1175 897899.8267 98979.69844 646556.6483 280063.4847 1176613.801 4-O-Methylgalactinol 22278.94006 20226.45024 25089.65606 24689.19221 94033.57843 154598.0727 93203.74747 63998.78182 11160.78239 138644.9979 120472.8118 75456.0249 153387.6435 96873.72378 51871.87785 25119.45373 25520.08419 40140.22125 28429.58831 13691.85965 11391.7268 13154.22013 20363.91135 10836.81328 22773.12589 9737.037067 20461.32816 137674.1351 102322.9765 82382.18559 81702.79152 128924.3202 176453.1727 120617.3557 26842.00651 56635.58846 24613.26812 18122.769 20595.22423 21371.73913 14438.99648 13452.19021 15226.88624 9503.970895 16485.83267 15385.59147 11280.12174 15275.85767 19444.44673 13408.67024 99234.02827 18169.54364 81948.53404 43826.74268 S-ethyl N-[4-(trifluoromethyl)phenyl] Isothiourea 3624.697053 12897.71297 12332.19733 1692.179223 443.3402327 1108.398119 2152.992753 22611.76412 1229.245176 28574.78395 24057.10556 21397.97472 39068.51102 29689.97699 6029.248667 13085.26825 1720.035747 31789.70743 4.07813e-08 4.07813e-08 1180.731545 220.4657611 3846.615184 4.07813e-08 569.1901243 2234.976574 119.0855034 22208.99019 22078.24162 27735.2229 10929.8032 39604.43992 25178.84507 9749.149611 14608.10585 11329.36229 5800.209317 4842.152207 4.07813e-08 1506.443445 2452.799706 192.5544355 4.07813e-08 2116.881223 4.07813e-08 254.1548534 161.2849792 335.330803 828.4289027 7228.529355 45370.81636 1531.625322 11397.06857 644.4391344 1,1'-Bis(2-hydroxy-3-methylcarbazole) 5074.123496 10629.55706 6213.559724 3888.569061 6939.821624 10051.14036 7637.533416 3997.145946 5766.946595 83023.59634 75539.13965 66746.29738 85785.44849 49567.61399 80705.61037 49262.86066 32276.71267 90598.89704 9600.756088 3350.591015 7923.367364 5967.18933 15825.87838 9954.603703 11379.15097 14469.48526 15064.32047 125168.8868 94991.07412 67276.59263 83253.17535 61034.69392 57717.62643 71265.96064 35018.47684 67574.64658 6614.371012 8571.808404 6273.578111 12409.64613 6640.721773 10301.94685 10152.37643 11734.7685 12013.43444 5610.252163 4827.257595 5044.769259 7723.940649 17757.1641 96202.56747 8024.798693 74467.48512 8710.987683 Anthopleurine 1049.071557 658.7014664 1096.767569 502.615573 162.5656596 1531.742971 1305.594104 1058.286705 763.2784602 4.07813e-08 4.07813e-08 4.07813e-08 463.9783741 4.07813e-08 4.07813e-08 493.6142222 4.07813e-08 659.2796459 3246.194875 1702.647759 1760.67944 1039.934385 2759.273613 2208.313674 2126.874474 1832.803963 2143.338688 231.5418733 4.07813e-08 275.7573425 4.07813e-08 302.3916942 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1046.769055 1519.851305 1219.064989 2198.492493 1352.852996 1069.330174 2189.245531 3034.78405 1926.220209 1595.990585 1306.745819 940.0539523 966.8247563 473.4215495 4.07813e-08 960.2445733 4.07813e-08 1129.138339 D-Mycinose 1354.430349 170.0496446 2215.778683 2425.521202 2405.830087 1744.228215 1482.399018 1099.918087 808.2807466 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2154.680523 1879.645722 1773.013901 1946.021616 3739.668352 2562.593243 2431.10233 2369.690075 2473.99718 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1475.300348 2072.679841 1710.790396 2694.172876 1932.34773 2293.837622 2384.763789 2182.221403 2648.012719 2204.28969 1378.440157 1073.097939 676.2597888 674.7752906 4.07813e-08 1040.550923 4.07813e-08 1295.405286 Lactosamine 11475.71001 14627.95074 5019.372897 9238.535135 18490.29489 8529.60124 12072.57081 14357.77796 10617.84235 17897.23718 14213.20246 8288.230935 15777.93029 11191.95275 10882.92605 7869.581026 5774.724601 13659.8859 26748.34317 18117.13895 17604.42518 16200.65049 15103.57315 13606.88649 26242.6165 10981.78044 17879.91065 10105.16502 11516.85521 9650.976389 11480.31318 12578.49575 11588.1506 14681.33334 7169.187766 12100.93427 37807.48037 16905.87914 14751.62888 16431.53483 20876.30993 19187.37489 10341.79202 17302.87955 17242.09958 41288.61525 16653.65375 13635.86131 26741.29123 10692.85456 11649.82575 25383.28659 13565.2322 33354.4779 Phenol-formaldehyde, cross-linked, triethylenetetramine activated 4629.917433 5199.410063 688.960954 2497.71883 796.8745495 1665.157273 3995.784432 8445.661929 9043.430828 237.1222434 451.732675 1225.310595 310.2035878 405.0507743 411.0470927 558.7035735 999.5473409 1460.569077 72.90097526 4.07813e-08 997.6030663 4.07813e-08 4.07813e-08 305.5281457 229.4853879 159.9669578 102.1188253 554.9482627 759.8882321 4.07813e-08 517.7753268 273.3643509 186.2197834 206.5126018 1521.946756 1381.395211 395.1081475 796.4710267 1478.357793 363.6085778 97.37685045 4.07813e-08 306.7016251 4.07813e-08 4.07813e-08 4.07813e-08 2211.695504 1420.911053 2927.684541 5316.00923 285.3420362 2028.445031 385.0381901 798.0640568 N,N-Dihydroxy-L-tyrosine 2522.236224 5197.879621 3778.753268 8257.217339 6960.319312 4146.215039 4400.459208 4619.717478 2985.248571 9299.24817 7612.560386 10902.55629 9254.383943 7868.772846 6353.478267 4883.624251 3778.903099 8027.600264 5433.234959 6865.439543 7209.173985 4566.433162 6904.29133 4812.305293 6253.386104 4376.532537 5977.988979 10298.64151 8688.535647 9097.123698 9821.36707 9648.807527 9538.462834 10895.42648 5311.761188 10132.28506 4505.713949 3807.79883 2920.2579 6194.508283 4926.801091 7638.065178 4643.970555 5194.995164 5602.786511 5162.545084 5090.440489 4172.245176 5624.46181 7563.126126 9579.008588 6252.369881 10347.28948 5985.727981 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate 88.74093154 92.11056693 1192.735126 2730.698553 4.07813e-08 1491.097461 523.2125526 322.9547149 1124.074945 4.07813e-08 32.02785423 4.07813e-08 67.66606934 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37.45058311 615.4693611 330.8143065 368.2498404 216.6301553 7013.927977 3882.402746 2308.269647 4.07813e-08 4.07813e-08 4.07813e-08 75.78916639 71.29132086 4.07813e-08 4.07813e-08 4.07813e-08 50.3930586 63.13402126 4.07813e-08 90.02187279 1589.236077 1415.074545 19297.52183 486.1310845 1943.620884 11506.79572 25.80910552 270.5212362 260.9112777 4.366021295 120.9403594 48.29074486 628.2545474 12.82879827 994.2565925 31.60654547 4.07813e-08 L-2-Amino-6-oxoheptanedioate 118.1969199 4.07813e-08 113.8362497 279.4220553 4.07813e-08 4.07813e-08 186.4721631 168.7371938 4.07813e-08 2202.53201 3558.03967 6752.18449 2461.426845 5401.772397 6833.935297 3551.932531 254.3011892 2013.121157 70.44731779 47.88568063 4.07813e-08 150.544491 374.3020292 105.4260382 68.5725603 4.07813e-08 80.76742236 5470.615155 4521.57405 3176.209399 4528.451194 6878.998063 5658.409799 6683.458161 2831.448859 3048.880409 252.4901603 169.177999 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 107.2759537 205.661461 4.07813e-08 4.07813e-08 287.5780158 607.8695599 623.5210936 5792.071823 528.4021789 4437.181628 501.1027742 D-2-Hydroxyglutaric acid 10203.00591 14296.74037 15305.10997 12161.52935 10755.82705 14840.13933 10483.64789 17912.33126 17651.10571 9304.04868 8579.034051 7706.035334 10372.85035 6546.473185 5701.418843 6812.941484 4845.229165 7148.694862 27336.11758 21035.79777 8807.046335 8063.407248 12889.91586 32483.80661 13280.10516 16099.45463 17235.0813 5278.329081 7317.268245 10352.60617 8258.467308 10496.72559 8182.939228 10289.75008 8511.840195 7481.619453 11050.98687 13424.17408 12891.40484 24130.66585 11828.62584 17736.24232 43183.3927 21542.07222 11046.63696 32304.87821 19409.60956 42592.78147 28267.40407 33461.83161 8966.374785 57661.24085 7668.916326 23876.31823 Arginyl-Isoleucine 3557.907551 3943.58045 4766.988075 5033.018702 2520.526612 5220.404655 5327.045911 4092.629264 2811.165698 471.1775643 649.4515954 729.1032414 467.953261 4.07813e-08 894.427339 652.8928226 173.8382606 656.4400525 1465.315306 1656.010941 3827.68851 1198.254309 1874.395066 2253.715654 1746.231025 1901.866796 2687.233443 351.8880877 623.4208058 263.4214638 1026.722142 196.3878775 275.7808552 672.0308182 664.4353214 446.304207 3559.267319 3452.159081 3350.38734 5784.511505 1545.155231 1068.026592 1943.473188 1526.169758 1514.587007 1668.581919 1083.404284 972.5928575 1731.003155 3654.646952 216.9068847 394.7461315 1187.274351 829.8736629 d[-Arg-2]KYOTORPHAN 200.3103275 907.1594034 4.07813e-08 239.0505334 4.07813e-08 257.5733308 4.07813e-08 239.8742835 4.07813e-08 6166.894488 5262.607617 4392.748786 7329.574283 4976.558128 4813.622668 2939.409946 5931.618648 7670.573218 4.83855186 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95.6079661 4.942343774 4.07813e-08 7035.283191 5529.391364 5297.317882 4027.363839 5516.673704 3507.693603 3924.743455 4260.789186 5548.417269 141.6344514 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 92.39401143 4.07813e-08 4.07813e-08 4.07813e-08 188.6931584 992.3833445 5450.690754 163.9086063 5090.493539 4.07813e-08 S-Methyl 3-methylthiobutyrate 383.2043899 302.4010693 277.4229162 324.1602013 187.36413 349.4947886 309.1040045 613.1586223 626.8963854 829.090908 907.9609684 1372.119285 673.1440747 360.9528017 1375.471803 3043.500333 1839.944858 267.5295938 215.6941382 99.69857085 130.497463 124.8577939 95.58740008 199.3702837 205.8023524 194.5527904 127.7354807 5286.1565 1386.150375 1834.527101 3201.484267 2285.352226 2443.667778 1295.702042 3734.528166 1477.295882 483.5956168 88.99929824 189.5793372 177.4451872 77.56267267 158.5372883 382.5382047 327.43478 75.24460523 389.8423304 235.0531153 451.7871859 280.2924715 604.2901994 1396.715313 424.616623 2151.655354 386.6725421 cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol 1164.739499 1851.964372 217.6835564 448.1956777 229.6282773 372.3131614 1559.197439 2313.472028 3618.128721 1575.094229 1653.281767 3602.947805 2139.985351 2314.500085 2380.180096 1793.851945 2087.166464 3202.232962 28.6628368 35.68098682 308.7935542 29.50347484 355.5644519 74.76684658 886.3432731 363.9257696 4.07813e-08 4215.106041 2285.806169 2592.721191 5180.409207 2839.495438 2775.699742 1856.083552 2396.092918 2056.947351 1129.478086 516.7126794 163.7462185 630.5889119 4.07813e-08 4.07813e-08 277.8385078 544.5963713 212.4810953 744.1337951 1385.617804 967.5202963 866.9709928 720.4298539 1442.304796 1175.276315 4659.713954 1129.33159 Clavulanate-9-aldehyde 1692.177574 3031.75507 1371.521665 1694.068397 1760.694388 1005.417562 1730.928907 1572.29014 2051.199119 1739.619708 1485.97556 1702.441286 1943.356395 991.6560055 1833.383989 650.2065152 569.1899719 1324.51247 2224.134687 2405.244005 2297.828263 1566.701548 2849.367016 1402.197187 2212.376918 1601.528482 2607.166978 2288.535412 1513.754977 948.839707 1108.991213 1779.645719 1753.334003 2736.9185 860.7511019 1267.271929 2428.66478 1322.399912 1316.799744 1829.710919 1365.991531 3671.509218 1610.430804 2687.145306 1726.262724 2956.363903 4533.910614 2215.281448 2923.27736 3954.615486 2333.554413 3243.242134 2182.579387 2266.772616 gamma-Glutamyllysine 4589.330561 7721.048905 3008.182902 5071.11665 2964.186255 4388.164906 6719.37567 8306.309417 12877.9687 355.1079679 375.3557496 394.1753245 135.717559 4.07813e-08 793.8266923 166.7271039 447.1769253 74.25751623 310.2893538 375.5721298 1168.088803 186.1921171 108.0594825 619.70716 380.3159837 800.8877535 863.4153014 568.7885685 50.7793469 4.07813e-08 261.7409015 4.07813e-08 55.78084722 210.5643447 1319.622941 152.9830549 644.579363 1511.449581 1975.181247 1031.867228 540.0189417 175.6730255 807.9122528 657.0656155 268.340051 317.7466365 2424.606558 1386.801639 3325.231404 5841.067109 45.39418372 1739.7805 302.2826894 1414.651079 O-methylmalonyl-L-carnitine 1206.725198 4605.303228 872.5727894 3087.227072 2434.370097 592.8525601 4032.688171 4488.199442 2405.662992 3216.794714 3631.830356 4202.576038 3894.87165 1607.047657 4491.247223 8383.770437 1636.259099 1385.874939 250.2329415 467.4834077 472.8110476 4.07813e-08 206.4225616 4.07813e-08 746.5448 414.5751412 483.7658959 22250.64598 5481.633488 6429.856366 6503.280166 20514.86789 7755.567305 6722.403727 12101.22216 7822.30098 3164.651617 1337.555928 1024.492273 849.7254998 951.956497 327.0563916 646.0709033 177.1585739 321.3765168 1066.48453 1414.640194 4112.299661 6660.111705 10242.28226 6353.799219 6775.515817 12897.40521 7585.325837 Istamycin B 4.07813e-08 496.9573506 116.1390577 648.3045065 4.07813e-08 234.426845 562.1943414 1033.77506 2409.703499 3791.032168 3939.291341 4771.03559 3296.983856 4091.484829 5608.316894 6979.683989 2484.456632 7144.49691 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1680.639587 4524.308024 3988.438069 3592.108522 4275.619542 2400.052123 6754.230161 1369.771143 6552.950769 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 247.2190431 610.7611419 3946.426683 94.3641676 104.3388663 127.1721663 (2R)-1-O-beta-D-Galactopyranosylglycerol 504.7911661 406.6864959 1026.727718 1268.580213 1738.14258 696.9785496 993.4063188 602.7562721 179.556138 839.941347 480.5825304 899.5467851 819.551638 635.2064246 799.4023419 253.0910299 392.8390774 743.1850845 1284.417325 1746.158676 1113.742266 1202.220427 1307.019749 1052.070898 1452.194393 1596.129581 1255.620936 1233.430072 1203.512069 631.3871503 831.8977528 1466.591102 899.4922892 1320.656403 439.438438 788.81725 1601.58134 1188.519236 987.1031401 1404.71081 1380.491318 1059.953085 879.5161574 1542.484799 1427.858808 571.0836788 575.4697744 724.1928921 1036.699996 908.6462102 1694.273769 997.2149253 838.8395821 667.2875143 Quinol 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 4217.358461 5462.799352 5496.407128 4100.909042 6208.031163 3599.299682 2499.054836 3179.37948 1520.038124 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35.70656545 26.39607046 4.07813e-08 1898.792057 1844.7466 2151.596602 946.4202679 1827.814325 1105.26187 3108.347674 1926.873202 2642.692172 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18.60114874 4.07813e-08 4.07813e-08 4.07813e-08 56.59968562 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1984.557498 4.07813e-08 4316.867032 4.07813e-08 Iprobenfos 495.9832041 213.8742324 436.9584755 245.6496287 464.4808972 409.6398182 590.7053758 418.5874498 435.7496412 232.4340342 189.5961616 224.1580501 387.9135955 97.62027371 87.8415027 38.58457857 109.3147948 260.0490517 2838.429603 3614.987144 2255.367159 2676.087704 3141.757297 4026.295812 2922.371328 3132.926462 3812.30265 175.7461053 180.6676728 127.872861 83.76715112 414.6712445 241.7646579 419.206738 49.36229336 200.2453373 1374.724082 2252.385452 1604.960564 3221.473649 2803.533413 2840.958292 3470.497974 2721.252954 3641.715342 1966.759002 1459.209802 1935.33897 1671.365064 1776.876416 825.9757576 1895.857566 479.4377216 2227.752383 Mono-N-depropylprobenecid 1571.991928 1885.862685 165.7928759 995.1981235 469.1888016 291.8250552 693.4843958 605.1905543 864.1356541 3189.7845 4.07813e-08 9494.156074 2916.684414 5493.729927 2802.608718 1009.555518 346.1162644 2394.096702 47.11226558 106.1938927 4.07813e-08 4.07813e-08 1.596005745 4.07813e-08 61.12212275 4.07813e-08 4.07813e-08 4.07813e-08 5615.79879 1950.180125 2078.532039 808.6578974 466.6192532 7477.618905 386.0275251 5425.380969 2628.849931 4.07813e-08 4.07813e-08 1.284634929 1.09272514 60.44346655 4.07813e-08 4.07813e-08 125.4902212 4.07813e-08 64.6987419 491.6072515 560.937281 1278.848197 9802.161623 413.9721801 944.4976581 138.3352563 1-(3-Aminopropyl)-4-aminobutanal 660.9999313 1654.88951 880.0161321 406.9683212 426.5089479 257.9576371 560.1108353 4082.493153 1657.5599 4.07813e-08 4.07813e-08 905.7384198 4.07813e-08 4.07813e-08 51.54476276 4.07813e-08 4.07813e-08 4.07813e-08 1499.180838 924.5743881 738.2122242 449.4672242 312.5486143 1073.391304 515.1675841 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 661.7855244 530.5834349 334.4453865 1272.22947 1015.963885 775.8661452 1922.426683 60.71303159 4.07813e-08 2747.280672 1270.839089 5309.857744 2678.223644 5461.705505 4.07813e-08 3581.645065 203.0894422 1087.379939 Agaritine 2662.456479 3732.283881 3058.920502 2592.287363 2318.365302 2552.488363 2664.189483 2532.588708 3591.897279 3350.234184 18577.39286 1836.309462 3668.178578 1584.16852 2831.3157 17399.38847 5186.883885 2026.318468 2028.899373 2807.88742 5705.421319 2084.776944 3928.24646 1350.106487 3096.833231 6420.423442 5285.53635 1969.654927 2380.324324 2823.290246 992.4421073 2558.405152 1671.928263 2706.718109 1149.250371 1055.589999 2893.485397 4574.590637 5104.878612 3337.888198 2047.785998 3957.513752 1688.962614 5668.360678 2166.146714 827.8582378 2371.393148 1255.629883 1734.618713 3457.96632 2512.914963 1353.369094 2095.875044 1201.360916 (E,E)-2,4-Hexadienal 14224.73034 14451.60378 15303.40316 14767.31333 18394.55341 13635.17801 15593.93445 15474.60604 14760.74377 9630.932483 10943.91739 12597.11575 13649.3627 12911.22 11237.8938 14735.17211 10684.82208 12343.01628 9851.399476 10922.06942 10829.33214 10565.18371 10628.90122 9032.043927 10732.39873 12165.80567 10098.02564 10806.60688 13166.47466 12497.76866 15451.91474 11704.41164 11913.51035 10996.18617 11642.63795 13851.40188 13321.0337 10303.97707 12248.87186 10847.85585 10147.23654 10131.00266 9279.151683 11219.55592 11779.59934 11511.1233 13132.10762 11323.20862 12514.56287 12800.69057 9138.902548 10003.04145 11936.316 15734.95745 5Z-Octenyl acetate 1908.446632 450.224999 2149.366158 2829.563813 1481.28889 2014.577297 359.1987269 680.4612233 1198.332963 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1646.415407 2008.047463 2161.882586 3356.411472 3606.07772 1937.690421 641.5043911 1376.82723 1113.006631 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1020.590756 2230.911721 1364.920974 2097.252637 4411.753139 1988.944377 2008.384731 1423.821971 1077.715084 768.3787509 971.2403717 1384.87486 620.4807106 4.07813e-08 4.07813e-08 990.1645343 4.07813e-08 626.2320258 Dodecan-2-one 34191.03222 29427.98465 28510.65572 27911.33061 30436.99652 32756.65411 31218.48363 31427.50108 29520.36035 23930.83887 20876.20085 23834.63745 22221.9526 28913.54518 22891.06117 31650.05311 20566.51811 27553.20015 20648.56716 22686.78422 19961.85353 25509.26928 23097.90531 23417.87638 23530.17821 25062.36075 24772.98036 20842.75758 25468.00362 27475.33468 33741.14791 21883.09052 24132.96131 22009.30688 25697.09588 27507.20394 23529.53297 27777.48775 26721.31557 23772.13284 25105.78497 22876.93883 24310.01564 27658.37441 26943.44396 28943.25143 28406.36866 25466.10672 26470.21264 26652.59134 19906.69475 23512.05267 23653.20939 27588.81631 Santene hydrate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2058.628119 886.7252953 4.07813e-08 4.07813e-08 265.915154 4.07813e-08 4.07813e-08 3665.911834 696.4023998 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 248.844102 4.07813e-08 383.2934611 3662.987968 652.8593565 211.4078038 801.2850992 720.9791962 4.07813e-08 4.07813e-08 4.07813e-08 426.4774507 4.07813e-08 298.8132016 UDP-L-Ara4O 240565.8217 241415.5784 251602.5313 236395.8195 250563.0818 236557.2759 237355.501 228196.6399 240214.4695 180224.972 168763.3636 189313.4815 178576.1631 213546.6219 178658.2321 223521.3838 184315.7386 219593.2807 181608.0989 177439.4202 178355.0567 197313.1465 201069.6239 203318.2357 194419.4623 208677.69 194123.2382 165653.1411 191801.0242 178428.2169 230927.5286 171511.628 171748.0218 180372.7198 205704.4378 223166.2814 209809.5182 178146.3282 192190.7566 180573.515 193480.7599 195969.884 208868.9921 212562.9912 214391.5773 235701.1912 219823.7706 212425.35 198421.9857 187410.6709 157716.0626 212824.7839 198184.8694 244535.9658 7b-Hydroxy-3-oxo-5b-cholanoic acid 4.07813e-08 4.07813e-08 13033.26427 4.07813e-08 3121.57034 19920.25608 4.07813e-08 7859.653124 6280.729461 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34970.36655 12380.72333 43974.84503 18292.04816 25382.33406 21779.89861 12550.66327 4.07813e-08 1399.936531 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1305.205004 1867.942195 15563.44667 17325.81439 11719.01144 20735.09148 17800.6247 1065.506954 740.2346892 120677.6231 60060.6311 32554.62179 4790.068693 4.07813e-08 4.07813e-08 19100.01704 4.07813e-08 4948.037571 Flubendiamide 28075.86998 18545.41535 26857.3762 19170.35236 22980.80605 32184.14855 20872.3478 34189.33955 26181.50255 20612.70638 20303.21483 16191.15965 19726.36966 22648.48421 22497.41804 27446.99517 22634.11089 27763.66451 14390.6457 17362.27304 20404.16376 16908.1885 15283.73057 18780.85158 14542.53538 19736.524 20201.54332 17728.18968 20930.96474 21214.3431 26994.60431 15670.60774 19185.98192 18373.46012 29434.33864 17880.52424 17508.82598 20171.43524 22997.60485 22770.1448 16568.78868 18380.06249 20119.21996 22985.82295 28438.43225 24464.61359 23734.08408 20918.4189 23566.28365 24168.5176 19373.05264 21230.78224 23212.83065 21602.50361 3-Hydroxy-4-methoxymandelate 3934.779625 5004.673967 7793.393761 10527.15106 5545.580089 10016.23202 10092.57427 14195.42243 11461.8234 818.6143508 515.7565039 545.0586001 799.4256651 727.2745565 1058.008134 1539.222051 1049.383936 1060.885035 5542.570943 8389.025214 11482.46314 5158.910543 7232.065651 10802.70416 7145.994622 2355.28528 9505.525671 1818.746693 651.2765394 678.8763446 2102.170609 556.6752044 953.5945011 1033.366108 1268.703846 1181.459357 5724.283333 7859.247972 12647.90175 16392.53142 18677.3982 5356.881762 15815.34777 5172.449402 4804.910292 27144.5136 3882.216212 14672.9543 9766.77162 10201.14033 421.1541745 17637.53933 1025.179536 15195.88879 2-(Ethylsulfinylmethyl)phenyl methylcarbamate 286.3998606 4.07813e-08 587.4726383 669.078646 325.5167463 1540.838688 883.609577 876.303182 159.8954469 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3508.771033 1169.759171 2120.619296 1704.996174 3648.868933 3124.845458 1869.092303 4055.751738 4787.71351 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2956.537011 691.4753658 1548.475117 1159.575371 2460.642488 2992.751132 2738.548362 2960.572198 6159.697659 303.3222743 356.018316 2176.67179 1774.688864 414.6039939 4.07813e-08 1592.358273 4.07813e-08 4354.180711 Sinapyl aldehyde 425.4638925 4.07813e-08 1610.726871 3474.488874 2048.273866 2927.533937 1458.884628 337.8062167 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1495.910864 1309.795873 3402.347037 3686.223485 4570.376472 2406.544789 3238.827715 2769.136869 2831.966745 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2889.703814 2224.168162 2660.389768 3918.749634 3771.011776 3518.193768 2394.006964 1530.450574 2848.998467 1046.125137 47.21799206 1608.590357 1452.489393 1593.560794 4.07813e-08 975.0920123 4.07813e-08 1948.031584 2-[(7-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid 2092.692306 1195.173695 1279.306769 1239.959938 2181.138853 1895.053199 1948.353275 2089.194195 3439.392217 565.8022635 996.433709 583.9268493 552.5976257 4.07813e-08 4.07813e-08 113.7552436 4.07813e-08 301.3914005 2026.971676 2930.691124 1795.087022 2075.568314 2255.683463 2339.834482 2412.008951 3499.88695 3375.630228 4.07813e-08 241.0307209 345.3258577 4.07813e-08 515.0332846 4.07813e-08 299.3626442 4.07813e-08 56.49985327 1028.29486 3180.536553 910.99187 1952.155872 2439.088783 1787.441103 2106.998214 3419.187858 6521.885794 2595.99135 2236.44734 1499.880508 1292.649948 1760.683189 224.9769503 1322.319176 293.9677244 2133.843413 URB754 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16433.4005 11495.15747 4545.840664 19405.54673 2445.723601 7750.771112 2547.591719 4734.802163 12967.02713 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11705.43435 11399.28229 5802.443775 4741.035779 11110.8798 3597.966047 9014.844136 668.4022604 3996.625442 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8808.453995 4.07813e-08 9964.86572 4.07813e-08 Methionyl-Methionine 59.29602628 131.5740269 276.3427765 211.2873412 457.8381797 165.0516583 260.6218189 386.5906416 675.0962315 7111.69957 8515.58801 13416.67665 6022.374431 16664.04615 9803.906106 10740.2708 16648.11937 22278.48654 761.1833865 506.9360859 185.5673305 4.07813e-08 287.5947714 415.0462471 181.501319 284.125071 1182.636844 19740.39374 12155.94422 19056.81328 7786.301769 17312.77436 5707.153033 3291.993441 12390.75012 20387.89785 4.07813e-08 57.78313758 115.2619675 4.07813e-08 381.9782937 361.6639791 795.7728735 429.7681262 937.0758155 1698.820761 681.8682067 403.4965233 879.7942627 776.831643 21318.26385 587.4056946 8440.617124 2270.679639 Edulitine 515.0495061 365.5123242 467.2919668 144.1241976 247.0738702 191.0956133 481.1916236 82.93038903 4.07813e-08 369.1251116 81.63557429 320.2962082 414.4542971 4.07813e-08 218.026471 4.07813e-08 1639.844279 4.07813e-08 2120.725108 2122.80136 2050.456574 1843.298225 2450.827869 1842.621442 2112.916448 2145.634609 2298.524433 690.4633132 379.3522069 682.3688074 461.3948576 703.0921035 563.2060358 1272.626568 679.9895772 4.07813e-08 1271.975474 1805.274469 1467.510295 1798.417307 1608.83346 2420.631212 1771.070574 2409.871048 3074.207418 1564.553297 897.6804853 1264.496658 1176.490191 1271.057223 1105.662667 1257.549233 1850.858143 1939.512113 Asulam 201.4099097 464.865147 4.07813e-08 82.32869123 4.07813e-08 4.07813e-08 185.078894 4.07813e-08 4.07813e-08 1577.620818 1157.685434 1098.79878 1740.322813 932.0422161 1179.305648 387.5411323 713.6762365 1408.507207 4.07813e-08 8.43428485 4.07813e-08 4.07813e-08 12.50677779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 693.7325062 1161.91257 992.0478498 652.770339 1391.892122 956.7338474 1024.163398 430.7830111 1033.486645 927.0287273 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12.9681106 4.07813e-08 16.39297853 4.07813e-08 50.45450478 79.72055129 1190.152663 4.07813e-08 918.9557268 4.07813e-08 vesnarinone 4.07813e-08 4.07813e-08 4.07813e-08 370.7511869 4.07813e-08 4.07813e-08 246.3633679 506.9375586 4.07813e-08 4.07813e-08 3429.057223 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25221.48944 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 39.35115061 4.07813e-08 4.07813e-08 2500.191483 8078.484718 8302.247433 9317.159883 9843.020848 7446.55402 4314.899339 4.07813e-08 28794.18793 56.39230873 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 513.7737116 13184.61363 4.07813e-08 2140.78561 4.07813e-08 Sparfloxacin 4.07813e-08 2147.000432 4.07813e-08 256.0977613 4.07813e-08 96.32574653 316.7500802 930.7074799 1052.107029 10066.90537 8545.134274 8786.28567 10198.99078 7392.622901 10767.09392 5038.150679 4496.438118 10051.05515 4.07813e-08 138.7880105 70.69834143 151.9429311 70.3150908 59.78651202 72.21611363 23.50590192 4.07813e-08 4830.330162 8068.190054 6204.26748 5935.471583 7646.798089 6804.032239 7159.146229 3432.30423 5438.092397 68.21602583 4.07813e-08 94.1287733 112.5670095 65.54092129 157.4795259 167.5890735 163.6017535 4.07813e-08 4.07813e-08 4.07813e-08 86.22734728 427.473466 1967.539234 8929.43576 4.07813e-08 5717.453279 4.07813e-08 3-(3,4-Dihydroxyphenyl)lactic acid 4.07813e-08 309.7871611 4.07813e-08 36.53071275 4.07813e-08 4.07813e-08 94.45658564 42.44814153 4.07813e-08 1465.364037 1022.596995 1817.0583 1324.781486 1670.320849 1202.541086 1007.330933 516.1650548 1240.142058 26.56291094 58.79153851 186.5991456 4.07813e-08 70.72077501 35.06876913 4.07813e-08 103.8472378 4.07813e-08 1225.663235 1303.735025 1768.125439 943.1916105 1280.540026 1565.032431 1629.487391 1009.1379 1803.44103 286.1686314 4.07813e-08 108.9586924 4.07813e-08 89.08480699 50.7988152 73.26699599 54.82319761 171.6998766 4.07813e-08 4.07813e-08 4.07813e-08 66.46068877 134.0995328 1316.270213 4.07813e-08 1263.969344 4.07813e-08 lipoamide 4.07813e-08 29.65758738 4.07813e-08 17.8998639 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1133.395698 653.6011423 4964.671691 1529.781623 89.41355449 1098.761531 1345.654288 9053.208117 4.07813e-08 35.96923641 4.07813e-08 66.86125671 4.07813e-08 125.236667 32.38187841 4.07813e-08 4.07813e-08 71.18730266 1526.940934 849.2400433 9458.694492 108.1743929 72.22804239 983.5862435 2807.064706 2033.771973 4.07813e-08 4.07813e-08 4.07813e-08 112.8313339 4.07813e-08 4.07813e-08 4.07813e-08 65.07651158 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 109.0973238 1870.533986 4.07813e-08 907.6245989 76.48806298 Nonanedioic acid 6266.885307 6509.846146 6568.25202 7001.77997 7403.033109 8260.040985 7414.555933 7696.634875 7654.543704 4578.244402 4134.488614 4199.77986 4868.69984 6069.569508 5021.3981 4982.248096 3515.849597 4811.044716 6669.093813 7223.254505 7456.461207 8546.045311 8979.884968 7588.056138 8008.669966 8023.122958 8277.749951 3915.069854 5011.392769 6393.48868 6210.034588 5019.999258 5151.275511 4308.171946 4018.059658 4744.36775 6542.352897 8406.054496 7898.873858 7540.086929 6110.609675 8087.816741 6318.771451 8096.729761 7294.79756 9693.347583 8310.871035 7430.591831 7455.827093 7615.251253 4173.967056 7071.331005 4155.943249 7094.001416 (R)-2-Methylimino-1-phenylpropan-1-ol 700.3535062 792.6192308 1539.479594 2750.275233 2524.585057 1634.070098 1286.925895 517.1370771 449.5650543 209.1926135 321.3006143 1086.074039 163.3264824 1018.441692 355.0923696 691.7409231 95.63100397 159.946067 1280.175866 1251.834103 1269.735437 1757.541744 1711.160496 1571.553935 1407.831503 1528.136162 1777.36071 344.6314353 474.0776027 945.0896576 443.7456974 396.011313 939.7472661 536.9938063 581.4627367 797.1338001 1156.283225 1259.029294 1203.275586 1378.864611 1348.06478 1492.177379 1493.910236 1317.088905 2179.750078 1126.944238 1075.709999 1040.110194 948.032904 793.8359988 379.9955174 953.2982996 241.456016 1453.353287 Nonanoic acid, 8-hydroxy-, (R)-; (-)-(R)-8-Hydroxynonanoic acid 1875.873663 2039.514278 2007.731534 2205.346786 2017.351767 1121.292201 1506.448254 1947.118118 1588.299852 249.2706208 95.45043618 348.9341936 508.25236 118.6437072 226.3220357 163.248854 28.88595952 470.7055122 2903.921571 2180.501145 2605.397288 2690.712476 2282.348813 2314.871193 2025.591061 4316.747083 2714.147283 403.1830537 292.4202355 264.5483357 274.3253593 406.7857127 524.8606226 470.1330875 440.5151826 364.7535991 2090.403088 1967.432343 2041.914293 2870.727013 2722.391456 2454.700531 1951.696237 4312.978064 3060.521133 1193.367787 1081.208233 1858.127065 1882.008584 2465.908952 510.257536 1907.983973 236.3228568 1649.939955 Spermic acid 2 1642.27244 612.2144526 776.8579315 447.0848892 437.2021864 381.9187121 528.6686187 266.82634 354.4011577 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 549.5303621 758.845952 368.7358546 222.1286665 180.341022 469.3857252 285.8861457 201.4690099 559.8530562 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53.52702604 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 580.5871073 668.2551122 511.4924013 342.5598246 892.5230582 395.9136846 510.9688838 284.755012 306.9648874 652.0451493 396.3733913 224.5709112 279.3464386 363.4352009 4.07813e-08 389.118626 4.07813e-08 337.8875106 (S)-Argpyrimidine 1619.196801 885.4537113 1551.94784 926.7191733 892.2904695 1841.602903 1795.322048 1332.831665 1611.697894 355.1216442 249.2917921 171.4681254 150.22084 158.054269 386.1352049 4.07813e-08 67.54377853 162.8519202 3711.983703 3540.219866 2640.149037 2535.64009 4109.464899 4227.057498 3267.928295 3933.993344 4144.502093 130.1001428 255.3922365 4.07813e-08 211.1076634 367.1943205 373.635214 451.3261254 85.50497779 3.778913501 1770.92231 3424.62713 2134.551795 3224.656849 3288.525156 3622.534323 3879.178239 3350.144442 5926.538193 2480.770347 2029.633429 2365.907292 1837.315319 1610.704722 540.6832482 2128.238345 318.7118673 2499.936618 2(N)-Methyl-norsalsolinol 682.4577756 473.3709687 1073.827508 801.0433671 1175.721046 960.5501349 1202.232069 742.4069381 637.7639548 38.44310676 50.40719436 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1014.096129 2481.520918 224.8350928 785.9695466 2260.989523 2461.764511 803.3858664 2102.403514 2809.91933 4.07813e-08 49.43217477 4.07813e-08 102.1556827 65.16401048 245.5485622 4.07813e-08 4.07813e-08 29.53887993 466.171868 1070.28651 366.4432797 1218.972479 802.0197564 1127.66381 2762.688189 2068.619592 1512.822186 2103.962264 1741.812376 1073.783965 835.4691952 229.4070674 90.72455155 965.9047135 30.67813088 1773.43043 PC(O-4:0/0:0)[U] 1088.975884 3850.011522 137.2579581 239.1198061 613.9837062 509.4717056 537.4752004 1729.927189 1308.645965 22530.46701 15446.66255 12679.46863 25987.45075 7821.700709 10576.5576 7758.151227 9083.843808 11906.65756 1436.08113 1223.603538 726.397362 519.4911386 1513.524072 2723.7084 1196.353884 2428.074057 2556.999386 14549.70614 14155.44374 6349.421404 9000.803404 9177.383526 8872.32297 14863.10465 8640.658725 7354.564805 1813.925406 1048.229386 564.2500853 2543.384002 430.1997574 778.126495 2424.058478 2793.076309 1241.240174 1757.347254 1734.420771 1324.845777 1354.639292 3120.06237 11620.51972 1595.270589 13366.69649 1989.479786 2-Pyridyl hydroxymethane sulfonic acid 184.8497212 148.4944593 72.26286193 134.5725747 60.66794244 0.00172594 65.70933338 201.8540644 153.7640025 616.5251271 441.4837846 505.1892594 893.2127706 113.699485 246.1959648 1084.21437 338.7259367 1389.290659 23.53543403 62.98874231 87.45110552 51.70042855 22.32278942 17.07237721 24.68807487 55.21537992 2.511793629 1541.840166 930.342668 2816.824269 2170.891266 2686.116045 1009.339924 980.0472732 630.2936838 1463.208813 36.30914457 95.47333615 37.87463354 79.87901762 0.000869618 177.9524222 70.73470441 52.61884568 59.70553866 4.07813e-08 47.60029783 69.40284128 215.129845 269.6839393 1031.505488 107.4468164 1504.35941 42.3184166 Mesuagin 11654.16236 8259.694197 7043.784938 4360.876735 2291.354575 6285.815169 5968.358359 2660.426707 1955.348177 5357.412736 3660.732851 2704.311987 5755.754701 2181.198698 4103.107971 1218.160759 2555.309133 663.489711 4433.661502 5227.558302 4106.33307 3263.753187 4068.435749 3916.102215 4913.708031 1891.115735 3139.081825 2008.976653 1602.792677 1435.941719 1873.414863 803.9033825 2463.692819 2376.79606 1912.353581 1892.013317 2580.660689 3542.292993 3256.509906 3739.822238 3643.172047 4100.075479 3655.11827 2321.670508 3842.402352 2763.196766 3147.796806 3288.601183 2485.542976 1580.537975 1496.323733 2655.691016 1122.166742 2810.100776 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone 3-alpha-L-arabinopyranoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8285.850275 7984.009874 7129.886266 8122.257359 4150.207732 6507.598561 3891.106061 3385.959464 6189.736967 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8577.742579 7287.644167 7627.082572 5631.874787 11586.23946 11561.82517 8606.673787 4542.840864 7615.384915 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8812.38048 4.07813e-08 9258.205438 4.07813e-08 2-(1-Methylpropyl)thiazole 1730.096234 1418.340954 1123.394875 1189.635219 2040.268879 1104.573156 2349.48144 1728.951412 1127.529274 200.1696285 306.7471799 208.7979425 466.2202165 217.87834 147.4350909 54.72062566 4.07813e-08 159.5733482 2233.17855 4141.403674 1223.900631 1554.810636 5124.981888 5843.662567 2813.287324 2120.108606 3054.784461 149.1227157 131.7092269 40.33742819 177.7554184 203.7282758 259.1310031 404.8558967 39.47491623 166.1893976 1662.921693 2154.161212 738.5111034 1695.884761 1787.605999 2784.569874 5112.361532 2101.516486 3221.752241 2706.226156 2007.920141 1389.626634 1057.263534 983.9380471 454.4583508 1038.011322 103.7836746 3858.437654 1-hydroxy-5-(4-methoxyphenyl)pentan-3-one 1473.135777 1534.6681 1984.676599 2532.69323 2727.966455 2214.840934 2334.143879 1347.888767 1537.811122 629.0232772 571.9762619 962.645089 629.1614599 745.1730564 679.9917492 549.3206781 256.1037513 476.859776 4160.029771 3713.803932 3699.326872 3222.891177 3798.864167 4262.408348 3228.288429 4196.876826 4339.070266 670.5841588 927.7086626 888.5478472 609.4650154 1020.149872 882.2971933 1086.502702 326.5492737 779.0984845 3074.732369 3988.683918 2937.956708 3205.530883 3776.361403 4073.367233 3564.896171 4793.432708 6425.724479 2724.240613 2318.290972 2546.370435 2492.858224 2371.345785 821.3079305 2458.903485 977.346493 2780.087806 Hygrine 2502.327836 2117.465308 2664.328798 1772.731544 2205.80781 2239.859385 2432.260216 3029.952754 1800.489519 393.9348561 458.5883454 464.5703103 548.1566979 471.3726648 653.3272847 625.1551716 682.4806818 724.5633863 3097.817302 1412.652135 2420.056708 2295.826863 1922.217877 902.1463379 2815.740294 4361.890577 2365.568405 409.5107232 609.8935926 711.0777234 666.2092143 449.2714844 480.079918 409.3970173 481.1517431 612.8556583 3859.852284 3236.496126 3543.864417 1940.913629 2126.428628 2782.085495 1376.365565 5128.075189 1734.965333 1253.755075 1204.414993 2454.421009 3143.143673 4762.451817 348.4970508 2627.465932 303.4531484 2528.364792 2,5-Dihydrophenylalanine 691.4082909 701.7406818 687.3727257 791.2208699 828.8165807 838.2741416 1089.281721 623.0451747 613.5575806 116.109573 237.3369806 182.80494 34.21938395 97.67215141 223.5367855 113.2346776 70.52178399 100.2911317 1669.650078 1698.534414 1090.204577 905.517902 1587.427427 1866.138343 1396.214296 1689.033753 1651.428404 138.3697691 64.56164016 71.06678002 34.6405425 78.50393389 94.49861924 144.0075034 95.56476552 39.52499717 1135.095152 1287.656774 1096.776764 1021.197556 1636.549974 1442.696956 1908.622989 1687.746739 1841.307086 1055.922305 817.8320172 971.8445452 937.640043 671.196064 205.5369413 997.5164196 119.9219323 1253.31826 Physostigmine 3751.884389 4980.87963 2950.331922 5640.5454 4537.945738 5758.976366 4796.439294 6751.937474 9885.941418 36.54397316 163.5289028 192.1018967 60.23129683 37.05648674 365.2656051 26.87236066 104.8440747 115.1152279 2054.283381 2298.662139 3900.1615 2216.178736 1770.579273 1110.721174 1497.393982 1649.61805 3270.009443 204.5071382 119.571041 19.68493952 423.8714906 35.70107993 219.4188 105.2346428 193.3179498 95.5783619 2366.831938 2738.531189 3073.018009 2580.28188 2151.767879 1501.913867 864.2792758 745.9669605 1444.781278 1493.820025 3994.08083 2849.480528 3462.496413 6397.782167 20.38970211 1785.87356 173.852723 1106.42871 5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid 1302.342178 1182.542535 1684.059715 1831.765883 2078.866517 1535.27291 1714.337387 1728.504968 1264.313755 862.2799112 875.8592516 984.2879767 538.7729074 644.6446959 1195.276219 316.4198063 817.3982984 1076.545589 3913.775743 4044.527145 4052.839176 3470.7404 4847.982219 3834.431323 3875.790598 4315.43232 4897.147028 1108.25159 1181.89645 795.4493765 666.0103091 873.5689918 953.9801718 1368.493654 793.772779 566.1164405 2810.185065 3091.789373 2874.84218 3512.202916 3943.739704 4584.997959 3333.419583 3986.634337 5131.279615 2808.991143 2396.965728 2727.130424 3341.241704 3518.316295 1476.753601 2990.899976 2520.189901 3221.986524 Taxiphyllin 301.8760138 416.8489888 109.460305 102.8787616 84.63994481 1.400323794 116.816801 124.4278108 95.37095139 1828.990655 1219.249948 2422.432935 1756.374921 1565.488536 1656.834834 776.8385385 814.6513438 1533.863097 116.9539077 287.3485818 108.4442564 42.41090278 252.9953132 175.4901781 140.4631504 2.760931931 78.05289629 2540.507501 2014.401049 1458.980534 1166.970377 2389.758569 2469.058431 3374.119313 1005.561744 1562.159417 22.8432595 141.1835788 49.41165609 64.88023775 10.0651188 433.3203081 235.9645854 291.509434 189.8295168 6.298534976 279.1488611 255.4444392 77.93738114 511.529644 2924.946803 240.9155459 1860.188443 310.4295408 Luteolin 3',4'-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 4716.571553 8407.072395 4.07813e-08 3078.87265 4.07813e-08 2182.99272 266.3770906 13908.1748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16335.32743 3203.489101 1074.763146 1429.942247 19665.27361 3012.803256 4477.146447 2756.839709 1809.314806 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8367.065164 4.07813e-08 8233.939221 4.07813e-08 3,6-dioxo-decanoic acid 952.2173638 1207.191197 1066.551979 1231.213718 1733.800907 1173.086282 1006.509803 1163.248748 651.2840471 887.2470177 1206.333368 515.355476 626.0375887 544.0517076 2009.465133 538.7416624 341.7871343 917.170525 1497.055201 1598.199202 1371.361584 1200.467 1823.848063 991.947992 1608.927921 1205.394863 1376.847149 260.0457944 845.410044 623.0944912 477.1883425 668.6056013 395.3341727 917.4427413 574.7989704 824.7480774 1200.584687 869.8128785 1250.183585 1330.848025 1459.998076 1721.808007 988.2092836 1401.818965 1815.468633 1720.194363 1073.949082 1275.547322 1406.954365 1957.130952 1011.298113 1544.190669 742.8289476 1203.921802 Dinocton 6 2877.526403 2801.520435 2154.281421 2633.422545 2949.732962 2801.764594 3560.988327 1651.064306 3454.324082 10262.06604 9055.038892 7540.28465 11507.16235 5888.610319 3172.72035 3593.424274 3594.921668 5420.76725 5882.088614 6650.919189 6006.602421 4833.211164 7664.152172 4757.663726 5022.28803 5444.909459 3328.756561 7763.969566 7815.879762 5947.614262 4831.804992 7935.584762 5208.508829 7576.519633 4039.976738 6067.585089 3961.955923 4546.814659 3335.057909 4390.517909 5195.026851 7141.308585 4153.284169 4867.463321 7798.493112 4453.640945 5701.330904 4316.837745 4440.924314 2942.436044 5027.114711 4243.683068 6768.622743 3284.796101 9alpha-Fluoro-6alpha-methylprednisolone 21-acetate 411.2103286 1714.241831 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 274.3489345 453.3809014 443.6779296 1705.084367 997.4381664 2741.240154 1865.268647 515.7610242 2422.197699 1058.440659 9075.192522 164.9593662 4.07813e-08 4.07813e-08 167.6837052 4.07813e-08 316.7409863 4.07813e-08 258.9658913 4.07813e-08 4.07813e-08 3247.616942 1215.5849 5569.476519 751.419773 1140.975641 3029.102866 3239.243045 2792.799953 135.2828588 386.5124471 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 204.2958407 4.07813e-08 624.5819371 344.072893 4.07813e-08 301.6070203 977.3790821 191.0108812 619.5485544 8237.066745 337.079982 2785.778084 4.07813e-08 Metolcarb 701.536966 553.0289501 756.6916484 1091.657196 1467.626617 593.5185479 1467.17654 720.8295894 369.6555649 166.9660536 119.4714438 451.4170519 50.47060909 51.88892753 4.07813e-08 60.68277519 45.55993905 65.1538907 953.6533456 1573.771839 898.825938 1026.65819 3427.666078 3497.192074 1849.785356 973.8316598 1873.70675 61.82729826 4.07813e-08 4.07813e-08 4.07813e-08 117.2746684 104.4043803 160.4738592 4.07813e-08 36.51026723 817.3584795 1125.534064 738.2010677 988.1205763 1032.723521 1812.671153 4072.620187 972.6842613 1687.057917 2246.106191 1043.612073 820.3831494 616.9296898 674.3053518 98.19724671 804.1406346 89.50916371 2359.492187 Ethacrynic acid M1 4.07813e-08 4.07813e-08 4.07813e-08 51.03577247 43.76964039 4.07813e-08 4.07813e-08 92.9180446 4.07813e-08 2503.169817 2187.675246 2634.258407 2384.124428 2293.008714 1481.004125 1403.057309 407.3130467 2497.30003 247.367564 244.2769408 378.1484241 223.8593502 135.3663575 4.07813e-08 216.966706 99.63579829 338.5167037 2073.044062 1829.529206 3714.030291 1826.132073 2185.618474 2945.880518 3205.584475 2811.939948 3052.322678 127.4886623 87.95238098 78.45507953 224.3523183 143.4600635 382.5808924 103.4497517 4.07813e-08 112.7169871 4.07813e-08 87.93192768 267.9765937 149.3765171 259.6001125 1981.793024 146.5571575 1637.386377 280.2944644 3-Hydroxyquinaldic acid 1617.959791 2830.693838 1333.112538 1412.491731 1232.88239 1221.382313 1721.709598 1444.656251 1772.445612 6418.557335 6567.945363 5340.079621 6872.868937 4821.444554 7185.494253 4407.884637 2549.995054 3718.538385 1609.636632 962.1708632 734.1490461 930.4907225 688.2952126 705.836902 1385.282003 3106.292127 1929.133186 3770.202424 6201.137669 4781.579489 5859.370921 5748.740132 6962.566772 6932.426029 3834.921545 4656.695316 3226.111773 807.9178705 975.9136666 644.6481875 757.7289887 999.4301828 640.586535 2601.670422 2840.212906 751.315225 1566.368561 1266.284004 1580.003946 2413.313253 5229.10008 1282.047001 6061.172076 1692.467387 Pelargonidin 3-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 19200.51636 16140.87692 9237.314423 19579.58324 7375.844438 12211.75365 3159.072559 5703.562593 1001.631445 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9844.202651 10100.58879 7241.377375 9084.554017 11989.33944 11671.10728 14197.61572 5645.044579 6168.399445 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12397.47304 4.07813e-08 10606.32102 4.07813e-08 RUTILANTINONE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1310.695792 1161.142762 2724.678242 1023.146657 1257.4291 2580.825567 1748.601009 1486.193622 1517.876079 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7220.087803 4742.483086 579.9534276 6342.093077 6218.57266 1219.011271 4719.669172 2624.372895 2724.350578 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6511.38703 4.07813e-08 6167.312578 4.07813e-08 Hydroxyoctanoic acid 678.1803686 790.5250009 932.7472631 892.3004629 1063.442854 748.4564389 456.7025232 418.0093112 586.6997211 891.5644239 1006.022735 916.7489915 1007.734494 991.4150236 2757.15583 733.5850856 280.4987431 739.6557102 749.6618482 638.133844 559.7921452 432.5650021 253.5265167 269.3414375 298.0380558 887.9570229 503.9253809 551.4904211 487.6409412 775.3880232 582.6035834 607.4117566 899.6291014 798.6313247 890.6295833 911.8922821 518.0541516 356.0369852 753.6044314 569.8522598 536.2785302 484.6513292 319.2485218 933.8745759 345.2892062 302.1175903 376.7725292 336.3475219 685.6403679 1081.990606 671.1406963 521.5253161 457.163037 374.8504005 IRIDIN 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6765.276863 5323.09741 1778.1454 7070.865845 871.726089 5561.315046 804.2021079 6904.425976 9391.787982 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8282.893471 7173.004158 2274.880739 6373.25478 10158.57577 5631.237543 8516.759668 1904.521935 2217.241991 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 144.6211166 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12367.67918 4.07813e-08 5942.626535 4.07813e-08 2-(4-Methyl-5-thiazolyl)ethyl hexanoate 4.07813e-08 109.0596163 4.07813e-08 4.07813e-08 4.07813e-08 1163.181245 3333.990796 4.07813e-08 68.87463925 146.7265336 68.90108261 4.07813e-08 4.07813e-08 119.3427723 2277.036169 4.07813e-08 4.07813e-08 4.07813e-08 142.7477891 376.0715841 60.48556894 4.07813e-08 4.07813e-08 902.700862 1328.448615 205.2428143 141.2757866 58.65416368 37.81834159 4.07813e-08 4.07813e-08 67.58172819 858.369401 69.56765349 4.07813e-08 4.07813e-08 168.3668522 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 330.1864806 888.3673734 4.07813e-08 4.07813e-08 4.07813e-08 63.75577126 4.07813e-08 4.07813e-08 112.8104266 812.4858855 4.07813e-08 61.80553456 4.07813e-08 Ulexone B 78891.02953 51965.53014 84735.29688 105545.6625 110481.4834 69266.57558 66529.1047 57169.21481 65762.95491 20.29725389 203.190595 99.87477772 87.57071462 23.86268393 413.2353064 155.8768909 1909.135473 175.5447177 47903.04322 48502.39144 38972.54195 33357.99958 34870.58885 29336.17201 34603.70713 55385.73306 43638.31467 195.3630198 1362.829438 1041.864418 4.07813e-08 832.4798088 83.86247905 420.6357978 528.2551267 610.3501585 48040.33449 37842.25983 36425.67586 35539.23158 42808.84561 41483.49708 30378.49443 60297.11838 49048.30723 68624.83206 35166.33075 33807.92344 43958.25438 23785.53961 1187.744338 38983.46496 726.6097916 55246.55331 5-Androstene-3b,16a,17a-triol 609.9633756 959.591353 966.414015 1464.224844 1218.910017 675.1492128 1747.88351 2327.365258 1844.411732 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1619.337058 3470.698702 1988.869631 3153.520126 2038.062779 3218.230311 3970.127456 1348.21852 1471.222949 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1535.312272 2635.939645 1045.083485 2168.439064 3023.983193 1141.007398 3060.922994 1048.884338 2050.911617 2549.586849 5331.698268 2762.575929 467.193523 1006.880067 83.85978408 1019.730858 89.31984253 1150.761933 Chrysoeriol 7-(2'''-feruloylglucuronosyl)-(1->2)-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 26462.12821 21741.67542 4.07813e-08 25241.49967 4.07813e-08 18664.22051 4.07813e-08 24589.29986 29096.72885 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27922.036 28115.48505 4.07813e-08 25828.92137 24804.28645 10076.30665 31718.58186 3808.344334 1509.239575 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27185.82511 4.07813e-08 31678.66409 4.07813e-08 6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine 240.2070744 177.8628686 315.2017162 485.5158427 726.4790737 824.1428776 620.4594359 945.7403909 1097.166746 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1723.886167 1600.432658 3557.642212 3341.711101 1406.088577 1453.666538 1210.448589 758.2138305 1030.155965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1146.168331 856.2038141 574.7905776 1700.747422 1691.623912 1999.0021 1329.602897 389.3628427 802.7009979 831.2516664 590.7784666 847.0142462 435.0262117 565.8527604 4.07813e-08 837.0135375 4.07813e-08 575.5740846 6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone 2077.777338 1858.29457 1773.794491 2541.433861 3213.443938 2299.488247 2518.428969 1615.808663 2023.644606 2229.670852 2549.182289 4183.594764 2014.13026 5007.17679 1702.137533 3793.692481 554.9170735 2676.961063 393.509859 518.4259788 1240.188241 1413.131501 322.7302714 4.07813e-08 746.6895098 4.07813e-08 315.5418811 1585.298376 2318.790937 5989.301089 3212.924039 2245.009135 3285.950987 3502.554763 3082.344009 4796.334892 1265.029417 444.2059885 468.2536142 592.9833671 327.9511254 786.9982259 4.07813e-08 4.07813e-08 1554.468197 4.07813e-08 441.1656225 478.1145299 261.1293999 1340.854918 2610.34782 225.6292952 1856.889974 305.3510821 3-Deoxy-D-manno-octulosonate 4045.001604 4191.396812 3899.490534 3797.483164 4118.76663 4550.748301 4112.560491 4024.929371 4296.950688 3335.42305 2388.805205 2517.73727 3097.437373 3096.642817 2173.174761 3552.725062 1284.683667 2814.767964 3100.221057 2946.202434 3060.99608 3911.92675 2705.939802 2902.079039 3903.907225 3452.637003 2889.690956 1658.09934 3233.255756 4167.705641 4218.592999 2014.673142 2807.685502 3127.993268 2465.81595 2899.050306 3716.639773 3845.763177 3580.309208 3475.718118 3506.312347 2837.821711 2457.159524 2938.847533 3315.014087 4246.658968 4053.36536 4112.153921 3366.692479 3354.043743 1808.50682 3918.580019 2939.497816 3630.146327 Heliamine 282.6678475 329.3065511 654.8586981 210.6036357 440.6477061 514.4978642 253.2057577 461.1483119 245.5848307 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2040.37074 1760.706785 2275.65788 1994.895698 1518.982944 1841.097032 1019.269844 3699.533685 2123.245133 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 611.5359199 1654.075858 1512.254755 1953.723142 2685.856148 1563.328975 1780.953064 3541.88563 2604.284741 980.231117 937.4850988 1719.228387 1388.968343 1008.237166 4.07813e-08 1169.24615 4.07813e-08 1106.903349 (4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone 2294.249326 1747.441592 1452.002615 1696.9078 2575.272884 1681.618956 1425.713853 1253.394599 1073.026646 2790.725431 2243.163213 1053.480883 2719.328395 948.091012 4651.827349 1110.480918 286.5763469 973.0878317 1873.369878 2064.392883 1872.625861 1776.090308 1321.330603 1769.177752 1446.01218 1949.924644 1929.685747 577.6943565 1199.937248 733.5586847 1154.122095 855.8330603 1615.711298 1977.451543 642.8533631 1139.905981 990.7945933 953.8816627 1072.796098 1244.428582 1392.142998 1344.195082 1501.637089 1624.037744 3088.259174 2554.107599 2339.231015 1420.560313 1205.676631 1034.016451 429.2430593 2004.289474 1343.277763 1640.197225 Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl] 33120.0157 52423.36248 2114.216361 4409.411789 10539.62523 3627.409915 3001.371307 5778.283595 37463.34456 120245.8559 112245.6958 312487.6006 120770.7165 667647.1887 331524.9479 242880.085 537048.6871 288775.5203 1168.76073 2026.799061 961.2662631 536.6776312 896.5306246 605.2421536 1241.397705 1644.307711 2215.368162 438648.551 94787.30386 75332.91001 78041.92118 116890.0324 103927.14 72043.31558 240092.3509 103964.6896 8717.512045 2809.479579 2211.714788 594.4363129 693.0941107 684.3168655 261.0432209 2585.687792 1753.250113 121.6883364 38988.07719 18251.84949 45995.77684 6569.04106 299642.2888 16899.21881 50992.03191 11348.34483 4-(1-hydroxy-2-(methylamino)ethyl)phenol 1990.620582 1492.525845 1970.941487 1411.962988 1682.181919 2006.549977 1370.115039 3302.337397 2623.188044 384.8408738 239.7487169 457.1286738 578.7713777 4.07813e-08 474.177325 191.4587152 180.8468712 897.904409 2590.633084 2409.406434 2724.156684 2273.574797 2919.194607 3528.25079 2527.447146 3461.479995 3481.30008 544.207646 543.9115678 209.7466606 214.6159932 585.6443611 416.0506691 634.3661017 4.07813e-08 185.6301255 1888.804068 2130.378053 2031.224429 2659.080356 2636.983233 2707.22153 2757.376538 3201.219045 2649.938868 2184.253662 1377.583219 2074.561827 1895.298681 1806.146306 463.34916 1893.398856 330.5201793 1844.642935 10-hydroxy-11-dodecenoic acid 2792.353086 1268.764798 1667.173039 2196.267015 2421.829004 2685.662997 1587.265699 940.2064258 1017.229531 53.75830692 4.07813e-08 57.89692548 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3102.75046 2989.965503 2936.174315 2953.557177 5180.2867 3515.273082 2857.983083 1574.529542 2299.596224 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59.51139225 48.60108363 4.07813e-08 396.5151216 145.6964404 1845.306996 2961.24632 2148.203283 2527.678107 3601.482516 4250.607893 3775.755627 1165.028752 3042.207214 3619.861123 1869.633169 2180.872486 1683.24256 1457.593644 4.07813e-08 2328.133711 82.29250678 1535.866493 (-)-Ormosanine 1085.550468 441.835881 230.500939 551.370843 96.82972136 128.7382908 950.4116505 1702.183816 4386.105084 1277.026582 1721.977327 755.8759365 1137.299033 1208.965054 690.1590013 548.1472388 4.07813e-08 3427.502295 541.4432473 388.9299215 4.07813e-08 4.07813e-08 4.07813e-08 379.4460387 318.3837628 93.13442158 229.3129294 4.07813e-08 307.8601884 275.3778134 4.07813e-08 1303.148072 102.979726 146.5213649 4.07813e-08 529.6689947 4.07813e-08 736.9089639 87.27437526 4.07813e-08 4.07813e-08 4.07813e-08 115.5662495 135.2322756 4.07813e-08 4.07813e-08 671.4736566 341.8292928 4.07813e-08 4.07813e-08 549.5848452 305.3703731 313.646501 293.3295405 11(R)-HETE 1598.451984 547.5611674 1051.534935 2303.437588 3418.463166 1989.885698 1332.076446 2731.837112 1918.508133 4.07813e-08 518.1960133 118.477306 4.07813e-08 4.07813e-08 4.07813e-08 147.9264574 4.07813e-08 4.07813e-08 7989.802861 5885.734637 3004.123875 7806.532525 6154.323965 5391.171671 4057.216054 3256.461459 2490.970273 4.07813e-08 114.4120873 4.07813e-08 4.07813e-08 1702.576417 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5979.025533 3005.429245 3190.361388 3471.44585 8954.669106 4148.485143 6064.376685 3221.489652 2733.416921 5926.072105 12095.9551 2962.888248 2521.598545 1873.820023 103.3117836 703.5452164 4.07813e-08 2436.636116 13-(beta-D-glucosyloxy)docosanoic 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 1648.26077 273.4919571 24635.32513 1226.222921 10545.79863 50402.20664 8778.38995 54218.31067 2066.799611 172.4330945 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11462.28208 4514.226839 4.07813e-08 7744.359559 4.07813e-08 4.07813e-08 16843.95129 22720.66518 1002.027292 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1101.284818 4.07813e-08 3164.651331 4.07813e-08 3-Methyl-5-propyl-2-furannonanoic acid 55029.19998 38919.02341 41982.76806 33370.91472 39182.2405 49162.70964 53143.27235 34125.81881 36913.76854 21352.04359 16481.94123 5852.849256 21407.10135 4617.976149 13229.51139 2158.542045 3507.848095 10618.85132 60910.69724 62091.41825 44752.76451 55359.35285 57128.10219 62538.9759 52212.96693 47619.03565 39618.1428 3586.97853 13151.86509 4767.221156 8620.706735 10402.76118 7223.716613 12536.14239 2057.988432 3877.256753 44990.69669 62915.63485 49326.67693 40941.75066 52676.90878 57625.39559 56288.86076 42494.73536 56124.26929 43091.68854 36898.21736 49951.6882 36686.58159 29192.26667 10604.21937 47022.94381 6973.289893 37033.91785 Ptilosteroid C 34678.98787 798.8196358 1416.58332 2593.838101 1178.614767 18714.90262 2184.77403 19139.2865 15584.38946 1568.479748 7175.978247 5952.922293 2121.920585 6430.12965 16270.96704 3290.046342 2319.580657 56695.11141 3229.211569 2553.815057 2026.820624 1977.773082 3369.413489 3752.117687 1953.851195 1660.306501 2532.541686 963.1524208 954.790338 4237.18494 1198.442019 26843.8523 10567.31911 33679.88117 21.08910562 41683.24195 17393.25844 2199.214561 2200.68996 1853.254813 2478.585308 2724.839696 2573.796194 1502.873416 2826.854121 1267.271209 5631.984197 2138.883201 11697.51276 1738.210261 34407.77522 4691.322888 2226.661469 24164.34602 Pisumsaponin I 4.07813e-08 2314.311806 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1246.118749 4.07813e-08 4.07813e-08 64185.42172 35469.62862 4.07813e-08 66807.51519 4.07813e-08 35397.74439 4.07813e-08 4.07813e-08 31723.88391 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3434.325325 4.07813e-08 4.07813e-08 11980.88486 64013.13867 4.07813e-08 52638.39835 66762.28495 21423.15299 67523.8837 4038.675594 4.07813e-08 20263.78443 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 701.6129427 4.07813e-08 68288.86141 4.07813e-08 50444.16527 4.07813e-08 (2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-carboxylate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1953.845245 1650.000511 183.2151823 8201.972741 5941.066759 12797.21413 56670.37138 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56498.81979 233.5233429 4.07813e-08 2613.558425 1842.723796 4565.452563 2508.429797 55346.18767 348.4812652 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 376.1861971 4.07813e-08 526.6591807 4.07813e-08 PG-PA 4.07813e-08 14.6414363 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.16695841 552.0755537 195.7060318 13514.84245 205.8128549 330380.2815 11880.33297 11725.44232 10099.31419 11069.91736 73.92050979 4.07813e-08 4.07813e-08 21.31560753 63.7526911 54.26639969 71.92575384 4.07813e-08 4.07813e-08 3261.7855 39.68113455 193.9920942 1107.080826 452.6646933 23.84923373 4.07813e-08 1795.719477 972.2114939 4.07813e-08 4.07813e-08 4.07813e-08 0.015438202 21.49646158 61.48002913 4.07813e-08 4.07813e-08 209.565402 4.07813e-08 90.50113169 56.98249835 6474.398889 1044.169726 20680.15159 4.07813e-08 13021.46846 4.07813e-08 Prostaglandin E2 ethanolamide 4.07813e-08 159.9381724 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51.89924077 204.0613021 84.70108673 9808.100404 15363.69185 23467.09447 8610.791967 23903.4023 15519.07413 15791.57294 7229.53375 4306.525175 228.4095569 4.07813e-08 171.5735846 282.8735016 146.638629 4.07813e-08 194.0722214 4.07813e-08 4.07813e-08 9617.064071 9526.691465 10368.12791 9641.273939 12247.82642 17618.95168 9638.900268 15271.18397 16083.9268 1858.76846 4.07813e-08 43.9915806 172.9264037 302.5255303 4.07813e-08 4.07813e-08 141.6686037 156.4939642 4.07813e-08 4.07813e-08 4.07813e-08 161.5210741 66.73397779 8688.385754 4.07813e-08 6067.46673 4.07813e-08 Isopropyl apiosylglucoside 4.07813e-08 9933.522923 1081.588409 618.700436 329.1239689 4387.646117 9554.417025 2461.187447 30257.91637 12466.69754 12410.94708 23850.6596 13045.42797 74005.35867 42539.8214 24635.98845 134114.7349 139427.6351 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 211.6990601 4.07813e-08 4.07813e-08 13472.96445 12887.44701 63334.74745 21879.11141 99183.76219 36834.25179 18281.95011 16159.6101 151708.2105 4.07813e-08 4.07813e-08 124.7181461 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7993.523374 3830.812682 6006.745059 5209.217251 102099.1351 7730.108938 23486.17136 5126.985934 N-hexanoyl-L-Homoserine lactone-d3 7474.482241 6707.162743 7768.613296 8794.864908 12581.73074 10284.00105 10907.9505 3593.13217 3816.045885 612.1948105 380.5202775 4.07813e-08 486.8296536 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15572.18509 7476.69831 16352.39004 12575.97148 12851.32477 8367.8503 8156.418053 7123.586426 7102.525886 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5066.288846 6055.953117 6673.241005 10502.66979 16760.37545 12841.22452 8618.966915 6371.720136 11700.76146 1057.952974 3411.564659 4604.953192 6091.514479 2767.859547 4.07813e-08 5733.128225 4.07813e-08 2903.253299 MG(0:0/20:3(11Z,14Z,17Z)/0:0) 1598.755578 1959.247059 2223.741217 4.07813e-08 4.07813e-08 2131.527744 4.07813e-08 2519.97808 2398.747016 1513.598403 315.8127717 31432.46929 1497.620607 36742.12585 39170.88789 10935.39622 35407.89104 33090.20799 2170.872065 4.07813e-08 3260.626126 664.3531121 129.7285385 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14275.3802 20132.30821 623.1995068 14880.96016 3947.246605 1980.446227 21189.03489 26512.59064 6224.830355 3688.972983 4.07813e-08 3929.222931 252.5274944 4.07813e-08 269.0891984 4.07813e-08 4.07813e-08 4.07813e-08 2421.263864 12676.22302 5173.963885 6809.749179 1097.382858 4043.334573 6694.789484 539.8965259 1833.989945 Isobutyl 10-undecenoate 7147.241013 4826.851067 6537.468609 7284.776274 6851.033861 9116.447213 9885.659524 3034.304315 4355.871792 955.5455742 1469.081505 1188.423149 1574.853654 2085.302658 1113.771865 4779.41066 509.6929102 3784.423299 8906.885218 5814.349971 6837.464091 8108.614356 12436.14227 7773.328288 6326.523775 26934.53285 6814.32431 4521.979854 226.5293281 5043.398681 3565.173464 2160.966226 2755.551818 1554.802312 1518.95917 2663.898973 4606.383104 8031.49842 6404.519916 6675.139842 9711.057442 8764.680525 9482.521391 17877.00022 23013.82391 998.7466414 2988.051051 5130.643467 2489.580498 3136.408708 1564.509136 4367.169802 4088.263265 3667.32837 4-Heptyloxyphenol 14809.82902 16896.95288 16931.25689 23049.79709 13051.03865 14602.65994 31346.98105 6504.795966 12317.48975 957.7799195 732.2786484 903.4286779 305.0856839 1759.184586 57.47008569 172.4258794 4.07813e-08 410.4341377 12654.07729 22888.63875 15609.25456 16513.39392 11987.27573 18414.29166 18903.9374 7161.189736 5162.640641 4.07813e-08 364.3691333 295.9364076 4.07813e-08 116.9620128 55.18383414 55.13251802 4.07813e-08 1382.568224 8335.380248 23007.16388 16190.84057 10852.39737 15292.70434 15394.53379 17055.78903 6320.509215 7313.781915 15665.04973 12709.85089 32077.39793 12142.61007 7101.428889 106.5604577 18236.97505 4.07813e-08 9209.850709 16-a-Hydroxypregnenolone 38587.87701 26161.81713 31590.49299 21138.24199 18480.51839 42995.53926 42852.99896 21035.40972 27102.35074 7276.715084 6236.353874 1573.088938 6337.047582 617.4963417 1789.803859 498.1047101 1269.562798 2902.52404 58888.52446 60580.70446 46994.5923 53603.89919 55584.43388 63156.22948 45915.27984 42338.51776 39659.30091 789.2899493 5977.21055 1192.673136 2524.684038 9048.068213 2804.522887 5279.733844 4.07813e-08 4.07813e-08 36266.56639 51679.86081 43030.57818 43995.93918 64994.71945 49176.66577 67820.96787 36646.78825 54022.32632 41273.95781 36398.04964 52007.75914 30295.43692 28337.9238 4135.606537 41605.29839 4475.337248 35754.97919 1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-phenyl-, cis- glucuronide 23544.05405 66106.60022 7750.872545 2276.414935 6696.06733 17836.78117 10310.02251 34128.09631 38338.22676 165816.1102 45279.7245 368105.7989 171488.1088 415088.8282 327257.4027 396866.1595 291339.634 450774.7849 23.59647929 4.07813e-08 1764.936872 458.4445764 209.2734738 17.9930238 3.227168505 4.07813e-08 6.580941731 260871.3504 301300.9944 55189.61151 345925.302 130290.0785 95840.55299 256156.6678 400851.5279 150817.4604 4.07813e-08 11.41432103 3.754337842 179.6708523 16.21225969 5.972795405 13.44895022 4.07813e-08 11.77444935 230.9087713 128846.3246 38871.12197 142864.8123 43244.3167 217997.3199 39940.66926 79840.23384 62834.25912 3-Hydroxymethylglutaric acid 2686.010218 2307.162543 2416.79772 2292.56357 3148.369071 3437.85551 3459.173964 2866.173096 3509.703082 2126.01938 1865.809303 2102.530316 2113.489709 3284.125182 2103.37508 2774.514013 2042.684926 2459.523324 1753.708751 2255.31667 1909.511911 3021.092445 2321.584959 2356.016604 2335.311503 2542.872416 2129.803648 1926.122377 2302.074494 3041.759135 3064.106582 2442.866076 2410.760077 1987.237335 2414.034242 2384.757072 2442.112186 3354.91373 2597.63487 2357.783215 2315.976304 2245.136099 2023.099137 2495.917348 2530.784704 3697.128439 3370.463286 2568.531217 3043.496165 1886.791886 1658.780038 2015.834842 2475.564587 2549.54344 Glycyl-Lysine 1075.656518 1631.507259 356.7429839 1181.772408 936.4787466 940.295917 1785.976551 2641.132938 4132.421728 4256.829831 5750.93647 8005.18824 3116.87139 7508.419648 3580.877489 6591.728048 1762.669753 2755.982041 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 167.2499528 424.9741749 136.0975061 4.07813e-08 4.07813e-08 6589.178309 3627.006026 1445.445048 2497.678462 399.9266247 1813.157622 3196.627765 2102.519235 2464.984095 333.619315 4.07813e-08 89.23853856 266.4554984 94.49034522 4.07813e-08 166.9480336 4.07813e-08 163.7898456 484.5798703 1057.018763 4.07813e-08 4.07813e-08 1551.247654 1220.542136 306.0416243 8905.140411 249.6618069 alpha-D-Galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->4)-D-galacturonic 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 4406.33524 1383.455951 5915.103189 1981.788984 5029.986711 3685.665635 4.07813e-08 1365.062052 1081.043535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14950.1669 5930.715021 2638.904323 5846.120531 7600.838786 2452.936594 6689.944581 2810.307393 1586.224119 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4334.586782 4.07813e-08 3500.598732 4.07813e-08 4-Methylbenzoic acid 1437.508326 1648.572767 1611.784969 3429.690618 2385.419872 2419.260436 2165.952802 911.0624384 1166.895186 1324.749819 1660.041797 1203.975312 1009.901043 1681.732612 1480.130423 2034.874125 493.4572461 1683.017728 65.83050298 4.07813e-08 4.07813e-08 471.9328044 529.7530101 242.1541412 300.0320961 311.2412953 173.2263887 640.0616374 989.739295 868.4023327 1998.759302 638.5579749 1412.750012 912.0232278 1034.829824 2449.426637 91.99895194 4.07813e-08 1019.03295 393.0123228 641.0695167 319.0246388 4.07813e-08 4.07813e-08 796.4374043 1372.112574 992.2305729 573.6999219 379.6860226 278.4454905 552.1186579 1648.219268 1149.222552 1880.377079 3,4-Dehydrothiomorpholine-3-carboxylate 23855.69772 10787.73547 8385.839234 5725.932914 3249.285356 8821.509712 4112.113866 10277.4637 6845.460237 4553.79398 3269.27675 25255.32944 5668.80398 18104.51272 41518.75199 20053.71514 84058.00752 45819.15244 1536.319361 1516.496468 1835.841044 1809.424019 8088.284156 718.3759161 3424.837218 984.9846786 1435.263804 24476.97284 30459.63384 8869.507119 38519.43595 13349.56996 6839.453456 21820.87352 46153.06505 32170.80554 31411.30177 967.7020074 682.0413087 3708.443565 1375.403155 6541.184891 1247.489592 1335.2965 730.1180351 6514.864407 14442.32856 13655.80652 25836.12333 26374.97824 22657.149 9869.426891 10433.40218 11401.40862 V-PYRRO/NO 9804.713073 12319.0805 3872.212056 9144.897341 6650.531636 5706.789 7658.357056 12440.70318 15370.06673 4780.352387 21823.03133 7382.958553 4814.26253 2307.31433 6124.134514 8636.487419 2358.054262 8380.654825 2739.111171 3406.974282 5173.687656 3289.334363 3727.740729 2679.369183 3554.626656 3892.348674 5048.920787 15005.66639 8332.028498 2777.256549 8830.618491 3868.993569 6355.516071 8105.901032 7311.373838 5091.479014 4825.513877 3891.606057 5201.187784 5076.778766 3618.424229 3246.41018 3841.190338 2961.511081 2780.630133 2356.490897 5440.43486 4079.529681 4166.393768 6833.097276 3936.843965 3417.136108 5454.330679 2342.710877 (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid 45132.35242 117325.8685 66600.28506 85511.96108 118792.9079 113080.0584 179454.8372 125568.9756 96420.5489 117992.3562 83875.18882 149507.5038 113729.941 130548.6864 143720.8609 44818.33836 64343.76773 107487.5976 9237.324676 8646.02275 9534.186819 13150.56798 16746.34149 9305.038192 19974.1773 11737.20838 17661.48264 98150.16791 217622.9781 86623.26813 182348.1069 129891.6659 136507.7162 134319.7865 82053.0962 158231.6631 51340.53477 24638.13885 22198.51105 15226.22185 17661.32597 18637.24387 11791.53612 6210.800635 17436.51046 16241.95386 19139.9592 29969.87795 61443.65769 80557.32399 171838.5042 49751.94268 147419.9434 38231.7679 bis(4-fluorophenyl)-Methanone 1611.612296 2845.854524 2218.538601 1284.937891 1580.635555 1987.350429 2300.344861 2933.311524 3622.282959 673.6521714 544.2234092 1829.45606 747.2167866 871.309407 1739.292149 3355.297819 6015.195838 4190.932613 1150.974088 176.9361646 658.349179 1018.442419 1632.000889 425.5776452 702.0596689 1030.522469 954.431813 4685.90485 1502.432984 2453.159569 6195.445882 1949.767362 773.3937709 1717.663631 13570.55599 3506.740192 2375.100726 1182.262978 1277.499266 888.1966221 572.3566454 639.1994008 2441.892529 2154.77505 1557.974833 5448.006519 3373.341522 1712.233922 3347.304725 1763.512072 3855.757389 2080.239155 3914.223959 3628.265237 N-Succinyl-L-glutamate 5-semialdehyde 2834.867175 3084.386503 5077.340894 5264.431741 6008.405601 5359.50852 4633.814564 3790.877387 2708.947636 1476.983977 1627.343451 3133.550465 2105.869975 3819.08098 581.5522431 1684.850451 227.4265639 224.3758434 5756.051494 5173.534361 4628.547175 5195.799779 7429.541749 6618.452439 6129.287206 5573.799131 7238.217415 1023.726049 3936.855515 4204.547503 3336.794599 2113.648502 3097.261533 1373.885668 1658.06753 2334.522084 3850.058767 5310.101565 3617.918527 5623.14611 5267.890086 7489.099362 6941.483542 7522.902742 8486.607387 6518.127279 5247.803109 5613.868911 5198.944612 4807.604682 2354.001621 5586.525893 4283.0056 6893.025547 5-Methylthioribose 2765.966443 1034.387111 1651.668066 1929.626326 2484.075308 1881.107195 2294.855134 1396.585753 2344.771722 376.5894924 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3956.092912 5735.254429 4492.303318 3685.244332 4621.810366 4192.487516 3742.473947 3241.363428 3133.652343 144.2907313 127.0931438 4.07813e-08 125.10651 4.07813e-08 4.07813e-08 219.3036815 4.07813e-08 4.07813e-08 2585.822222 3712.043805 2934.955831 4111.788686 4664.680986 3771.115301 4452.390185 3497.929133 6003.122533 3580.19544 2840.303189 2926.128844 2011.708659 1924.482653 207.8482847 3148.478907 4.07813e-08 2819.854106 (2S)-2-amino-3-[4-hydroxy-3-(sulfooxy)phenyl]-2-methylpropanoic acid 337.9385032 712.9298757 387.3243145 873.625615 788.5651514 790.1709468 306.2459277 710.7184992 937.7841637 1143.872713 2958.318771 2456.0179 1443.410621 897.1211315 1039.636811 561.7243825 1259.691893 2200.849509 1582.759027 2332.147117 1896.048499 975.3254588 1845.263038 1928.4547010000001 1881.984743 782.0067515 1444.882908 1041.275166 1375.834833 1949.556695 4.07813e-08 2210.798046 1422.643637 1522.532904 514.6151283 1265.071662 1143.314811 1069.690901 775.8417259 1668.654071 1207.583179 1697.868742 994.3852486 915.801643 2826.410345 1734.419572 1558.893045 1789.59719 673.777045 1061.434754 3504.659706 1268.762386 670.6941685 647.3461782 Desglymidodrine 336.7852578 337.6927025 585.5962167 208.0412932 661.2902225 617.1430065 548.2240194 345.4189404 349.2672285 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1225.555138 809.1759237 570.9442052 585.5218346 757.7756192 897.7195229 918.4386808 1227.963627 1396.820168 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 120.7323408 493.5216187 368.977135 720.4685243 863.8490763 917.2298554 605.1131642 1086.369122 1935.017319 776.3232722 688.7097542 644.3660616 469.6062973 309.1165152 4.07813e-08 560.5103665 85.91167228 591.2742151 Tussilagine 2251.828878 2074.210311 2640.208755 4282.925555 3527.265271 2259.451571 5368.279911 6052.021832 4293.44094 2929.403556 1974.295793 3700.177377 2653.517748 2403.663488 4114.551874 1245.280359 513.8012361 946.6584732 3263.231476 5716.419733 1516.737127 2125.647572 6527.639679 7822.080854 5274.284602 3423.590078 6334.174571 4108.293972 3267.727274 1922.636668 2954.751983 5146.60531 3480.247125 4001.164015 1359.164971 1744.577627 4803.346121 3663.634446 2034.234181 3555.423063 5529.211935 4035.75211 8768.208803 4658.218362 5248.534769 5288.477159 4944.998174 5907.876666 6368.493374 6656.151339 3984.213678 7988.826213 3650.356242 9785.776553 gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide 4079.356589 5230.232035 4942.005082 6067.551724 4417.412806 4278.702058 4211.464776 4399.323432 4202.008981 4475.960922 3306.354825 3310.475312 4217.882808 2548.937298 3039.023247 2188.443348 2039.357945 3845.432202 6906.885101 9953.276653 5769.117647 6609.522384 7513.037394 8406.439331 6324.641616 10066.50684 7807.214493 2707.762818 2681.518917 3600.204006 1159.366299 4074.063059 2816.267122 3788.720832 1865.944739 4034.264755 6417.337764 9294.375597 5430.028899 6747.094498 7783.028902 6475.30932 6326.30933 8974.222979 9999.857255 4648.524487 4407.727546 6262.29929 4476.967826 5053.672766 3300.523216 4335.583212 5381.668826 5779.525664 Diaminopimelic acid 638.3059786 2147.595338 511.991494 404.4417542 251.6856031 467.9697585 906.3720177 1284.936582 1404.739907 268.3456321 397.3228492 751.7438538 266.5463671 84.33954218 306.5231146 344.1605319 383.7711426 677.3809098 2050.132767 758.1164516 2130.277719 524.8320675 110.249207 74.46883519 967.3600588 1635.561917 448.3336899 1118.481317 389.0471581 707.1816232 445.009653 1176.11145 666.5025748 463.6850218 697.8761026 893.7900402 1381.286456 581.6321882 990.93734 461.35784 464.0851854 848.8834448 115.5399083 1655.171076 618.0374424 777.9017497 240.8899982 559.5365015 2277.788979 6036.14409 1488.983611 154.9637363 729.6368513 400.104511 Alanyl-Histidine 619.2435014 369.2003933 440.6424015 159.5530558 4.07813e-08 759.0581397 628.0483001 393.8904322 287.4574766 54.99731982 0.289660518 0.037075558 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1661.681272 1629.803135 1239.299592 1352.906835 1719.158377 1486.754402 1463.109685 1679.824685 1510.706536 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.720779911 288.7431858 4.07813e-08 4.07813e-08 753.69091 1212.731985 1155.60165 1165.074109 1335.489477 1510.872553 1254.020214 1383.135852 2130.815391 926.1468937 737.2693868 585.2451384 757.1709228 586.7833552 248.0849572 713.7012189 67.14187363 744.9852089 Threoninyl-Histidine 238.0587519 4.07813e-08 107.3720972 4.07813e-08 162.4295395 269.3730622 203.988114 75.40880409 203.133625 36.1948628 33.28483752 49.27519169 52.4957409 18.86195284 70.81598319 4.07813e-08 9.313245387 113.1843063 1317.686185 776.4205132 854.4835465 336.9587811 1144.587753 1317.333167 1237.083044 1337.509325 1111.658979 39.99750437 13.47567168 13.02740821 16.98924293 284.166556 15.47954115 233.3144539 3.58945503 24.69746116 678.7031368 1052.639593 501.7291178 922.7021345 894.8561184 978.3247605 1176.643375 1194.460729 1913.211028 920.1094912 571.7202501 646.6311079 407.9190799 998.7393902 287.9385702 705.0569702 30.76448489 953.9678319 Methionyl-Threonine 7378.262331 11340.07132 4096.058784 7441.315869 3424.378661 3532.769482 8632.401787 10599.60571 8695.49641 754.4075122 828.807508 1567.175318 578.0586607 451.175159 1716.785989 792.4574438 1931.185841 1417.080581 849.9234592 1188.913762 2838.764884 929.7637602 1098.881826 1180.430453 1403.086245 1131.506195 1547.571606 1546.669849 787.9800864 519.521306 872.5782789 877.0457041 935.2878533 806.1801053 1645.197694 906.3518055 2598.849634 2539.699179 3230.962202 2841.221338 1150.670966 745.1810871 1025.254941 1036.299157 753.2336281 1034.464879 2775.169928 1668.678084 3773.171306 8071.298777 562.9088895 1532.69792 692.0556218 859.2139585 BENZANTHRONE 1005.713031 833.2023042 1596.63154 1789.379547 2736.23778 1605.824752 1553.13289 1212.275597 1033.802906 395.5501294 2374.612645 1152.804295 666.5196126 317.7544385 744.2038581 525.5451428 746.8137955 1526.509558 6072.150594 7889.910063 4808.530844 3665.743983 6982.45567 6280.846694 5181.240349 7609.065785 6897.841191 1842.800354 1810.387882 739.3400421 323.4866225 1881.519767 1213.071918 1340.17366 337.7536794 697.4756616 3475.614712 4814.616843 3817.248875 5437.179571 5949.425632 6509.693232 5624.504216 6221.254192 8600.725636 3880.395934 3451.878677 5182.555429 3023.379107 3354.592877 2286.492561 4055.781765 1174.099076 5454.156695 2-(2,3,4-trihydroxyphenyl)acetic acid 322.7196652 447.1401596 607.7299453 470.5621893 1441.378728 850.351432 583.8233847 487.3814902 118.4160313 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 640.3812203 718.5650354 696.4646203 570.7739382 1185.112105 720.0575909 530.8322241 636.5160347 740.9500249 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 227.6730293 405.942587 311.0184569 760.1378617 610.8502612 827.7893677 458.136272 448.2950832 684.4022705 456.9042677 628.4408779 558.3924924 500.2829946 490.0199757 24.94049151 698.19624 4.07813e-08 637.91328 2-Methacryloyloxyethyl phenyl phosphate 4.317101715 75.84364823 238.4316972 472.1054674 359.6894438 168.3468054 79.32863076 4.07813e-08 4.07813e-08 2662.351126 2338.354358 1603.933296 2764.182475 1930.486996 1881.382495 1502.462611 1953.956214 2421.327242 43.06118326 17.11288581 50.22479026 55.67794634 44.80508772 53.59778384 57.25255611 45.76182288 44.60040327 1589.553427 2154.789135 2120.541703 1612.039757 2626.089957 1998.117615 1964.533466 1135.381734 2358.123228 48.13742746 68.78794564 63.1741387 94.77354934 48.86794591 103.1052519 28.37412162 55.83046118 69.95180514 39.47483235 83.39411548 29.51536333 105.5617331 51.72388343 2174.694645 89.04800042 1783.602651 162.2407065 S-(2-Hydroxyethyl)glutathione 114.0323484 289.8955977 318.2457794 206.6356852 208.4927972 235.2867229 92.83309202 8.634531244 231.0250736 15229.53804 9894.879724 6373.204871 14611.71678 5870.245059 10484.32532 6995.004693 8889.358526 12981.54109 505.5428564 262.7303943 378.2746742 150.3802064 462.9037117 556.7716747 139.1563342 170.9405834 514.3394957 13072.44137 9746.870573 6822.892637 7926.346 9023.807141 6138.785233 8471.444697 7159.400914 8534.558333 107.0352924 396.7481569 440.7625958 77.45883109 470.8688047 578.6639906 156.6932108 617.0912286 932.5631007 563.70916 234.9503746 114.0928997 184.5584723 951.6865716 7688.850834 261.3125959 6133.733087 875.138371 Actinamine 7320.929033 8329.087532 4493.461215 8177.678763 3707.646493 5012.017981 7873.351154 8586.982482 8895.525349 809.0425231 919.5798844 783.3058669 891.2105807 249.8533815 839.3237646 716.4762939 750.8476097 878.8889893 1199.524227 2136.571609 2204.567071 1399.447263 1929.323125 1471.122028 1653.261175 950.1914996 1346.675978 1209.876497 686.0205699 344.0620264 1183.769107 414.4140584 569.3151137 745.1507929 936.7700106 458.6768016 2248.37214 2139.446838 2723.756136 3563.334142 1584.574611 1257.642064 1591.976802 763.2744049 733.1063962 1406.414496 2646.370816 2537.574818 4438.009892 6974.241851 475.6724539 2396.811013 1398.571732 2037.818516 Y-27632 (hydrochloride) 3789.355751 4652.92266 3169.757481 4148.435423 2674.651146 2544.525268 4259.856822 5291.529522 2580.885096 4.07813e-08 66.03013631 558.8236186 4.07813e-08 4.07813e-08 173.8792896 71.6507005 202.4748465 81.54583781 872.6222604 977.4816711 2051.192902 595.6355025 1304.610792 907.0345299 838.7244217 664.8709483 1334.707597 118.260307 4.07813e-08 4.07813e-08 140.91005 52.15652149 53.35970339 66.30040639 607.7560247 79.88121878 2082.180128 2385.244183 2142.746201 2639.959844 1216.247838 1298.508522 1285.587077 484.9829156 830.9446887 1076.877683 1472.514765 992.790514 3070.370888 5587.544481 4.07813e-08 608.5232793 428.208698 688.4235293 Fluoranthene 4.07813e-08 104.2200294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80.61071088 4.07813e-08 4.07813e-08 24759.28424 19553.08896 15829.99905 25090.5423 12895.82783 12618.75564 7659.87132 11214.43456 20559.59985 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14441.0213 18651.23003 16599.35498 10065.88016 19539.14276 11442.17941 14006.52023 5736.492389 14104.76163 159.188062 4.07813e-08 4.07813e-08 4.07813e-08 4.984580425 4.07813e-08 4.07813e-08 4.07813e-08 124.1939089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 225.8970163 19314.71746 4.07813e-08 18167.00855 4.07813e-08 PC(O-1:0/2:0)[U] 850.7145892 4187.675543 98.97060283 517.5956724 4.07813e-08 182.5353857 1287.150843 768.6165462 452.206771 7809.392247 7103.047723 5162.662857 8338.875233 4993.251357 5150.371054 2455.914439 5685.950565 5988.928642 154.7711853 485.0337819 353.3079109 4.07813e-08 86.46273978 4.07813e-08 338.0837967 310.2839391 123.2248715 6993.147405 7755.634146 7840.989469 5848.876998 10166.46648 6664.102114 8661.625376 3056.040742 6578.718391 3159.000733 84.72028936 1083.208544 76.13517387 4.07813e-08 4.07813e-08 4.07813e-08 97.29056363 99.75898536 101.1502672 298.0556792 605.65543 2029.31946 3939.739883 10591.73452 1193.565025 7307.98728 1055.266846 Phenylalanyl-Gamma-glutamate 2909.172944 6689.106829 1157.327683 2954.462744 655.7652189 821.189672 3109.722113 3833.67818 7618.130573 4111.950139 5967.208352 5008.703977 4425.134308 3215.373155 4924.690236 4516.635903 2729.453256 2281.268642 212.2019013 207.3280002 1053.282431 4.07813e-08 151.9312428 228.7135372 529.4542897 53.05048464 264.7934916 2860.178496 3389.2152 2609.173145 3236.083963 3938.681213 4097.841285 3335.215596 2252.373377 3450.996364 633.7621553 694.0779656 487.9700308 653.2551837 67.69059391 61.82091968 0.372740184 260.6580025 124.5732731 73.00962206 935.705376 621.5932505 2381.619693 8809.353828 1973.652879 771.2664024 5022.19231 907.4114018 4'-(DIMETHYLAMINO)AZOXYBENZENE N-OXIDE 373.0785879 539.3772955 3854.19891 1343.48411 1587.763486 6312.483481 4420.178821 2207.098682 4425.319542 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 168.8212829 159.1992893 4.07813e-08 838.9720014 4.07813e-08 4390.811951 3289.090984 5029.701111 4224.72918 4095.770257 7581.922176 4291.51992 1126.579673 417.2471036 4.07813e-08 460.4716337 4.07813e-08 851.3217962 131.3109966 4.07813e-08 1190.100599 144.5551025 259.2402826 2607.649476 2881.568726 3665.16679 2156.001893 8215.037397 2135.160409 5476.631738 763.9844886 686.0478342 11115.56756 10968.87191 8297.572072 5848.624959 1596.464119 2697.126792 5171.555526 4.07813e-08 4537.692307 Tetranor-PGE1 100202.4195 27761.1137 99133.1686 149931.1447 150338.9899 190243.1621 132856.3043 131024.0858 30955.26832 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 663.8898569 241.9962128 4.07813e-08 17347.77408 1156.261282 51342.25178 90279.51542 26918.73023 42941.65588 53598.23926 128908.0682 42793.59972 56477.40688 33268.32701 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4002.952248 4.07813e-08 17831.53124 146649.4377 48678.64674 124247.7222 148996.1183 46257.52218 129530.1182 53594.01354 17023.90343 274336.5314 44630.50558 82761.89473 20950.63 11485.21835 4.07813e-08 38690.21555 2561.026153 229093.1019 (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 3828.950966 9555.774654 7081.440599 4.07813e-08 4.07813e-08 15803.65809 7498.410969 21467.94701 35506.53791 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6515.872692 30182.70195 467.1661793 42675.05746 24638.47174 30227.31718 28630.39461 21699.33732 48467.33659 22627.73677 26706.35897 26432.5421 438.1414668 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 964.3384084 4.07813e-08 30902.67604 10870.73408 18852.50739 7794.296604 31446.25303 21033.33691 48671.32722 22650.38793 27027.15177 49569.22623 40407.95435 40946.99885 20453.29434 20003.74783 569.6992616 25287.93369 305.4794541 36262.92114 8-Hydroxycarvotanacetone 4362.850769 3062.200626 4213.597096 4573.460235 762.0813136 7293.994609 4876.194855 1749.700986 4143.214487 2718.705205 1016.154746 1232.360858 2093.692964 1342.781225 1418.322624 1937.938188 755.223346 375.1881359 3481.452813 4510.720109 5093.547947 4990.583571 4286.982904 5214.931776 2082.766276 8135.764666 670.1697058 210.2450661 1185.687835 522.6571824 3494.94221 1328.041105 972.0848442 2759.071453 587.256537 746.675671 7532.118628 4436.635814 5246.551887 3856.150304 4713.647126 2354.245973 5567.865517 5902.09957 2563.159603 1297.652586 1822.004658 7256.887176 3480.188679 3456.132954 1153.731805 3130.95422 3155.554374 3891.580765 O-BENZYL-l-SERINE 7663.413489 7107.794786 7971.295446 8857.105701 7933.180962 5795.422785 6860.766201 6359.852712 6598.790823 5645.334208 5564.247159 5790.23411 5446.330907 5336.305453 4910.05244 6674.483421 4822.470264 6304.121078 4981.732423 4486.336557 4868.40431 4507.530597 4812.76952 4581.654528 4930.387263 6063.955257 6316.287721 5430.165441 6930.173448 4829.473197 6028.114046 4743.462737 5060.932477 4921.723483 5720.186157 6922.34185 6521.81073 4937.889839 5019.128628 4579.229763 4185.449629 4828.344448 5190.651324 6911.132611 6378.621443 4387.953839 5592.987128 4791.101368 5699.905599 5753.518958 4250.597228 5914.189822 5494.864433 7196.161469 N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 1246.851919 1114.530737 3593.205255 3526.220363 3166.362697 1233.522327 1875.79364 4.07813e-08 1095.434953 4.07813e-08 154.3190583 166.9223649 329.0113618 565.9843268 4.07813e-08 1056.922648 149.4200579 4.07813e-08 2295.392378 2202.869603 2593.146304 1758.164708 3683.389391 2865.137024 1451.309275 3884.073899 768.1599245 4.07813e-08 4.07813e-08 638.1712914 4.07813e-08 291.3423781 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 640.0584383 1679.171925 1797.194206 2011.504351 3367.187612 2397.554242 3294.619478 1540.243248 2863.890816 4.07813e-08 901.2541381 1595.10389 934.7579315 328.8786548 4.07813e-08 1103.792077 4.07813e-08 645.5377458 S-Acetyl dihydroasparagusic acid 114722.1755 113791.4832 119486.6806 113402.6764 126495.9896 114756.1852 114628.1574 111608.5726 119501.9401 90361.90825 85970.89296 81150.51318 82867.51161 97456.30167 76955.25487 105149.5088 76127.80731 100731.9654 82769.31163 88645.31225 77343.73612 94496.91638 90201.74199 85741.46368 88176.26233 94922.52196 95408.39953 77087.84341 96359.12311 89951.70002 112939.1276 85061.49619 85470.22499 81453.67426 93377.13215 100772.5898 96899.89766 88185.75414 92138.90047 82775.75928 81574.6824 88939.18128 90676.1562 99313.33131 96773.86428 102074.9277 98209.89487 91497.29158 95231.55997 90148.89472 77437.03599 91905.06332 95983.19903 111502.146 gamma-tocotrienol 8513.504871 8600.037526 6990.034419 4.07813e-08 4.07813e-08 6495.754239 4298.474411 11340.63515 10607.04402 101.7437787 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9272.508659 11401.22387 15458.32956 32110.35982 6273.748733 875.3617747 6192.642778 846.8120615 1137.78599 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13460.91849 16015.54521 18237.04986 9383.984754 29436.32669 5517.635356 2147.215191 1148.303994 9857.595776 4.07813e-08 3137.890483 4033.183485 7963.175855 8598.333128 4.07813e-08 8693.93028 4.07813e-08 1868.956094 docusate 337178.8397 331066.0864 325972.5457 337130.0442 366136.6029 318664.8918 320847.5289 311741.4573 324284.8637 271105.5893 263186.4877 260586.3849 256588.7133 292061.6753 221874.9476 315242.4843 235455.9151 289128.6811 244197.958 248604.2449 232760.7113 251752.1955 239100.9981 242014.7369 250874.8452 290732.0488 272519.0606 257221.6947 281647.1952 258698.5786 325260.0411 239686.5636 270290.2518 250339.2971 278376.2043 303450.6862 283682.1195 246483.7998 259445.0072 238600.745 232435.9762 252992.508 255418.6972 294308.9877 290318.2227 278546.5963 273040.94 256271.2651 296810.1425 281221.4585 220203.7612 274761.2581 282102.9007 321037.1142 Clavamycin A 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 388.077566 4.07813e-08 4.07813e-08 84.43007712 2358.05614 4.07813e-08 2304.904222 6491.30344 293.5677389 17071.1083 4.07813e-08 95.78960599 266.241747 4.07813e-08 4.07813e-08 4.07813e-08 155.6757034 4.07813e-08 4.07813e-08 81.96412341 11557.73255 2538.108288 6316.466864 1700.369909 4560.665867 628.3090205 4.07813e-08 15217.03196 2296.254035 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65.99803444 79.64162444 4.07813e-08 319.7726235 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3064.365707 182.3704399 3094.917291 4.07813e-08 1,2-Epoxy-3-(p-Nitrophenoxy)propane 460.0447701 721.6347364 1049.685121 1526.158288 1813.532856 1035.718833 693.0525037 104.3772354 4.07813e-08 421.2050799 584.7092739 1238.897459 331.716416 643.9000198 511.5205906 482.4516606 4.07813e-08 4.07813e-08 891.4891278 1035.056103 1053.555448 920.8398664 1468.849501 1001.378402 808.8992955 932.9220941 1104.717391 511.7936404 429.9307917 526.7526429 153.8202741 1028.702193 757.6622127 775.5450621 45.5671312 361.0720296 808.7487401 597.4723531 685.1348819 1013.339659 946.6174959 1469.330792 900.4193295 904.4602901 979.6703247 862.989792 921.3628698 677.4294205 769.716503 1047.388071 581.0877454 786.5630423 397.1813254 853.2479223 cis-2,3-Dihydroxy-2,3-dihydro-p-cumate 1620.712511 1408.921876 1849.482203 1971.879008 2367.636342 2056.534267 1715.143438 1714.211206 2090.799226 61.32593231 74.71164129 251.5581352 200.7609755 129.23798 197.0066297 4.07813e-08 4.07813e-08 150.8452188 6301.275326 6325.565068 5912.115948 4983.707215 6826.687071 5856.017515 5178.122987 6443.343648 6688.895149 1034.251526 677.3800568 80.96453037 327.6948784 757.726711 585.8944177 1457.783784 90.27061994 44.68068703 3861.797593 4743.126557 4362.071792 5519.804377 5669.506085 6055.959659 4885.267356 6004.444562 9320.523549 3208.335027 2827.605475 4039.40663 3354.592727 3423.707007 1404.33813 3754.495633 414.1701416 3505.613236 Caffeic acid 4-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 2044.003493 1465.61287 1203.687189 2588.765013 489.5795151 2340.551848 846.2096602 1334.583042 2261.049687 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5442.069441 3131.541424 3006.430993 2009.618988 3539.715256 2905.963218 6366.135547 805.8516117 4211.873594 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2967.978471 4.07813e-08 3801.841267 4.07813e-08 Pyriminobac-methyl 4.07813e-08 147.9201666 195.3340187 60.63144061 4.07813e-08 174.9482991 4.07813e-08 272.43363 106.9835367 11060.66836 4048.412487 626.827949 11882.48371 1758.30962 1190.741249 1605.549433 750.7277055 3358.979943 772.9963917 1439.66879 910.5771096 882.0094542 1151.151646 822.1550587 751.4291285 455.0266181 610.3993512 4574.779063 3778.27036 2409.688343 798.7049834 1021.583889 731.6323246 4027.280395 856.7726944 1951.450542 75.05849788 985.1142958 486.5916377 852.7877193 1070.454265 967.0401669 893.7016449 563.2221396 1266.355744 208.8114718 613.4979436 722.4237791 336.3312875 384.8840187 2002.513619 351.6837378 2426.963758 395.143287 2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone 4.07813e-08 863.6450579 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6524.919324 7781.896825 5140.959103 5365.310278 4866.206424 5173.117945 1023.301792 74.55036709 2834.954774 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 617.6411899 7161.580794 4250.893074 4733.162812 6734.420279 2744.542341 8699.166163 989.2513184 2205.488952 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 87.33436562 118.8552376 6348.102721 4.07813e-08 3838.549885 145.8942392 Benzo[c]fluorene 90.79765123 2154.710592 103.4300323 4.07813e-08 83.21930595 4.07813e-08 487.8315732 848.987316 1922.385487 28212.7391 18358.66342 14780.9572 28722.79492 9783.213491 13299.92113 8611.545449 11901.84695 24313.68786 4.07813e-08 4.431092827 4.07813e-08 4.07813e-08 85.38590814 0.419923065 47.53070541 4.07813e-08 4.07813e-08 16047.8712 15908.51027 13718.55752 11499.67136 16025.06562 9177.820197 17271.31153 7664.01225 14707.57199 102.976625 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.485844039 73.24284418 4.07813e-08 4.07813e-08 4.07813e-08 66.82711801 922.2684649 3069.554929 16945.18525 539.1115888 13466.80846 4.07813e-08 (2-oxoethoxy)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 1855.691109 1413.116144 794.0891203 1981.371231 891.4974247 1175.345192 602.267352 1727.806014 1483.672435 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 711.4738929 1149.13626 1317.745076 410.1108548 1874.439686 782.2130591 1294.299156 668.7487773 1173.721115 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1657.764848 4.07813e-08 1614.262034 4.07813e-08 Furamizole 341.5640835 360.0426626 502.7682847 172.5599747 563.3611975 829.892063 399.4359886 92.21580979 330.33176 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1125.381351 1320.525636 1609.536174 2449.909027 2031.431078 2356.548035 888.6624895 421.3636367 746.9104436 4.07813e-08 4.07813e-08 4.07813e-08 2.108325922 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1372.071415 712.142763 1739.520965 1027.81515 2612.894849 2386.642225 2401.316239 516.0939256 609.7763497 2171.038236 1412.609355 1152.012147 1037.288421 1607.177936 532.2234789 1235.808577 285.3755306 391.1500999 OKOOA-PG 4.07813e-08 3917.511809 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 803.6540458 1414.052451 284.8751578 38690.86241 30126.65101 17375.58949 34673.27523 12083.61521 25991.5121 8035.132593 18231.36635 23903.71422 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30099.63376 33166.51433 15162.64808 34302.20628 25992.30813 21272.74799 36127.94916 12360.87472 13295.11104 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 169.8477087 4.07813e-08 1583.404609 5192.09026 33387.60299 482.1707154 23581.07581 4.07813e-08 5-hydroxy saxagliptin 4794.768308 8336.402522 3300.362432 4701.856633 2089.619054 4862.386282 4355.559522 4710.687319 8045.94233 857.3957284 1009.392154 2455.275143 856.3531683 1005.427284 923.9480498 325.5771635 324.1217002 536.3263099 1377.184746 1553.402006 1689.476865 1155.275841 998.8140142 2139.714371 1437.579255 1183.070514 1603.492586 1500.274125 252.796382 239.1720836 422.9704633 715.0545658 543.6066301 118.7053833 390.4821344 358.4273878 1245.171502 2260.891009 2164.120929 2584.673465 1710.2137 1370.146933 2370.186294 975.3257732 1325.391311 1867.454407 8721.934122 4749.899409 7265.89264 10080.95823 317.9323692 4406.090135 1395.769176 4813.483304 10-Deoxygeniposidic acid 2040.864868 1550.420561 2224.407711 2809.201178 2119.292447 2433.929677 2974.929647 3296.82762 2202.211654 2107.828796 1399.910286 1475.633303 2374.381875 830.9811385 751.6362283 350.3411391 797.7787974 1416.959269 2581.605943 2551.253028 1701.275906 1691.017326 2459.71662 1925.982043 1938.249538 1215.340831 1708.835939 1446.297243 1417.621995 980.7321916 660.0793011 1813.051887 1422.576862 1104.909217 478.3218886 721.6201777 1983.378992 1644.869532 1759.636826 1327.889836 1637.764294 2542.544483 1470.393341 2624.395797 1839.51165 1153.741671 1842.137376 2205.798494 2052.648869 2596.02851 1732.847035 2211.026869 1928.665222 2389.998192 gibberellin A2 O-beta-D-glucoside 4.07813e-08 2595.62572 4.07813e-08 136.1671059 4.07813e-08 4.07813e-08 4.07813e-08 492.2639541 401.6108147 40092.43528 28026.95908 27668.04833 41306.5617 22016.84841 35599.46139 16202.62027 16844.18298 55860.42121 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.077047271 4.07813e-08 1.17845674 134.7965265 3.516056116 33592.87608 38738.59931 22058.36207 23184.21364 35807.48198 27561.62599 43776.97087 12296.5666 20469.62577 774.1095925 11.60114842 104.038098 4.07813e-08 14.32409952 2.382004097 15.79245642 278.7123819 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1491.358961 2814.325758 40185.34086 301.0512697 29115.3195 1053.243344 FAD 13227.17668 21192.41549 32082.79459 30876.35941 30987.05014 43223.67647 22664.21019 48618.81392 34035.08715 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 214.4416224 4.07813e-08 4.07813e-08 13167.3917 20813.99592 33075.1811 14449.86076 58162.92479 37760.74178 29051.09338 7402.339226 26975.01097 4.07813e-08 4.07813e-08 4.07813e-08 213.0585548 4.07813e-08 4.07813e-08 236.4778022 207.7888692 444.3998734 3644.669608 11961.59884 21420.10543 47158.09108 12370.38636 32309.71191 33579.03831 8604.388507 2373.597278 40412.08896 12297.10283 23928.2823 27390.83195 36911.0704 4.07813e-08 32988.50393 1772.126171 28838.29244 2-O-Benzoyl-D-glucose 0.583292939 21.3618265 4.07813e-08 1.447722558 4.07813e-08 4.07813e-08 4.07813e-08 0.721606224 0.940391671 1958.722745 1157.271324 1611.112603 1506.947107 1085.916536 863.2873711 892.6662958 358.3045932 1311.658323 38.46945192 52.73924198 49.16666498 4.07813e-08 12.94428533 4.789857975 1.034399681 43.91552096 3.136650317 1335.630508 1634.140356 1171.444406 1316.59166 481.041981 1199.047827 1604.963747 1637.893869 2175.853239 93.86660415 12.92470285 0.553359578 9.638799292 14.04883117 12.72503189 4.07813e-08 1.468328866 0.539553491 0.508505965 0.618719916 1.626527644 63.91771657 103.936105 1561.723794 0.609254425 632.0976552 13.24114943 2,6-Dimethoxyphenol 389.8908261 528.3683422 572.9580725 542.3521665 531.3038324 501.5584729 550.3188721 590.2373401 373.4206272 281.4904039 277.1646134 259.2672309 196.896008 173.687054 250.2550112 128.3449308 132.1444474 314.846737 840.6905311 770.8176231 791.6366802 650.6355836 737.6287698 677.6919005 694.41167 1015.076426 956.3082297 71.8067457 313.56977 262.2758945 346.4470799 306.4180805 263.664615 260.383094 177.2225776 355.4075147 827.1099229 570.2377532 741.8736868 582.6626583 559.6582336 689.1815925 576.0815836 942.4138039 585.9908006 964.8339946 759.256761 503.9283192 747.5388205 866.6246709 264.6462362 685.0009368 145.6900191 624.0618951 3-(4'-Methylthio)butylmalic acid 742.2420669 786.4405461 1007.559643 823.2576682 1208.663701 770.9337168 962.2033546 713.0136143 1181.907174 795.4357358 750.8665412 264.8392847 905.7891665 175.3549007 225.0341778 37.2186564 68.9888509 246.8605562 1515.039964 1561.527072 1455.183694 691.6413679 1852.648847 1874.838171 942.817567 1494.433675 1801.693712 118.7615958 183.0799799 146.9807403 7.688590732 231.3446794 35.03128634 235.9096772 124.0025637 308.8239698 789.1370604 963.3784002 1130.359808 1535.272536 1061.217886 1581.485948 918.6967926 1218.402566 2034.879284 1244.382528 669.8072112 965.0474543 1074.837457 923.98158 307.4175601 1115.055425 114.7958347 1092.849569 Felbamate 2244.61948 2676.696875 3575.329365 3768.818916 4625.299549 2792.821326 2472.29632 2098.074557 1801.107345 1751.724398 1880.560061 2515.801613 1867.807238 2361.770503 1365.42316 1626.912979 1378.738075 1666.306157 3277.093474 4321.912308 3651.356356 2687.551236 5022.842283 3549.514376 3215.520681 4038.156777 4275.062415 1577.306345 1590.698432 2339.684546 1488.941381 2620.041849 2284.576382 1482.454967 819.8303991 1905.601686 2486.984597 2602.771132 3225.510718 3265.077968 2994.190062 5291.548946 3504.911768 3453.148219 3595.495782 3732.722513 4222.897842 3456.807342 3688.142088 3636.653371 2137.700761 4224.93548 1851.841745 4222.292878 2,4,6-Triethyl-1,3,5-trioxane 675.1467784 647.1875821 1072.64259 762.0920207 683.2756613 497.9439785 869.669869 713.6079533 509.055331 99.37636344 4.07813e-08 111.8574953 56.26374625 4.07813e-08 44.19049031 90.64332725 4.07813e-08 26.97002864 1535.017269 933.9602539 1010.837084 919.6483071 359.5077132 1455.602099 648.8014484 1539.191244 1560.621196 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 62.87574896 62.96379984 4.07813e-08 95.89128904 238.479375 4.07813e-08 687.3061625 287.5447864 1395.118683 376.2441148 404.7267583 1211.941998 1854.036584 577.761789 926.3773084 549.8444903 700.3181837 800.8972132 668.246252 187.9362317 827.1789061 4.07813e-08 529.4270389 2-(4-Methyl-5-thiazolyl)ethyl propionate 1772.822528 1588.523667 1635.288663 1821.330587 2300.080729 1452.967918 1802.395561 2134.376714 1920.780985 786.9648662 720.7236917 908.2323365 682.575091 629.4039823 428.573221 254.6929008 487.2413401 640.493734 5363.238313 5289.943997 4027.277248 3427.961592 4137.992003 4411.300614 3793.464235 4855.81581 4818.877416 1083.546546 1225.913024 394.4485125 658.4185899 1297.484743 892.2720282 1262.19824 507.4547409 379.5613306 2879.554404 3631.859839 3095.62037 3831.728096 4401.219483 4695.226088 4741.21028 5305.14319 6965.35946 2698.11822 2079.105478 2967.98787 3053.778336 2563.214475 1382.062269 3181.572038 518.3058286 3841.537038 PS(13:0/18:4(6Z,9Z,12Z,15Z)) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1406.270587 2219.548452 4946.868713 1609.860825 6625.85425 2820.047275 351.784307 5866.410551 5334.792953 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2031.901573 3716.464771 4877.628353 986.079229 11340.89032 3072.642417 1528.642125 1810.443299 4311.071019 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9035.174336 4.07813e-08 4.07813e-08 4.07813e-08 2-(5'-Methylthio)pentylmalic acid 1140.58583 921.835712 1134.512769 1351.758869 1113.370167 1005.388875 1086.014765 575.5035345 1026.564303 1061.747601 1306.019292 604.5718397 781.2752011 760.404538 675.0061491 394.4495046 252.6846906 603.6683073 1458.752686 2002.701328 1794.613783 1493.975096 2192.858418 822.475221 1241.448549 799.0661017 1478.340646 294.2934768 720.5131755 1069.578735 348.4543718 628.9690106 446.0579719 930.9977966 614.1688876 676.1681154 970.5670429 900.7556326 1031.006543 1375.425152 1362.261075 2169.045427 788.9727073 881.1854715 1715.796312 1215.891386 1534.133471 1204.998757 1395.640014 1210.879222 971.5399892 1241.263059 470.3929704 1169.175307 Maleylacetoacetic acid 1018.386475 818.6861255 1113.061246 1213.395091 1252.833268 1110.745516 1017.776194 1000.401314 776.0022199 284.31159 241.5406744 331.8110055 297.3891657 200.3959308 323.4653072 158.4577063 200.7619776 256.2079703 1161.765344 1264.587951 1383.974379 1451.144375 1760.113719 1399.369397 1594.226434 1669.219732 2148.620229 261.5680549 346.0270324 216.1478735 136.1908338 146.717279 573.2703037 424.1626039 242.4534802 350.7016278 977.9423682 947.3599203 970.7930907 1445.500777 1411.421492 1753.120496 1229.772589 1624.475255 1685.178227 1186.263058 1056.324495 1299.492425 1251.019024 1335.106901 394.158944 1268.017403 193.2193229 1606.253512 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate 3037.916612 3224.975747 3724.469032 3251.51205 3744.803932 3313.502615 3392.358013 2798.502638 2541.742359 593.1027662 708.0932395 814.6776958 936.1134436 1007.956592 1059.419545 725.6339126 343.0395188 1053.514381 5288.595046 5648.681357 5968.072166 4669.858373 6098.463773 5907.203316 5426.726356 5247.484752 6151.415655 819.9720834 936.682842 1049.82507 886.5010384 1164.667196 534.4664897 1147.224706 439.0075035 1443.89899 3581.692711 4575.860962 4491.874322 4964.573089 5611.279277 5233.112172 5154.346768 5281.484966 6723.224 6560.218381 4022.183901 4016.903073 4161.238267 4215.045924 918.4555202 4404.016972 670.7138295 3988.955964 2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite 1374.938784 750.9794078 1428.896256 1365.02475 1251.810086 1235.423922 2161.810207 2107.067571 1223.804875 49.09447908 52.27431154 4.07813e-08 40.99088066 154.4568982 93.12187066 4.07813e-08 57.22544349 134.797514 2174.963206 4638.705197 693.2479129 1923.350252 5031.302816 5632.496421 4082.343118 2387.922451 4806.985172 94.5751465 43.28960218 134.5376185 136.6746042 37.1175922 208.102137 4.07813e-08 42.34570422 130.2540147 2503.840322 2324.495844 1440.924165 1869.911009 2376.375043 3424.859328 5501.945979 2326.914792 2947.469249 3819.222274 3191.838019 1874.625458 1154.939081 944.4249662 131.2533969 1382.615243 43.94769867 3554.86704 Assafoetidin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 993.6705303 4.07813e-08 4973.569618 835.093442 1580.663639 2292.648693 1377.768152 3045.958501 663.5749118 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6671.658233 3174.579425 1245.532994 8542.310567 426.6454098 4.07813e-08 534.5871478 4677.477667 2202.689848 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 639.3760058 4.07813e-08 9329.439729 4.07813e-08 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside 4.07813e-08 1391.230159 4.07813e-08 373.540936 127.7479431 4.07813e-08 242.2028019 222.3803095 267.5077442 9462.266413 9889.312112 11161.6125 7866.404243 10469.16977 14354.32922 9974.590428 1704.329718 8621.176267 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 117.7550112 4.07813e-08 196.7602987 4.07813e-08 4.07813e-08 17662.43075 3971.386917 5731.843584 8180.441984 1619.357146 6984.600806 3689.339621 9410.752669 13430.6828 642.2466655 193.4775432 191.4741652 94.96548368 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 238.7412649 4.07813e-08 4.07813e-08 4.07813e-08 316.2227113 4.07813e-08 4.07813e-08 4.07813e-08 4645.447278 4.07813e-08 3-Isopropylcatechol 1139.878214 693.187254 802.8297006 861.8516956 1114.284125 1286.954155 1412.601482 986.4414972 766.1102319 393.9439146 151.1658349 269.4990378 293.5832336 446.6963823 216.5003909 365.2947917 349.6553158 818.2603036 1350.905107 1379.861115 1082.170878 1164.698623 1088.947734 1258.369491 1187.372769 1243.620116 1247.43358 207.2175231 539.4002118 392.2461931 402.0831245 337.3657858 167.0470653 202.6657853 532.4455129 614.5653385 1155.141761 1095.058049 974.3231175 1125.995088 1700.616117 1095.060587 1604.439995 1202.068803 1343.69365 1287.242273 782.7607412 1029.403556 902.92337 1117.340774 290.4828995 837.9121629 196.4397189 1282.847615 DIBENZOTHIOPHENE 3041.396055 1780.002649 2678.784508 1951.2817 3014.032504 2808.095319 2269.937789 3146.001147 2830.126832 46.36721295 50.14297109 52.14733248 80.9952353 47.93936859 4.07813e-08 4.07813e-08 4.07813e-08 54.39178805 4860.970058 5224.486369 4904.434177 4847.669144 5397.18842 5287.866862 5115.771847 6034.183722 6356.975962 90.61884962 158.2660834 4.07813e-08 96.30633649 79.55982279 4.07813e-08 47.98527927 4.07813e-08 48.19259009 3255.571562 4394.044923 3661.541615 4840.590095 4918.524716 5061.945863 5908.83414 5930.92907 6908.113671 4448.943603 3322.914326 3491.666288 2734.814366 2605.223958 64.68676953 3495.449187 48.48426881 3570.691171 Sinapoyltartronate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16474.84354 12544.00596 1017.205765 17823.91314 571.1073518 10728.11597 4.07813e-08 11175.12452 8235.318493 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18643.24295 15032.91034 841.4973727 15821.42214 16697.68789 5976.967737 17354.51685 2345.834768 1778.38364 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14641.73287 4.07813e-08 18198.14799 4.07813e-08 PS(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 4.07813e-08 2529.604488 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1038.698468 19905.88199 27481.29089 17581.05769 56072.53028 29973.26791 2253.862419 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22311.01872 594.8206153 4.07813e-08 4.07813e-08 4.07813e-08 17995.20781 1373.472485 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5144.800418 289.5257963 4435.562146 26022.66694 7489.640181 232.5881302 98631.35146 3774.60254 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone 447.8190282 352.0218663 139.9771679 145.7852028 61.60826301 4.07813e-08 377.5383415 1246.568915 242.1222485 1162.574813 1460.932817 820.1159094 1251.366682 734.2526685 1116.683058 393.5466926 705.1788334 1013.634772 525.2561367 204.8009468 201.3245603 217.992388 148.1813011 285.4394257 501.7619709 506.6347129 182.1395524 552.0596613 1224.687528 914.7455447 613.218375 1847.370993 1002.855176 1066.28402 184.8710075 695.5737224 402.0462947 125.9182483 201.6903959 131.0040458 151.771198 911.8101936 4.07813e-08 4.07813e-08 242.7732229 88.28494826 73.07669798 4.07813e-08 134.0070944 454.9123849 1465.924647 71.71659341 1127.495832 156.7878622 Thiamylal 4.07813e-08 177.2305846 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 158.2362982 201.3096743 5160.651449 4743.175743 2690.71425 5660.949033 3084.540537 2172.718139 2055.868442 3809.926241 5446.524744 23.70282251 3.893364706 10.18869044 8.690766337 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14.640482 1924.640259 2861.257509 4995.862909 1938.745455 4800.041333 2153.793213 1938.464045 779.455753 4385.987876 4.07813e-08 5.705173125 4.07813e-08 14.82453506 4.07813e-08 21.57045084 4.07813e-08 4.07813e-08 17.42323931 4.07813e-08 435.759211 4.07813e-08 4.07813e-08 644.0270794 3739.740298 20.29220835 3881.372996 4.82873568 2-[(Isopropylthio)methyl]furan 1454.899013 1464.707484 1459.654797 2003.601658 2879.093019 1502.932343 1609.280999 2754.78114 1917.832737 1402.606865 2708.689163 1564.82982 1370.900795 1551.394489 1305.057169 783.8152784 1291.377496 4198.219595 3105.633567 3031.137277 3473.881367 2430.5977 3310.21008 3496.581227 2684.265041 2507.915442 3713.080187 1403.777611 1180.504239 1409.020279 1386.450738 1362.188444 1324.253027 1599.85109 563.0028147 1201.877067 1963.010061 1980.354995 2211.449398 3074.796372 2319.039462 3568.196995 2193.111339 2599.34399 2842.969706 1520.782542 2302.095408 1825.458037 3108.527218 2042.410641 2169.486098 2970.906789 1589.4985 2893.542224 Cyanthoate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11447.95159 33170.79215 16431.32814 11270.03586 25204.95835 2339.907186 9178.383987 1932.702014 15243.9716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1081.685754 376.47165 42.27570881 8313.760169 8566.446176 914.7200804 8540.967233 202.588857 4.07813e-08 4.07813e-08 6895.217841 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 820.9300738 1636.23734 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2030.991795 4.07813e-08 11220.82563 4.07813e-08 2,3-Diketo-13,14-dihydro-PGF1a 1571.85067 2322.390758 3538.774766 6753.747975 7548.284403 1070.788181 4030.710956 9552.256604 6760.521352 660.5397564 851.8856452 1944.487643 562.5880331 565.3834111 162.0492302 1083.536132 3084.323423 535.900568 7473.051403 4303.126306 9838.414908 9726.01242 11175.44504 6889.166614 7760.713623 5947.286959 5464.518073 621.557719 515.6689132 2708.467749 574.1717919 796.9436052 312.8210913 1102.03807 1052.368974 693.6661133 3579.95183 2310.000777 5746.056881 2795.397526 12512.8472 9319.174849 6394.150152 7177.823329 10121.41733 6766.526104 18999.33038 8047.122117 3587.518203 7078.793031 4068.428237 4894.365321 2311.060435 4403.900078 ACEPHATE 507.156825 224.602327 116.4936352 382.3882761 327.8173784 192.1346483 395.2154687 418.998729 476.4886079 176.6877277 285.7541414 217.6871744 464.1210006 225.4669875 147.9779296 332.4172935 89.3128268 138.1762165 248.8945021 233.7174588 292.6773567 121.9656125 50.59023664 210.6614157 260.0227908 162.4626677 100.8024864 460.6970307 523.55871 224.0530327 395.2150498 178.795698 261.975088 308.9452443 351.1816314 152.740815 206.7176698 87.10463738 170.827362 227.9178374 331.0120541 268.9810123 56.92488609 378.1692113 230.1300099 66.98011784 300.8495179 51.5313758 4.07813e-08 304.7539035 112797.3121 127.1422561 23056.06511 213.1707763 Hydroxymethoxyphenylcarboxylic acid-O-sulphate 11423.24725 11811.80727 9424.181678 10302.94941 7046.511173 3871.466124 15248.43424 8576.352924 4190.598646 2313.184458 2409.602629 2671.328168 3210.683156 843.7807798 112.2433838 1031.149433 838.6328542 1033.352443 3665.790764 2073.891474 6571.884874 29491.81693 641.2909509 76.63198161 12765.36287 33463.10091 3810.339303 2486.850158 2633.843295 1779.933629 2322.701965 2891.319165 5163.999696 231.3990326 1283.098909 2517.009559 41648.65219 4734.954479 15262.9673 1556.972022 15749.4953 9103.907583 166.2259999 21156.69555 29629.57196 487.764898 712.0111684 6614.726636 7724.855285 13847.04889 2164.522461 3039.563589 2051.138029 2134.166491 5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan 1328.162971 6994.017921 2915.784021 8578.914278 5790.942933 2717.236608 6208.58424 6544.478182 4035.534375 10821.96467 5454.955495 7426.482136 12100.98932 9016.749808 7725.700661 4572.334509 9123.094237 14521.35289 1039.42824 1859.773268 2033.011844 4018.637678 1204.806266 934.9120518 3077.321181 1265.157027 1245.955066 6188.215038 8692.095809 10140.80098 8641.873745 10937.21775 8468.798981 10472.05114 7708.596763 9675.829511 13505.5884 1781.189938 2204.076484 1082.569046 1508.91159 2081.053973 713.8173281 1195.248051 3478.912738 448.4137321 1424.079261 2814.800581 4792.27644 5915.890926 13492.57383 3846.959364 8554.437295 5806.569798 2-Oxo-6-methylthiohexanoic acid 2694.14489 1289.698199 1926.293559 1129.481653 1040.64365 1345.511253 1867.354217 1131.138463 1326.982671 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3105.419019 4052.781595 2404.518963 2319.45452 2660.306627 2475.750996 2804.238736 1003.516047 813.8562081 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1552.084443 2481.322122 1269.799489 2205.242863 3299.015253 1818.710399 2042.935967 551.5497208 4280.364153 1814.921792 1433.024406 2658.751384 1668.183606 1417.185174 4.07813e-08 2636.810622 4.07813e-08 1611.683751 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene 304.4205612 3039.397318 760.8342853 1522.734236 1183.123739 543.3765735 1952.33408 2325.437898 1479.243634 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 153.3781664 155.6568529 248.0553974 4.07813e-08 4.07813e-08 477.2528212 146.5553645 701.4342149 275.6892079 106.8251601 257.7393905 514.2311943 765.8980064 622.5473762 382.2493901 37.95483105 4.07813e-08 4.07813e-08 43.10964946 4.07813e-08 59.38787924 240.5633979 4.07813e-08 727.1804263 205.0815506 436.6804912 129.3768694 566.9911827 239.4564963 384.5383673 1033.971886 142.5963078 794.08505 463.6383079 900.8081944 1058.326964 1765.210181 4.07813e-08 971.5658615 4.07813e-08 2280.955636 Diflufenican 208.0364378 61.10975395 4.07813e-08 4.07813e-08 58.10516193 233.0820639 224.3153403 114.240324 4.07813e-08 514.7929247 49.37763904 467.6228801 584.896648 454.8764375 640.6298862 576.9951426 2676.843593 640.5279371 52.86426496 266.2971019 59.99432798 4.07813e-08 4.07813e-08 4.07813e-08 233.6655971 60.17185755 209.4157487 302.3087454 632.84054 426.3676706 935.0843543 720.6351649 805.5782645 1385.269323 1429.631856 1930.174669 301.3220115 285.3095459 57.07324109 50.10076942 129.3015198 4.07813e-08 49.00031641 4.07813e-08 350.169438 4.07813e-08 100.1399605 56.45494763 39.75467371 45.50206262 26876.51413 44.16961819 16084.51389 118.732532 4-methyl-n-(2-oxo-2,5,6,7-tetrahydro-1h-cyclopenta[b]pyridin-4-yl)benzenesulfonamide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2571.626735 9855.879275 1354.724124 1457.506686 2297.452759 533.3010336 1004.030395 317.626878 1836.782644 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 601.5634573 1475.77055 1797.821547 4.07813e-08 4999.695215 4.07813e-08 280.9818118 178.8814197 696.7704005 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2026.613135 4.07813e-08 1167.571466 4.07813e-08 Isopetasoside 2432.586573 1576.762689 1999.179276 1129.672846 1765.658372 1496.774968 2996.165977 3289.808708 2839.964127 221.2785549 228.3279831 20.9863257 596.5699185 1.614052583 778.0260037 4.07813e-08 72.89430775 139.8555514 8084.037657 9848.373407 8504.095959 6444.211202 10170.3352 9124.022575 10180.41693 7906.710991 8817.674175 1087.242804 360.3276989 337.1846992 251.007407 777.4018725 373.1610339 584.8514095 71.35832128 625.9918708 4684.880353 5800.118543 6271.959642 11673.29934 9736.242905 10825.19495 7926.557682 6579.35866 12599.24553 5227.946681 6664.390604 6631.596437 5455.997672 4450.53615 2117.280492 5432.867891 1287.557255 5173.716992 Cyanidin 3-(6''-caffeylglucoside)-5-(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 26195.02815 19828.3948 360.8838263 25136.75888 4.07813e-08 22066.58236 4.07813e-08 22766.7667 32268.9937 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33595.72225 24739.43789 4.07813e-08 29276.06036 24520.09425 12323.80605 31376.77452 3404.041273 1029.992821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25667.88845 4.07813e-08 37087.7687 4.07813e-08 PIM1(18:0/18:1(9Z)) 15139.34606 8367.582929 15926.22363 25510.88738 26573.5624 20103.63651 20301.8327 16311.39083 8373.462037 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41147.07901 35204.62521 30969.50872 33822.21922 34801.95294 39903.76777 29917.56678 38374.25224 31063.07166 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.183670194 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8267.38623 22063.77254 22498.4609 38971.75104 34758.05673 38770.66245 43143.0119 32717.58025 31120.77364 35602.27344 24971.22015 21716.67003 18450.71685 15853.75974 4.07813e-08 25734.1341 4.07813e-08 33119.68471 [4-(4-methyl-3-oxopentyl)phenyl]oxidanesulfonic acid 4.07813e-08 513.9233567 4.07813e-08 4.07813e-08 4.07813e-08 285.347206 4.07813e-08 4.07813e-08 312.8985878 2465.420638 2489.853206 9062.093461 2446.865167 8679.847577 2749.851605 4747.747466 6705.941875 8628.085668 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2427.348074 4778.241435 20866.5449 2932.923467 4827.911421 5645.735545 4624.627566 8869.336461 10913.70317 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 967.5411395 262.6639292 593.5505278 555.6821621 7246.267849 421.5706889 5716.8856 715.2055223 MEPHENESIN 760.3717828 776.9522721 895.8174243 1226.605491 808.8310619 593.9147054 767.2270345 895.1680975 861.4092621 504.1643916 646.8786174 561.2236218 607.9097707 358.4787157 524.4129518 656.3300336 730.029102 630.3640861 532.6444878 634.3492371 539.6694943 866.2866362 999.4552185 423.9681984 928.1721091 810.7507489 821.1680821 388.5624189 563.5000847 762.1661264 591.2435952 272.6389158 463.5485345 538.7297263 4390.147284 721.5802039 989.0568571 706.8107558 619.4424943 857.4468214 791.7886383 947.0078015 881.9208428 808.1436692 1084.751667 968.5012198 676.1965649 763.3332406 918.1348671 964.3685155 304.580124 369.0362009 539.6219952 666.1037815 2,7-Dipropyl-1,6-dioxaspiro[4.4]nonane 639.683949 334.1408116 807.3729953 601.2185541 1167.448082 1553.100062 641.7644524 633.8988673 394.3120306 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 71.86717899 62.85129068 4.07813e-08 1478.085397 1180.210768 1382.160671 1101.755004 1711.878527 1997.812791 1097.959261 816.8764281 733.6940453 66.39733023 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 79.6097137 4.07813e-08 366.3500669 168.2134338 646.2835865 717.6428974 658.2333583 1165.086426 1290.771274 1395.442508 1694.283573 767.5329749 701.47763 1020.861588 667.1140944 774.7002213 477.3884506 672.8665887 70.40645321 559.0503126 128.0749661 953.3316216 3-Epiecdysone 4051.237246 3443.1628 4247.626375 3946.34065 5584.276811 4552.574803 3603.884645 4021.522721 3138.875874 15111.28536 2569.896755 3542.632527 14876.20693 226.777315 19909.91616 347.9651701 4.07813e-08 27768.63507 357.2994518 1445.340518 754.225633 2078.177173 2945.42656 2286.560855 716.5446841 340.2165932 1649.244867 4.07813e-08 3228.100027 8853.615075 807.7430685 209.0743417 7065.199569 1802.903384 4.07813e-08 8195.664186 349.041497 669.5318666 630.7769256 2635.732382 1412.833273 1555.877122 1905.108776 4.07813e-08 1598.010077 2387.79613 477.7660657 4.07813e-08 4.07813e-08 4.07813e-08 7710.945236 4.07813e-08 4292.225868 1204.552808 Levobunolol sulfate 6363.704578 4085.63089 6172.039511 4413.377929 2092.176028 9131.571096 2463.681677 43505.20421 29729.81382 7765.096882 5916.709238 4.07813e-08 7526.576694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13794.37549 77.81079897 4.07813e-08 3734.991241 120.1098707 4.07813e-08 4.07813e-08 2047.840549 4.07813e-08 4.07813e-08 10552.47459 19918.28799 6779.610919 13413.12294 14643.09708 6354.494011 11344.7634 6968.225017 17178.30969 7704.177444 243.9859715 1287.754387 958.5083185 4.07813e-08 501.2299417 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3530.347472 1725.405773 20159.8819 17115.47155 31697.66928 3928.267127 18432.4265 3487.399413 7a-Hydroxydehydroepiandrosterone 3499.606793 2145.923428 7998.338785 8183.201125 15075.30504 3064.014731 5014.523763 13071.153 18122.36679 95.15931355 298.8527518 187.2702078 321.2248583 4.07813e-08 257.8407395 174.2934863 286.1566519 4.07813e-08 7326.18229 5952.065554 9611.130256 10540.37607 9431.716944 7364.243229 8302.972929 8715.312526 5701.988558 241.6442586 4.07813e-08 427.2503594 94.71094289 336.5701586 426.7509052 417.4584916 137.3615589 110.7977245 4756.832624 4444.974738 7023.246125 5051.699181 9673.671707 8620.465478 5867.221961 7664.423231 10744.55262 7786.631677 10479.46537 10389.78227 4493.684602 3970.308152 1571.671086 6312.03267 4.07813e-08 6136.407399 Geranyl hexanoate 2910.83513 207.6655801 1019.392546 1556.131923 1345.873277 4420.629377 310.3094058 78.34971958 1992.460575 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5068.693826 3685.04681 1675.813544 4649.519625 4286.142085 5937.353034 1233.633408 4.07813e-08 667.4825093 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 61.96181889 4.07813e-08 4.07813e-08 4662.051737 4809.79053 2753.70641 1694.300304 5365.383797 4614.437671 6030.218332 4.07813e-08 4.07813e-08 1850.425886 3495.49744 5460.042633 2775.13674 821.9749964 4.07813e-08 3176.458855 4.07813e-08 1032.116822 Indole-3-acetaldehyde oxime 1674.269239 640.3623099 1618.599593 2137.527526 2408.765442 1537.442927 1519.946965 1286.102897 989.0529339 241.2997911 499.4845673 4.07813e-08 92.87305129 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 215.6676811 2048.937095 2535.754006 1844.355102 1887.751102 3477.967573 2891.547332 2040.050586 2140.227246 2297.341436 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 116.0034737 4.07813e-08 4.07813e-08 133.0970521 1136.075559 1962.630249 1301.69572 2015.962111 1898.445104 1994.576898 1686.832827 1669.143207 2609.789058 2336.987562 1244.061625 2032.08846 1721.989127 702.3825093 225.7230478 1817.720015 4.07813e-08 1325.870037 xi-Dihydro-5-octyl-2(3H)-furanone 6470.898088 2986.252987 4291.562512 4519.961625 5335.093132 6914.329026 2715.256388 2717.482677 3209.779269 427.8661347 430.5121928 605.8756785 1236.810091 717.1031561 217.9825798 518.0142933 4.07813e-08 1037.190373 4009.311067 2744.010555 2472.411855 2641.914689 2625.745329 4043.746558 2659.212365 1517.444342 2149.844203 4.07813e-08 1203.724043 1208.448229 2086.134562 359.0437827 640.2543059 451.3002925 4.07813e-08 1854.787097 3918.25747 3299.591947 3619.999287 2004.779173 2368.496316 3144.876402 3932.356632 1970.214006 1731.636843 3398.190042 4056.91237 3293.557159 2839.101223 2996.743737 479.7126866 3663.204682 694.9846324 2905.191735 methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate 18837.54792 15429.43178 16001.81467 16160.87547 17218.94879 19786.85159 18526.65832 16490.09766 15008.00016 5769.593811 5861.50312 3108.184514 6494.514692 2503.16476 3486.558307 3938.512743 4690.444183 3776.008083 27943.78626 29608.25229 24310.85153 26960.94444 32950.95497 31778.31543 25894.54389 26964.94585 26331.26773 3173.028987 4135.5303 3265.570403 2960.956315 5269.001347 3099.458391 4555.939448 2012.31075 1383.312487 20622.42464 28020.1513 21839.72393 24935.23573 32139.9575 28864.00081 30687.98898 25160.42822 37474.85529 21119.36769 17832.03944 20105.50088 15839.54493 14339.8204 6078.47579 21907.04357 4845.457848 22437.62941 19-hydroxyandrost-4-ene-3,17-dione 3158.725611 2769.479176 3555.798805 4278.398967 4630.783429 4522.09091 3591.825494 6178.494047 5041.082644 318.8693209 652.1949695 577.064531 357.6038969 409.6953945 433.6436761 1110.16325 4.07813e-08 666.0060479 7104.882834 7782.870518 6354.614509 6499.433164 8782.208913 7142.981024 6597.333931 8579.045862 6546.304975 100.5851162 512.0551758 2970.791448 4.07813e-08 1025.965594 305.4030865 920.7610886 2948.209531 4.07813e-08 4650.417631 6764.432686 5885.860424 6157.562762 6250.113701 7240.977329 7477.500076 7224.36876 10455.56092 4956.935162 4411.20721 5860.668894 4777.735115 4077.026215 1355.346055 5592.217394 1257.978596 5229.918607 Lysergic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 125.9586105 4.07813e-08 3672.48828 3362.606056 2584.341408 2926.176718 5317.070636 3902.583488 3414.076376 8438.061888 4446.350015 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.540622381 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3097.53168 2189.189651 3542.1865 1750.407996 4361.213811 1774.385981 3254.273854 3446.961906 4611.316275 86.1733655 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 117.0189589 2522.889649 4.07813e-08 1795.986943 112.0624658 2-Methoxy-3-(2-methylpropyl)pyrazine 2409.976384 846.9673303 2355.048403 2592.335778 4538.608563 3032.257443 1083.574562 95.94065849 971.292518 4.07813e-08 4.07813e-08 259.0298957 4.07813e-08 4.07813e-08 96.27747482 4.07813e-08 4.07813e-08 116.403436 2880.032801 3270.71163 2629.351175 2526.518084 7599.529704 2837.228697 2406.724126 216.2675922 822.1758336 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 100.2671072 4.07813e-08 1459.791122 2853.957939 1601.283133 3258.513552 3137.43389 6203.638573 2860.065368 260.6966952 2786.432761 1998.067135 1877.270543 1038.852076 1171.243781 912.8014754 4.07813e-08 2256.25747 4.07813e-08 680.5468897 4-Butyl-5-propylthiazole 2733.903808 5671.723152 6344.507777 4413.58462 19601.89138 3740.811952 1194.760631 1903.019374 613.9938666 7972.684985 7167.6186 4424.843257 8003.568027 4796.273464 9078.941473 4008.650216 3087.510417 3155.948377 1258.434905 908.3030022 1631.875218 2449.757847 2039.477186 895.7237089 1558.169213 2311.370794 1187.710706 2319.033921 4620.444668 4783.493789 2491.415749 3567.942302 6347.981871 8087.585605 5458.311743 2812.838689 3963.319035 602.1286909 1721.416712 745.4589464 680.7709731 2324.469522 1558.567218 2150.480925 4347.139316 297.3995668 216.247394 599.8745155 1752.388657 3137.151518 2504.121711 1218.658072 4140.884359 1845.129979 3-Ethylethcathinone 9812.160011 15018.81387 22773.74646 4990.302481 4046.1193 20582.31998 5398.675269 38896.06237 36216.23034 130.589663 4.07813e-08 4326.086359 4.07813e-08 3732.508743 3416.888143 4.07813e-08 2356.374763 5692.070822 63185.1323 32782.45915 49224.69441 21975.62382 15777.77388 1277.915943 5239.698755 1101.325933 192.3099685 950.0750522 1725.752814 4.07813e-08 780.89307 4.07813e-08 4.07813e-08 2273.750089 1300.749111 4.07813e-08 28910.12898 22217.56515 52078.44322 40543.93533 11616.29127 15811.49146 1677.202188 813.546922 205.6457231 113990.6971 77446.57882 36937.55731 37462.79271 16578.63604 3780.670393 46121.08005 120.7187449 15051.47179 8-Epiisoivangustin 14296.34426 6748.654256 13230.24144 2439.163506 1531.645176 12461.62619 18685.44938 6273.419026 3620.872225 4191.02494 718.3877634 98.54928693 4339.444954 209.2084252 212.7707015 136.9073708 4.07813e-08 173.0686662 1745.667535 2860.833452 1889.304068 3546.080001 4211.096537 6213.848085 9211.236288 1058.168195 1901.93225 4.07813e-08 4.07813e-08 89.14700853 4.07813e-08 74.41614301 4.07813e-08 4.07813e-08 4.07813e-08 93.65585738 3710.699658 3319.735101 2829.084608 2083.651025 3877.891211 3424.207517 6243.353343 1268.314935 781.1317019 1498.856015 1499.542238 3572.506062 2682.826393 1586.691066 217.8600396 1829.365425 4.07813e-08 14402.19085 Testosterone 5958.567364 1789.225808 10379.32488 4436.2156 4535.74377 5371.080899 5898.518438 6011.665054 5478.493196 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2921.729335 1000.51605 1945.080972 2301.141261 1516.621486 2690.672229 3998.799037 7479.550526 9645.502342 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4165.252646 1378.905807 3283.396697 2833.853695 1585.571562 979.0789796 3174.576901 7791.846992 3997.364974 1419.736669 3476.299342 3454.445024 3045.733935 1531.1686 4.07813e-08 2602.854599 4.07813e-08 9986.380332 p-Menth-1-en-9-ol acetate 10542.19523 9542.922463 11011.95758 11217.99487 9836.284882 12730.87689 20306.12778 6570.40695 9394.901631 2010.872516 1552.833872 1173.603002 2397.549167 2615.496705 1312.197205 1766.516118 236.6793528 1924.366712 8915.401548 13694.26517 12059.55094 10250.96512 13817.16046 18289.70514 14564.14545 5202.321422 6166.410265 518.0344869 1339.845454 2100.971125 2235.045817 1349.869996 1832.234579 889.4551616 875.7823076 2250.262455 5705.871701 15238.79853 11548.61402 10008.75758 11380.38888 12553.54041 19079.89605 5721.196771 5847.49165 11324.13591 8327.017439 14974.76227 8582.373462 6056.577435 1646.096033 11954.68478 1164.848725 8598.887163 Ursodeoxycholic acid 3-sulfate 4.07813e-08 8734.279781 2703.575735 10298.26394 13769.69519 44945.05459 23725.31734 22106.12848 77303.74274 5076.251009 534.0550737 13672.84821 5089.252073 4392.604143 6010.872774 13872.15552 497.8166395 145279.3531 4345.508686 11359.24006 11852.91738 22141.66985 6401.553729 1128.180323 15568.6484 16167.71398 4805.118862 4.07813e-08 6657.181386 9041.93632 7812.613883 9056.135881 864.4879035 5933.38335 2058.688378 24520.50592 8722.420666 452.9386957 258.204383 4.07813e-08 10407.12396 2933.238264 510.8120436 7457.952621 1115.618028 1172.671229 149213.4357 53458.70899 26627.56662 22820.61751 403994.4995 41311.16941 150223.3904 51241.55456 2-Ethylethcathinone 41740.69591 34899.29473 40562.94085 10367.3129 8800.546398 38740.50734 10638.37269 56200.29619 47270.31982 7078.599041 5916.480286 51667.23044 7237.349666 48886.29951 51520.19569 16774.67703 176392.9166 34441.00161 12791.93598 16701.493 35827.26637 27429.8145 3919.803284 4.07813e-08 3994.315372 352.8192271 4.07813e-08 50916.67221 82985.97161 10429.34906 37216.75041 32600.22057 7869.806708 46650.87846 84364.60329 17052.41969 44562.27924 6529.882134 37600.60844 14484.92773 8615.742146 8181.10615 124.1449484 335.3376128 4.07813e-08 34294.59357 95142.61683 38395.90127 62367.5563 29582.39003 31608.14557 47550.67507 7274.894725 17203.91918 Indoleamine 326.3226989 4.07813e-08 4.07813e-08 89.76489436 4.07813e-08 665.3900432 544.5228198 267.2199583 91.60109584 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 365.189371 4.07813e-08 4.07813e-08 154.2878855 69.9156644 597.0927164 2836.409252 1150.913268 1031.709261 4.07813e-08 548.7811395 301.9739031 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60.35870609 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3632.619756 576.9955975 1209.36858 387.9774805 2207.489051 131.2365378 1148.796926 469.9241242 86.87100517 170.2401174 851.0514016 1394.476921 413.5975775 4.07813e-08 4.07813e-08 77.48743864 4.07813e-08 1214.662043 Iridodial 6586.761374 6629.956968 7295.597444 5893.354965 6602.738944 6568.38339 6514.044601 6195.131297 5913.050902 5103.476437 4456.57734 5601.061059 5982.935006 6317.395435 4839.999743 5987.627445 5026.63834 6896.973148 5355.658728 4545.924579 4049.399708 5757.857595 4657.355054 4331.947019 4563.207785 5589.445653 5327.662701 3970.341996 5627.16997 5427.925845 5530.454536 6001.989463 4504.121787 4828.137583 5174.162807 6126.174054 5052.95264 6295.283173 5103.441239 4881.975244 5127.420232 5072.365246 5127.448899 5288.508506 5426.50874 5951.483451 6058.812088 5439.587288 5275.153158 5211.299715 4592.396687 5071.434272 5729.579767 7195.436044 3-O-Methyl-L-DOPA 1254.533133 919.1505812 450.8314643 1046.316626 582.1933184 890.431025 622.0208569 654.958628 1139.629688 673.5205726 754.6511916 925.8979664 756.0055958 1104.792771 821.710034 909.6176903 1097.359153 763.1523684 495.4221022 678.213244 506.6295431 798.7452349 747.5482506 694.7242264 593.5128503 527.9090171 525.1221854 727.4288623 615.956267 693.2127431 875.6418638 750.1962712 827.4509496 697.8904688 894.0807314 1033.194813 781.0062192 637.5112859 804.1426502 587.7115427 627.0784049 764.1490207 796.5922397 875.4037766 697.5493845 1067.85076 826.9365762 1160.112807 636.8363605 508.5547538 638.5468668 556.7407544 763.6582479 942.8448376 10-Oxooctadecanoic acid 2599.738727 5225.667825 26064.81075 14870.51169 78665.95727 14470.0433 965.0409237 275.7224304 4.07813e-08 8640.898 3541.28614 790.4753855 8178.343261 265.2822669 17349.82169 576.1586213 4.07813e-08 176.1817141 5087.246367 6139.436319 2927.948768 13378.5212 14128.03458 7727.530463 6124.571799 7270.189555 5586.129291 1483.963753 1800.28219 663.1406294 1902.895941 186.5329033 15990.47524 23363.00949 876.9266889 260.6420292 7344.316612 4238.552609 4049.595001 3344.65463 2953.181309 12529.79676 3731.794588 5853.004079 12957.63543 1178.617679 682.0834954 460.9955072 1756.040864 7360.215415 1874.483585 2855.10955 7911.779935 1163.445492 D-erythro-D-galacto-octitol 13149.10691 11685.35065 5454.232845 11356.63984 2980.804297 7319.711456 8359.116455 8498.63747 36994.28883 35316.0685 53480.62177 57862.7878 35312.07851 39034.16038 43871.84934 42909.84232 27174.0752 22279.6893 2534.64229 1007.991873 5975.574946 1638.63908 2687.288572 567.3043722 3510.346418 1465.146439 514.3506309 41312.95757 48703.1977 23351.34786 43788.78917 25527.3766 34035.98823 55762.798 45716.56921 34741.42974 7524.158645 3847.111837 4528.397319 1192.046165 2051.04415 2184.405402 1001.3921 1054.085586 1146.55346 3603.429796 28133.13763 9553.997526 15417.43053 14061.17823 28362.55866 17527.49128 76431.86886 6106.459176 Methylthiomethyl butyrate 24285.49442 27004.84207 19743.19311 22576.02777 34932.05806 26594.92346 24079.96092 43583.50252 65001.92918 12024.80903 12651.73538 19059.92465 13562.69134 12045.42532 13534.83076 20037.69711 14959.54216 43935.2972 16323.8767 26165.47724 21488.85873 9844.204154 22187.70951 24567.79897 19992.28534 30552.5408 35048.38622 36431.50302 17910.59456 24374.28155 42977.41301 20874.37846 20091.02729 14293.43327 16551.88661 24600.82378 12255.58813 16251.91311 15985.1512 31338.91822 17009.03908 20112.66534 28752.90083 36320.88463 8125.870171 38436.84844 38678.11663 32795.40897 30897.24991 27031.72318 15659.17073 39674.2897 27103.1711 28051.87468 Asparaginyl-Glutamine 2439.228674 3487.966894 874.5717632 2380.734732 703.8342303 1208.290084 3099.986829 4641.067703 6377.196745 2224.012238 3351.719771 1437.169723 1312.027202 297.3024053 1163.946204 1010.882933 291.335519 1386.612983 513.5672771 1448.460384 2202.209192 352.2178143 970.9736294 771.8449979 1203.314843 1617.089678 1382.529698 1820.493342 1239.588945 642.4454565 873.0642619 723.8362657 1449.71532 1891.985715 2118.991981 632.6322692 1301.21682 1271.877862 1828.30818 2164.985635 1438.29275 1038.692964 1138.852484 902.239671 317.739927 745.6676034 2579.917953 1619.847037 1606.251937 1897.48463 982.6065779 898.398719 1435.959231 550.0859983 dUMP 229.5690888 6583.759126 2291.042774 1772.780664 2430.553946 1951.848039 3277.587151 14386.9598 4687.001519 18232.30265 16431.11658 31317.13954 23139.73376 46314.45867 27154.66473 97190.07193 24649.54684 4.07813e-08 19.32766481 2178.842845 23.02041455 932.8138523 1916.771986 1030.636129 542.8969443 4.07813e-08 592.1320608 29526.81306 23541.16024 10665.52306 5335.190777 7978.778407 73846.42942 54011.98334 62092.44896 37975.73015 419.3487064 2.872462648 2131.358168 1086.077654 77.57834402 437.6637676 1.684245878 0.075826179 604.3470572 394.5965875 1071.268691 2036.860597 5360.040037 8486.953063 1031.211185 7101.035272 4.07813e-08 3495.222625 Tetrangulol 254027.006 363397.3133 447625.8929 572286.2057 328259.2855 410251.6506 646928.5668 566240.0621 302675.9341 61306.34594 54746.75302 59108.59502 55506.94325 74546.17919 46358.20972 45185.20911 33003.14058 132234.6889 46205.56119 37041.56324 41339.02287 59402.68251 22876.66825 24513.36414 50183.83402 25006.2667 72656.08278 34641.03084 78490.52083 92873.16871 75765.96855 66058.6064 36103.24675 33324.0417 65631.27258 71968.20845 127078.3837 114261.4575 135072.9219 38159.60031 44824.29044 33803.46642 19759.59959 42174.40909 15673.74656 48625.33946 43998.6631 141157.2921 138707.7642 223301.5568 74248.72684 145498.2439 75714.50401 213529.1401 6-({8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 358233.2488 442469.666 744692.4111 516809.1514 206036.2919 596327.0058 570026.6484 421101.5229 353607.2911 687798.4392 452121.5406 486359.5531 387794.1967 540359.7013 887084.0255 278242.1662 73229.97207 174270.4604 100586.7146 101195.4095 129030.9538 80461.21753 32403.66134 82737.68479 90610.0315 139763.2499 148895.3989 276434.4966 519517.8306 426879.8685 908463.6332 235396.6377 309204.3058 1460161.633 394171.3461 820187.4664 186897.7671 237830.5259 240490.2222 120974.4335 44726.342 51526.37976 57841.09082 173191.5398 54230.46788 167335.0317 125001.0281 265204.2942 163076.4896 182762.0429 285602.6482 173870.3317 1010124.929 323501.6058 7-Desmethylpapaverine 16751.58733 14404.0699 16783.76541 12412.69174 24608.18146 22106.27406 16230.68008 13662.73646 11669.94079 15267.4844 13311.15972 2564.113652 17854.03782 4900.975719 3951.303916 3147.740391 4710.981345 10444.70759 42352.6902 18006.15826 34053.80037 40911.91483 27586.13671 6973.734164 29803.64911 47746.41848 30128.40385 5443.506024 20772.20502 10734.62187 12707.28019 16238.17886 6458.209752 5223.656598 1327.355965 6190.680513 23353.29124 26070.43962 34150.70284 30448.09183 33387.85794 34838.63467 8249.434052 43476.02168 43188.15699 12862.24408 16185.50446 22994.55251 15842.74492 15070.17586 8874.999316 25458.58642 11024.54442 5790.603907 Thidiazuron 163200.7045 103361.2435 179956.4777 158660.5942 151186.9744 138885.6724 152762.3747 151656.2294 125543.0268 86658.22383 42135.00481 73498.92558 57966.62295 78912.00159 92257.83586 62923.62186 66136.8027 7648.021714 74078.96217 33172.28429 49640.22992 88322.01779 92989.6899 27199.94924 63307.44759 15476.74087 56346.35968 74737.4085 58519.86765 26379.15087 51816.0452 10076.77535 85482.34722 136907.2122 116819.7389 40095.56901 70807.91249 67031.55298 77117.11226 75579.4903 120840.1833 41119.49458 21458.16861 22531.32781 29653.88795 27359.00665 31789.25697 63047.91884 97126.21961 121451.0554 18189.15203 43374.78666 10828.98529 65509.07517 Metaproterenol 3-O-sulfate 23327.81772 135381.9129 46345.9932 53628.02234 33780.4181 32063.88483 58147.54488 78260.64661 76280.99378 72345.79728 43443.21613 57803.2847 56648.38248 51258.09696 45532.58656 44214.38731 29056.75968 413699.2362 5318.890358 13217.51603 7525.246679 9401.345727 1889.754494 7244.196996 5075.626126 20478.72439 6094.652599 9246.306836 37079.15206 79464.79337 68133.04476 54600.55276 106656.6741 73599.71907 53383.06696 125736.7894 49383.22527 12408.84182 16432.97374 15373.16623 5607.899212 7348.688455 3024.739759 21353.29468 6304.001822 20450.03718 21910.78488 21018.03724 62941.38185 57008.19002 243822.9841 47872.84773 114362.0451 74943.94254 N-Succinyl-L-citrulline 182.6131159 3.516235412 40.62001193 7.988818625 10.3976717 33.59360039 0.254053077 4.07813e-08 7840.472364 33872.38215 33673.96148 27849.6623 42685.05717 22316.38042 23243.23436 22969.30992 16252.90593 44272.45185 71.96999177 16.90861169 59.18022676 58.47182873 74.09873533 175.4271717 75.94418137 546.9081416 160.9056845 19146.79276 30661.5197 37531.10361 26164.35937 39500.26437 18417.93496 17594.56765 9561.31842 36666.12391 37.37309953 36.74342683 12.32643208 63.43876036 65.04581434 44.60590734 72.46190969 447.1400621 221.5205159 14.14690105 39.76078036 2.733589988 14.90257811 2805.109766 39049.6435 1152.621835 37204.42714 220.3271713 alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose 77577.47671 108954.2677 154749.4619 166657.9727 89548.74559 154600.6696 202077.3899 143344.7368 88820.76183 205514.4456 198219.3005 173013.1353 208254.6831 168312.5161 62749.8185 112424.8191 40483.89679 314566.4611 45960.51006 38459.71286 43382.26821 44499.16907 43464.79993 29852.70049 52715.91421 50233.33922 86728.24269 163055.7318 160566.179 207076.2249 85097.8641 182733.6255 188844.1764 126419.7567 60784.99674 108340.7622 56794.97287 83725.59173 67566.27217 62940.86966 54678.90704 32482.44445 32776.79622 45965.2819 82056.21292 30663.82078 20984.55913 52861.69345 52070.85633 76136.20763 132761.0837 54197.35596 113123.4318 96907.71354 gamma-Glutamylglutamic acid 9210.564164 8230.941458 8710.802617 8114.733661 12649.5775 8922.701082 15446.71531 12929.76699 11104.57298 15616.32866 18526.73646 15806.33283 13787.43859 7306.345024 13176.9616 13766.29881 9839.73233 29926.39817 10140.14465 10265.2556 11438.75007 7245.352008 11810.44443 11530.44308 9553.292249 13891.78048 13039.83612 25941.3994 17514.85434 18577.98431 26593.66471 15587.6344 9640.669529 20013.40227 9278.133673 37173.5978 7114.63654 11506.39608 7945.047084 11748.78917 8044.302293 14492.06972 12676.58301 16061.61644 9829.994638 15805.63678 13131.07054 9144.73588 12632.4299 20193.38706 14872.29848 14087.22143 38994.01312 10473.79504 Serinyl-Serine 3749.707524 6861.837904 3571.306682 3155.098697 2969.935981 4385.292605 3754.531561 9537.628677 18459.50723 14946.40795 19775.71533 21500.11484 15824.89295 15114.34157 15638.34952 23898.12901 17861.63441 17647.93 3397.272371 3713.672757 4274.131888 4259.207932 6808.244995 3548.051539 4006.665849 23106.26149 9158.053128 32324.77001 24067.95617 27986.14436 37201.36811 30246.8874 21177.14785 15601.54162 27110.52719 26765.37947 5688.335555 2652.196452 3140.567455 2928.366788 4308.310942 8918.682355 3673.288343 22497.61232 5965.840457 7136.576393 4034.492848 5305.077554 4648.295046 9865.802673 37933.20767 5096.091072 27586.34413 4654.909756 (R)C(R)S-S-Propylcysteine sulfoxide 329.5428802 212.1977601 4.07813e-08 443.6010649 197.4232184 57.48331463 870.612117 901.6596976 637.2023653 94.93630127 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2131.109791 3397.861312 782.0890777 1089.527049 4692.283223 8234.080374 3569.998534 953.9028591 3142.943774 35.81484681 181.5714201 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1654.697251 1550.9822 734.9767981 1046.797589 1290.552133 2813.43088 7936.63651 2031.784347 3521.796695 3762.916321 3027.284951 663.199439 627.8267486 720.957921 48.75830565 562.802253 4.07813e-08 3155.852586 D-Erythroascorbic acid 1'-a-D-xylopyranoside 7775.692197 8291.133551 8964.623591 9207.6886 13459.56289 9157.875768 6466.645569 9955.475946 7506.104857 8305.554478 5247.005587 2594.368078 7551.608575 1180.87503 2398.019807 1267.876687 3049.336435 10086.52166 12224.54626 10482.49284 12115.76918 10378.06122 15844.55917 11684.53186 11431.78745 11834.71322 13713.15938 3215.046227 2947.860589 2680.964629 1768.157939 3430.464269 3185.596588 2121.058556 1126.6049 2411.082244 9365.440743 8358.565734 8986.042695 11978.69402 11368.61243 16115.08117 11838.80685 12782.90441 10628.05969 10212.38543 8465.47918 9230.071545 11471.48514 10128.59918 5531.590908 11125.57867 3688.626211 12445.21287 4-Hydroxy-4-methyl-2-oxoadipate 15258.43599 11342.19307 15081.82842 17247.72336 19164.85732 18631.3625 15730.69111 13719.38005 12080.57188 2293.319928 2107.368254 2233.648172 3245.294914 1599.133864 1536.960174 1412.376198 674.9453821 1965.020884 22802.27439 17910.69272 19835.42315 18881.08712 24098.3377 18848.54811 22397.7631 21473.80479 23098.99942 2735.224314 2222.229354 2264.31213 1792.454301 2310.368021 2769.886293 2628.08569 1086.13364 1471.345618 15967.57408 18316.73088 16274.45019 20112.11824 19749.16405 22327.06137 18124.51339 24322.71164 25898.73124 15455.77356 10895.18969 14854.1614 14436.23562 12259.67776 3059.107921 14950.77113 2279.272413 16734.36056 alpha-Methyl-m-tyrosine 2507.077464 2226.811501 3208.952375 4060.150725 4698.942249 3474.634725 2950.625646 2226.129438 3048.3175 4.07813e-08 258.5772997 633.1538261 243.6200796 368.7691879 330.1444038 332.7047999 4.07813e-08 4.07813e-08 3141.074525 3494.758899 4348.531565 3140.294729 3394.517149 3954.425651 3763.248749 3676.807254 4171.755667 528.6337157 291.8318635 458.8893729 4.07813e-08 312.5936473 167.3895683 4.07813e-08 4.07813e-08 252.95226 3010.672703 2960.972914 2557.205741 3259.673589 3457.532987 3971.245075 3941.003232 4018.370983 2843.297776 3021.552467 2677.011222 3394.333979 2455.537538 2698.892455 325.4794657 2422.232966 4.07813e-08 3311.405858 4-Pyridylamide oxime 1718.960439 2164.17749 1875.166694 1892.617581 1531.79613 1430.125812 1265.710999 1054.58331 1908.792497 2140.267256 1572.216822 1921.18967 2001.259284 2021.877125 1850.355477 352.7080636 2159.677977 2580.416655 3183.519119 3632.163484 3785.965898 2689.321131 3680.766888 2101.532414 2211.046348 2717.965318 2451.391965 1519.81446 2252.692943 1939.013922 1962.694598 2589.617107 1824.032364 1916.0801 715.4722463 2254.02789 2658.738344 2061.838259 2005.601702 2519.45343 1985.834422 3061.791868 2430.347448 2955.026434 3212.528942 1545.590611 2262.888614 1992.207501 1222.921193 1771.683643 2367.908544 1824.49959 1543.627312 2549.032484 JUGLONE 2408.560846 1504.746096 3574.261572 3028.60741 4011.518846 2271.248926 2295.835743 3466.539466 2439.283018 1425.002737 886.5500621 1855.004627 610.2965237 2615.011707 1185.526953 1571.735523 6889.081616 4115.142121 1744.159335 4481.116963 2841.401422 1656.034305 1849.135518 2123.929089 1392.710572 1226.089578 1307.762935 1740.533462 1841.514099 3239.831186 1683.344362 1526.483494 1216.634682 1577.730933 2338.865334 4026.285503 1171.951182 1361.984232 1659.286421 1743.996936 2190.278963 3477.466368 1620.692433 1463.674385 1327.082417 2231.610781 2645.31978 1049.396071 2227.693123 2308.035471 2934.944266 1006.68737 994.1917732 2713.030544 Methylisocitric acid 3071.655796 3922.98921 4136.63136 4860.273818 3655.993627 9122.628797 4464.361246 4898.057032 4087.767682 7827.973548 7672.524994 6502.313681 8226.77011 4098.571992 4282.499199 2971.296278 2223.996641 6526.086677 8397.980448 7682.69922 9087.487749 5439.815422 5501.179873 9150.407226 4566.84158 9557.16549 9283.995735 4313.481577 4639.66462 5378.958059 4617.769086 4307.169066 5599.015671 9612.19195 2707.122519 4041.0893 3481.474773 6293.369093 6596.815367 5438.320848 6583.171732 5726.523922 6647.633172 17985.78108 4112.686948 13156.57012 6859.170482 5286.807897 5745.13093 5838.030557 5930.642698 6878.189118 6424.26845 6238.657601 p-Hydroxytriamterene 3275.685688 4072.896565 2879.971281 1839.210828 947.1163969 1823.264721 2247.804559 2245.317451 840.3592439 36837.93401 39653.27369 7939.121745 31467.43138 18794.75471 22593.07676 23262.31119 13844.77129 18705.50933 3202.118972 3258.540472 2727.788217 2155.904133 3926.343303 2862.048528 1426.110247 4840.110109 3853.558865 19417.82024 17703.96115 26990.07305 9981.051078 9605.8377 16548.07245 27065.12159 8299.398354 10949.7125 3550.875244 2335.788303 2735.154539 2712.662441 2107.970372 4694.419921 3190.420452 2603.618569 2468.491108 2419.867423 2281.094805 3174.043469 3335.685461 4280.648431 19982.48556 2397.820781 25574.14624 3566.120346 Ethyl 2,4-dioxohexanoate 2757.061831 3172.862725 3057.386103 4821.924579 3437.032791 2573.356688 3058.55983 1957.053277 2256.083945 1373.274377 1374.623571 3736.580857 1155.530366 1747.087272 1650.294175 1484.21587 322.5156382 1098.494516 4164.372293 3922.150672 4264.292878 3817.64763 4447.945584 4201.814131 4683.093661 4314.722052 3688.650732 2505.542246 1921.244944 2149.339299 1637.480999 1850.815693 2217.721794 3332.12361 1209.758048 1647.353858 3965.35154 4298.459517 3793.166668 4849.296011 3338.18271 4589.106566 3645.981744 5124.099699 6107.245058 2244.600098 2175.806181 2659.867092 3599.567402 3619.883177 2523.337246 3298.293426 2610.238395 3121.152631 D-Glyceric acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 392.1671594 104.3151567 137.1953326 162.5346154 951.3696889 4.07813e-08 1494.14844 650.4783153 922.9927922 39.42774073 4.07813e-08 19.51770686 2463.237593 180.3459554 317.0288602 71.56700284 4.07813e-08 4.07813e-08 798.495703 47.20034096 43.78424457 340.7005894 4.07813e-08 1763.298395 4.07813e-08 3101.489174 54.27367862 4.07813e-08 590.929136 4.07813e-08 768.512329 4.07813e-08 71.39122804 141.7701713 217.6546746 77.66848734 37.47052306 674.667356 179.8141572 4.07813e-08 1951.466625 754.146978 759.0101625 166.5654889 182.7248755 173.242961 554.7643718 929.4082171 582.5703235 Isobutyryl carnitine 322.929726 574.5429247 1534.957571 1331.266603 1226.879469 1667.003783 2059.847608 4.07813e-08 235.5869602 4.07813e-08 4.07813e-08 50.4019858 4.07813e-08 97.01073765 189.4175839 4.07813e-08 4.07813e-08 4.07813e-08 2480.258129 2673.158009 1621.573858 1567.926713 5992.713508 3446.060242 2373.326516 1516.857894 3066.127784 495.672779 468.1138279 4.07813e-08 137.1830705 689.5887729 937.7319359 628.7365073 180.0331833 52.66855573 1594.106386 3156.176577 1865.732076 3380.615158 1977.985562 3698.669824 4400.274693 1229.405619 2238.501971 4426.30668 1578.083189 2449.555639 1538.525391 1585.711799 323.6293987 2504.507076 434.4670421 1304.911749 N-Acetyl-D-quinovosamine 4730.856407 4941.064988 5023.797986 5242.069516 5964.055521 5442.256036 4929.798579 5163.231171 5144.968746 2781.49047 2530.16512 2752.720242 3190.627402 2604.809521 2089.778424 1887.2041 1510.559597 2535.707423 9345.074061 7268.111537 7662.708326 6902.145653 7976.93846 8227.717805 6575.430831 9204.920352 8456.571608 2523.748188 2361.575783 2528.092271 2016.032827 2388.981893 2969.560296 2894.027085 1899.60932 3340.984807 6198.478249 6286.435694 5531.68793 7235.542193 7356.317163 7598.725651 8242.308212 9447.528053 12034.33101 7551.343384 4820.971403 6070.394711 5116.536838 5213.6935 2436.688819 5151.081854 2844.254862 5981.047306 (-)-Corey Lactone Diol 3513.548806 4370.356336 4623.565497 6010.746013 5849.317381 4145.124541 4164.513458 3464.535303 3183.513105 1848.998678 1306.90959 2786.344819 1611.752874 1760.18016 1669.92919 1256.620895 314.1092299 1149.411277 7126.277094 6730.478012 7049.801895 6634.290841 7809.988052 7045.209958 7076.567845 8261.173756 7082.570253 2226.306601 2671.784406 1935.331192 1238.095928 2407.575259 2624.138022 3264.81458 921.1159481 1814.822011 5698.413863 6907.326876 5733.169604 7576.030971 7060.046141 7979.169532 6320.610261 7844.666224 9925.612801 5385.226619 4170.446829 5606.72846 5697.565335 5553.819899 2859.44599 5412.241785 2037.293353 5652.292171 beta-D-3-Ribofuranosyluric acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 180.6965091 85.79340936 228.0905192 2590.980605 2479.627104 1350.623404 2951.233399 2135.030386 1532.415276 936.5621995 1002.135338 1722.06802 4.07813e-08 1512.934099 119.9531055 4.07813e-08 1396.709387 4317.552233 1406.926632 304.7178618 1282.322938 1626.593265 2806.994399 1273.527752 3501.687003 2129.788914 4147.824135 7767.004178 523.3976132 2370.377279 138.879261 618.3953412 4.07813e-08 512.5130029 145.4697474 356.9896985 4167.273715 389.0288321 464.1581941 711.1346896 502.4568521 4.07813e-08 4.07813e-08 439.200803 3960.866742 4.07813e-08 1447.491212 2909.557334 (+)-Warfarin 1584.737389 1473.910652 2543.13377 2770.405963 3471.86315 1784.776071 1470.827493 834.2051243 878.1012881 768.3058381 627.0012305 2683.487387 765.1499993 2029.813545 1186.216678 1392.416665 407.7377426 882.4481397 4356.189995 4360.362817 3751.820044 2712.943426 4039.581069 3094.059859 3735.333188 3400.723434 4253.236155 1520.893927 936.9129025 2507.627113 379.3973046 2606.580441 1780.497184 1240.584746 799.0513925 1506.99837 2655.365254 3757.505754 2707.110837 3545.526014 3530.594541 4136.667418 2608.448514 3458.621075 3717.445655 2700.502628 1705.423828 3115.041435 2493.584982 2031.027366 2319.877202 2976.68904 809.5192447 3140.057431 Phenol sulphate 4.07813e-08 386.1669506 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1071.231437 430.030398 2452.671854 1764.527461 3097.307011 3379.41395 1713.744079 2458.18129 4223.729584 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3986.809416 3959.159628 2985.860162 5487.687578 7090.026338 4153.507095 2188.685627 3923.386834 11882.6437 35.22908139 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 154.0375662 9055.050484 4.07813e-08 3140.532551 101.5465221 3-Hydroxy-L-glutamate 285.195703 391.6210233 2348.987227 792.6069926 2480.187032 468.4853171 358.2468766 209.5671804 857.4906801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 599.3112873 1699.33817 3638.053429 685.8576649 2187.863804 803.6808278 400.7902837 408.6901245 523.8560906 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 62.59366303 4.07813e-08 29.31536438 4.07813e-08 4.07813e-08 128.1700247 1143.530467 3215.092955 613.2796252 824.6923374 3642.232596 771.8037236 280.7400091 500.5593088 1002.458839 954.8233656 6258.786664 1093.31327 3464.801791 4.07813e-08 4025.798036 4.07813e-08 895.9368067 Benzenamine sulfate 1925.27035 2484.374018 820.1807631 1348.066269 1153.97327 538.3693058 1243.407394 1646.146506 1226.384744 13232.74553 11379.986 10769.1846 13613.42598 8704.452985 6824.966831 9496.054288 18900.78191 8178.503833 1980.332091 2060.265762 1228.916375 1026.771605 946.5256247 359.4303728 1200.508354 513.1982265 511.0262988 9950.235975 9500.074566 7593.646694 6813.827971 8077.591978 7070.421033 9984.284183 7483.973692 9859.039762 2572.569375 862.6661439 883.4801177 957.000173 1438.780483 1576.461185 450.6450291 484.9638948 927.8633645 337.6661723 908.8996919 921.474433 1168.770224 2678.638102 8677.208466 1051.9405 6580.046843 1225.607551 Methyl cellulose 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1870.976603 547.8691774 1254.152439 4.07813e-08 2422.043191 315.3020761 2371.764481 667.504758 26562.92645 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 218.2099571 431.431261 504.7148449 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 598.441286 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1415.78523 4.07813e-08 Tiamulin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2912.782635 5508.568229 3842.574929 4.07813e-08 10925.44571 1248.252645 42071.78866 97068.46594 440.3063485 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21.05611832 4.07813e-08 3230.726686 4176.074168 6986.842507 1170.481584 4.07813e-08 743.4227194 958.8757082 53952.07502 4875.498293 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1234.54475 4.07813e-08 cis-3-Hexenyl tiglate 585.1864187 4.07813e-08 4.07813e-08 1361.466722 983.9256304 378.3977994 4.07813e-08 663.8300061 771.3115992 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2485.249817 1981.450041 658.0399872 4570.808765 2399.927341 1920.982897 359.7781715 4.07813e-08 1708.910937 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2069.690475 1690.000579 446.146025 1071.29042 5650.609579 1485.479217 624.0222729 381.0753257 717.3441612 1367.786672 1340.878455 4167.930622 885.7462686 4.07813e-08 4.07813e-08 1692.192408 4.07813e-08 1744.676252 Taxa-4(20),11(12)-dien-5alpha,13alpha-diol 2627.735909 1853.319747 1881.913437 6255.509304 6715.707033 4298.429456 4078.852604 4.07813e-08 1661.929008 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21435.54226 14341.48088 6476.651128 9301.455692 6323.433894 10886.27071 5271.634644 55.22959457 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3039.890011 7216.348165 3215.531168 2325.093476 19844.81122 3010.660147 7238.791666 4.07813e-08 1708.57286 3514.251248 6582.512943 3351.539668 849.6433476 4.07813e-08 383.1959632 3683.379102 4.07813e-08 4.07813e-08 Ferulic acid 4-O-glucuronide 427731.099 428525.1292 448663.3373 438192.9931 445977.8461 449193.0151 435767.3141 434421.9055 442514.7299 329520.6992 299298.1222 328612.5873 315697.7872 392198.2686 315041.0664 414298.6115 325576.2834 392695.2553 330761.4158 346653.8934 319139.1939 352623.3459 354484.2151 343751.0097 355604.2103 370766.0622 351182.0095 298851.3228 362018.4194 338635.6538 421117.473 310186.3614 320275.9802 324109.3639 375594.8227 407876.4708 378180.2083 332803.939 341964.6569 320451.5014 338698.9502 337429.7039 362952.9413 378692.4436 382302.4471 403480.5649 393317.5396 350305.6793 369566.6053 344440.432 292516.6651 370281.1006 355592.2897 430817.0734 6-O-Oleuropeoylsucrose 4.07813e-08 478.7467431 9068.459154 4.07813e-08 577.7617242 22203.72419 2984.089223 2459.319529 2311.985275 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36693.99406 19746.1589 37498.76875 15144.40487 19708.41669 22983.08793 13921.42218 2570.580593 322.3193677 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1355.184323 4.07813e-08 4.07813e-08 1471.05196 857.5947442 13057.62385 10942.87333 8750.672986 16489.99286 11320.8171 472.3425589 3035.678056 131704.7151 65153.75272 31410.82411 1516.87207 1027.067874 4.07813e-08 26159.82916 4.07813e-08 6169.665655 UDP-D-Xylose 15548.69857 14862.82249 10553.58818 15264.81948 14380.23741 10731.66136 13391.96875 16945.05275 13186.87995 9423.234832 9140.733024 10800.21391 10495.29209 13027.3025 10871.75878 15344.75778 12287.98592 10494.43135 10086.7063 11284.39183 9266.261177 11738.72718 8619.376493 9922.89109 10606.47316 11224.28132 11362.73121 9725.015506 15197.44008 8952.823992 13665.1792 9663.181667 12494.48493 10696.33863 14231.99382 14881.30319 11372.08265 10119.76328 12098.59215 9195.343355 9243.426595 12549.23376 12058.19646 10253.25454 11242.33259 14310.56779 12159.15121 10014.99972 12771.51013 10630.6952 6513.306971 10073.61393 11362.83456 11822.89261 3-Carboxy-4-methoxy-N-methyl-2-pyridone 883.0392047 720.3062911 803.8867217 818.1176887 895.323733 1031.986264 1000.766306 1066.050735 984.9377618 477.6116569 387.9992456 377.8804687 334.046316 142.082338 352.4057876 60.21107292 170.8935353 358.0845301 1454.005118 1492.848625 1464.344675 1036.620097 2085.71081 1644.801606 1399.119651 1448.143205 1670.254651 522.1006023 375.0350713 294.2031241 206.3732518 390.6638312 373.3001655 475.2593059 126.5771307 166.3909129 754.2914888 1070.749245 981.1601667 1298.052219 1322.980176 2123.44629 1363.565662 1251.942413 1959.388793 1330.478021 1396.15846 1407.839758 1192.777173 1476.987401 256.0521214 1579.407323 415.102508 1350.570021 1-Isothiocyanatopentane 943.651238 2477.336316 1241.581422 2070.369898 989.4838742 686.811883 2016.991843 1001.729076 835.2200615 2685.470547 2568.202619 3697.787646 2831.031627 2134.808355 1606.889722 1509.318013 1549.217767 2113.06363 9837.85884 9090.784613 7818.031291 6286.480119 9939.054911 9710.853211 8250.11894 7744.547388 9202.296594 2535.663972 2539.715705 2715.537554 1774.174746 2585.867216 2751.152459 3193.100088 1667.067261 1938.67012 6771.611729 5659.050158 6105.011202 6770.216713 7394.790391 9953.347907 8194.96173 7434.051341 10465.81626 6413.296102 5415.949369 6464.235654 6163.560733 5379.182567 3259.228751 6515.355987 2291.907926 7326.053118 2-Aminoadenosine 24587.18324 18399.38429 21945.22157 29845.64373 19135.03587 15327.08706 20204.4328 54038.7793 40812.21551 1363.022957 477.6094589 2422.312079 1297.12133 1987.957517 1436.691242 1344.74355 1585.04619 5079.884063 19121.79546 21520.04964 23166.61229 7373.010739 20074.87778 12740.75043 11095.73828 7150.721842 14667.68495 2959.8124 1972.587417 1457.173099 3180.199844 2708.817089 1613.826908 1973.356802 1653.2267 3326.412133 16304.36039 14916.4811 26446.67813 22883.97 19104.5816 13094.76264 21193.70624 11396.59977 3280.520517 26140.75739 11491.97968 36514.13491 32305.37497 27931.50931 2220.237926 32026.89465 1200.650789 33072.62185 3-Methylsubericacid 908.729267 1278.357666 828.4084462 1517.119161 1671.424161 869.9091166 941.1410678 980.2036672 936.4881137 367.6817929 722.7933744 596.7502611 429.6938811 401.3167546 404.7828579 123.3025537 4.07813e-08 286.0054516 3075.777091 3008.746819 2926.071019 2003.093422 2273.203906 2602.428526 2110.771918 3136.962118 3638.646748 411.3491297 335.8929481 205.9266516 243.9841727 666.8520093 636.7929281 769.1706206 79.18773022 330.4206223 1706.035903 2329.814933 2312.667175 2203.900538 3030.218096 3244.107667 2200.531397 2861.831126 3626.76889 2174.22967 1972.082128 1606.639086 1301.606467 1918.162568 762.0511558 1375.539584 327.2635397 1288.795157 Isouron 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 97.33450838 50.88438648 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 689.8530384 396.4111082 637.4936941 343.7893114 431.8420272 412.3955107 623.4314839 404.9361768 1085.224142 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 257.3363873 287.407256 536.4985794 526.6779233 517.0533476 693.3170677 433.7610832 719.332475 1176.811927 324.4395969 199.2317009 482.4005495 493.1095428 212.2936603 4.07813e-08 349.5430524 4.07813e-08 888.6966828 2-Nitroanisole 4000.468512 3569.415808 3630.204255 2841.536947 3416.096239 2789.523233 3360.879531 3553.506641 3235.415044 2040.11283 1880.819955 1755.819302 2657.382949 1226.851695 1798.415952 995.453088 1027.838854 1977.759379 4824.134381 4599.893416 4426.734931 4351.885321 5756.420378 3807.824787 4354.736041 5258.891273 5738.865011 2046.855277 1708.49792 1255.432857 1111.041695 2195.678482 2428.392328 2036.896592 1076.441889 1355.74218 3743.066992 4006.111232 3776.32228 4292.3302 4309.853671 5416.002348 3954.788706 5511.681473 6586.705822 2790.688632 3005.873626 4040.790328 3249.719182 3550.86313 2463.182572 3473.847166 1636.854151 4440.605409 L-(-)-3-Phenyllactic acid 1459.211968 1900.333757 1973.363118 3783.766348 3056.547204 839.5819332 1867.54715 1734.701996 430.3325546 577.2057801 997.8827283 1711.242292 718.0599763 824.4365088 352.9827932 674.3205211 349.2264017 1632.004776 730.641148 939.7841371 1276.252458 2040.104361 2097.308582 688.5567876 1454.49851 770.8969878 1669.444801 373.9189721 672.4831252 810.1615205 646.9718761 794.256938 1320.384877 546.2085895 451.9550335 640.8038551 1990.029178 1062.859066 1177.79643 1579.523042 1749.942197 1823.257847 830.4870383 614.730601 1886.20712 551.8697447 276.7311491 278.7986291 1544.06891 1122.630366 1349.861111 1472.255955 346.7064746 1359.295662 2,3-Dihydroxycarbamazepine 316.9281131 4410.705418 738.8206749 1045.802984 0.020574774 68.8753811 954.7606489 4.07813e-08 1755.2821 7251.961282 6303.678536 13616.76912 7756.134923 8476.298195 6439.638527 6414.281121 14436.8949 4319.39229 10.04338098 16.35752087 4.07813e-08 0.004748941 12.5717373 20.50884009 30.92312343 4.07813e-08 30.35683635 6658.18372 5851.986392 17638.19358 3458.868017 5974.773616 10874.301 8069.150739 8325.589962 7357.69685 1057.492903 4.07813e-08 5.989781798 28.16279963 9.464925654 11.90058032 15.97465683 4.081394784 12.05532367 4.07813e-08 353.0853385 1211.875957 770.4204499 875.9511576 10067.53976 364.5598906 8207.663607 19.58435735 2-{[hydroxy(6-hydroxy-1-oxo-1H-isochromen-3-yl)methylidene]amino}acetic acid 1846.273169 1762.898706 1258.085758 1404.703402 2295.856473 1732.849072 1769.027791 1982.48464 3167.358201 424.2361003 1005.687674 543.247903 917.6296687 51.62578872 4.07813e-08 91.84620379 60.01525769 864.3068349 1760.543471 2718.237741 1561.926065 1445.298175 1921.521671 2114.361901 1841.580832 3109.871347 2620.365765 5.677671839 553.743891 436.6137749 156.8163836 598.8611136 35.8440289 477.1575308 4.07813e-08 259.5602376 1165.063092 2304.60774 1164.459096 1312.526031 1838.249585 1579.685171 1648.203905 2642.191477 4131.340763 2324.964156 1829.423718 1136.30088 1650.205551 1514.165336 676.9833698 1447.720298 745.9538828 2152.661245 Methyl 4-(methylthio)butyrate 707.9151128 458.510817 501.4376741 473.1805814 513.7827335 111.5203669 462.5487078 650.2500573 637.1585974 834.3622503 870.2346948 946.723074 1025.050298 334.3086953 740.7620727 186.2353861 104.70354 603.9990941 2206.031595 1653.427302 1608.201447 1040.005231 1431.108433 1368.361267 1379.916942 1576.141981 1493.896768 1446.478087 1246.098105 516.4608983 714.6751656 1235.207999 851.4107969 1894.997069 318.2793211 885.5610578 1042.298558 794.7362285 1476.889824 1165.215458 1459.639776 2144.214158 1483.418199 1830.542644 2276.078808 704.8036902 698.1028172 959.2191892 1396.865079 1858.461632 1288.635278 1370.015251 1083.157717 887.1993274 Glyceryl lactopalmitate 63.23779256 1602.289225 4.07813e-08 108.3410113 87.91976725 294.6813657 312.1929321 280.1782893 456.6290634 855.4309407 419.9117012 332.8233553 841.0930031 788.464372 1032.288239 145.7049437 53.04614749 1053.07273 140.7698197 146.3341362 118.7476554 73.17891932 187.9937573 116.588055 920.2956423 80.67353388 81.98631725 1692.019897 1671.338212 571.184532 610.4128107 1672.264218 2133.150146 2308.361733 159.4294748 454.786737 3628.103843 245.2689116 210.27979 129.6733445 4.07813e-08 81.00257491 4.07813e-08 189.0464327 951.5068601 270.1487518 167.0134454 44.41323042 1805.651412 3214.719083 2612.626299 516.8320933 308.5762492 219.1595712 N-Desmethylperazine 638.9325775 659.3063218 468.4095285 113.4406797 53.75596084 359.8014077 381.9675434 1052.994624 735.1051484 732.561394 652.5003619 265.355555 911.6205288 49.16939818 1071.379306 49.20568384 148.3636194 747.7164522 1179.983159 943.0954975 1082.312986 912.6918245 1087.226174 744.9657489 1115.797657 1010.091176 1539.20589 266.9461559 241.9269127 177.7443162 347.8086426 393.3284472 105.8454774 432.102753 53.95646992 70.54925267 907.2713799 694.3544086 1129.819648 1018.591936 1049.969908 1033.680728 530.6069136 1276.933171 1529.210614 943.2853021 636.3301337 514.1632154 697.7311064 967.1175048 475.4458308 675.2845965 369.4323005 478.3960733 1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene 3373.897524 3402.959674 2703.192912 3109.549751 2046.50122 2828.347866 2958.96188 4098.918722 3799.494671 2009.57023 1880.163012 1648.060771 2100.536677 939.4361931 2331.105297 888.4430077 1835.535036 1864.038321 7233.229204 6822.2797 6063.114862 4530.679565 6323.742973 5448.08103 5360.676852 4386.602517 4836.928694 2492.196198 2342.819709 2005.394697 1879.54297 3383.36831 2139.28558 2216.175154 1070.04117 1788.842861 4953.136501 5156.932416 4977.149834 5196.489728 5367.340478 6876.889678 4994.106331 4818.053362 7276.515773 3932.499803 4832.121525 4880.320968 4445.628373 4152.483361 2945.073126 4899.275161 2400.989986 5146.975187 Acetaminophen 2880.25865 2393.942759 3333.126879 3510.827797 3453.412524 3210.505092 3097.504222 1899.656999 1768.02261 1406.21739 1241.572258 1893.687181 1312.597299 1434.477814 1461.331432 1245.358365 359.975805 893.8348718 3837.91268 3842.615657 3423.296533 3783.798973 3008.099181 3609.836674 3687.799133 3886.997568 3682.582186 1053.456979 1057.526484 1249.633003 1261.507871 1425.193154 1572.541155 1621.486656 878.0145196 1287.777035 2845.568677 2992.610826 2610.40644 3089.208671 3716.968271 3232.041632 3304.558371 4268.762929 5174.295539 2917.756376 2385.595687 2751.484025 2147.871832 2488.850362 1398.975206 2585.930774 1215.127532 3064.927169 Dimethylsulfide 265.2746778 111.5862745 223.5506322 152.9528532 254.6037159 292.7069459 196.8150248 110.7035523 165.0854226 20.46073776 31.326918 4.07813e-08 10.55724165 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 453.5448169 480.7265369 355.032388 188.6932379 263.4297093 268.4802975 358.1654806 432.690261 359.980602 12.24670752 9.011537182 12.56669742 15.72827455 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16.12066182 147.8506821 265.7842599 174.8277683 271.7173515 295.88972 143.2981682 268.7179035 523.2899122 626.8680868 177.4607746 244.2886441 184.7113921 88.68656791 115.5662864 12.61283337 153.632494 4.07813e-08 204.171856 Cystamine 2140.596804 2246.586473 5009.379893 4616.739999 2665.487649 12637.86327 4604.107111 7849.218091 6684.614673 99.93800987 75.83437725 231.2875082 112.8843695 163.0733064 39.62698963 289.8231122 80.10505324 863.0761674 4185.365211 4023.004351 3660.116499 1858.253532 1423.103563 6444.70224 3443.307171 2699.786021 4396.191043 72.81795551 154.4100155 55.93975242 189.4948192 150.8708306 246.8020393 120.9252791 100.8531405 145.8772995 1565.321375 4365.575972 5479.060679 4437.49856 5928.808127 1398.760541 7374.392409 4279.107928 1557.135258 14725.78282 5322.613439 7609.943682 3789.429413 2686.909282 40.56208318 6630.850761 74.68470311 7493.987398 Brassilexin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2119.545507 1750.109106 1747.595089 2245.302409 2191.968297 1746.825677 910.0544802 1812.545886 7352.175899 314.3963635 53.69924823 45.53781625 4.07813e-08 99.28941139 96.33114121 123.9341856 55.07659042 308.5276771 4447.779052 6083.770015 1674.899474 2199.066089 2182.496789 2537.000542 4480.778367 4989.961825 4937.269547 43.3917925 4.07813e-08 77.46642283 95.06336555 4.07813e-08 183.2443587 55.07746874 55.02961853 446.4678124 217.1878297 109.7663358 4.07813e-08 40.45490288 4.07813e-08 6266.673153 42.40570647 1521.905403 47.44725792 trans-Cinnamoyl beta-D-glucoside 4.07813e-08 104.5312232 4.07813e-08 325.5673684 271.7893235 4.07813e-08 118.8564717 65.76474951 28.3327559 5888.548193 5554.132045 3397.155203 6101.040877 2417.214396 2383.318361 1779.5156 2336.463913 4894.876664 106.89251 219.5946911 592.6948837 258.1727985 245.6222894 9.157490221 403.2080126 4.07813e-08 89.03713107 2836.697472 4937.562376 2556.629376 1720.020667 2873.957054 2971.584969 7401.818159 1868.752423 1817.795873 783.9699494 178.4635464 116.2004635 127.417737 195.5716601 4.07813e-08 142.3575632 174.4190045 120.5825196 4.07813e-08 4.07813e-08 74.96883352 287.4220821 244.890117 2089.504802 192.7411965 4342.936705 111.3598703 Acetyl citrate 1532.810558 3700.805577 2519.799383 3872.972768 2027.912196 2043.240919 3686.294356 5411.796339 3775.627322 8314.059934 6575.087874 8944.777034 8001.230446 8994.488254 2118.708752 6364.16472 7414.677085 12465.59113 386.5686245 527.8813408 560.569026 804.3532868 102.1576732 4.07813e-08 804.5451172 333.2907613 417.9258478 5046.3461 7706.906071 15533.83175 5923.36447 17709.96509 4010.860132 4130.468503 3199.240913 8202.058601 7939.806086 482.7452351 1081.656987 4.07813e-08 592.9601687 437.8514149 117.5923946 742.7820635 989.7661794 625.6202971 1405.642448 1691.788499 2688.798533 2793.877459 10959.03622 1475.825573 12496.71091 2418.944683 Monotropein 197.9619695 1357.201661 1.998960513 192.9292996 215.2985334 444.5230766 1242.532872 541.9409083 93.26798573 15047.82654 15893.39451 6265.928034 13497.77421 7362.912774 7183.803935 12504.68349 11295.08048 1961.990772 862.929615 626.8664241 874.4829287 737.9778565 1183.80774 857.4686688 869.4744149 508.5995455 686.658034 9243.266437 3570.863176 9688.533223 4078.294906 11546.12511 8232.151923 13759.14116 6535.294085 6254.733254 853.7775219 198.6717533 481.6194686 640.7759302 737.2784802 1043.270298 561.9659811 652.2066715 959.4510172 938.3523809 642.710126 310.7965087 452.6414305 1053.145981 7009.521964 380.073943 7674.021866 1121.04608 Alchorneine 130.3087078 98.59720287 94.78906619 4.07813e-08 78.17334025 187.1996657 184.1984155 196.5996583 171.1945234 44.61537119 118.2537208 4.07813e-08 4.07813e-08 49.48875522 85.51184773 4.07813e-08 4.07813e-08 4.07813e-08 833.3447356 528.1881518 676.1921718 506.8763233 983.5429054 680.3774703 685.5864713 1550.318394 1134.474255 4.07813e-08 85.36861369 4.07813e-08 42.78266333 4.07813e-08 4.07813e-08 55.51852639 44.55078898 42.19428658 320.5116803 404.635668 524.7653093 534.7170842 575.2399645 783.043717 830.9161347 1381.012317 905.0142373 722.1451011 376.3496746 447.36312 496.6867034 491.3045413 50.62308325 277.0588066 111.0443743 470.8801197 p-Hydroxyphenylacetic acid 3655.9368 2515.066292 3188.404195 2748.532165 2898.803417 3291.780803 3095.861031 2940.408079 2283.80867 646.9449887 715.7798713 686.8053034 600.000077 761.4868302 546.6866927 857.9601972 496.0359004 797.2264013 4364.880246 4776.509844 3543.431555 5137.435561 3768.170358 5098.25388 3852.116609 5443.850403 5030.520289 595.5877624 780.0862987 1079.392884 1102.252295 621.7590375 721.0885416 536.5038498 788.508604 905.4864549 3323.566531 4676.882669 3722.109556 3719.386839 4729.812261 3509.022519 4998.704986 6374.288097 4596.190961 3994.879605 3171.226896 3567.57679 2767.224512 1990.594903 395.2318204 2916.951484 774.4422124 4114.557004 Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate 2112.376388 2023.436909 3006.160456 4363.741691 4783.265316 3066.205775 2746.736986 2231.252651 1699.334065 592.7538632 215.6558988 1050.415574 299.0418461 736.6709739 532.714041 467.8615791 4.07813e-08 622.4012604 3977.120585 3581.261254 3575.870949 3473.533344 4081.310274 3863.606978 3488.903737 4096.197211 4341.874937 342.1860563 575.6966355 808.7300606 469.3684891 513.6175375 832.8543992 561.8583086 568.0585639 742.331965 2803.34198 3201.466816 2905.879638 3317.691694 4194.537378 4182.347538 3711.393987 4167.025743 5812.853518 4685.564228 4560.1785 2285.271103 2351.142987 2200.816493 746.9449389 2385.628078 133.6450761 2777.055839 PC(O-6:0/2:0)[U] 4128.97258 4820.42753 2565.977608 4678.134514 3669.195461 4877.054881 4510.722198 7403.922898 11890.88063 564.9187943 862.9385246 490.8542479 106.2015901 532.1341662 843.5173188 431.4361567 294.1388722 1083.23605 1097.149061 1850.347814 3864.920437 1604.427669 1947.298249 1173.541603 1436.933574 1712.780267 2570.995708 658.9759066 1520.771389 661.9012601 1295.774239 1136.045051 844.6907112 1291.843006 773.1340559 398.840671 1359.265682 1769.597562 3204.279254 2841.206854 1735.576526 1974.072158 1302.743508 1502.405878 1671.250733 1262.193038 4294.613469 3007.140394 4304.628232 8244.194795 428.5475361 2214.724336 131.4064055 1860.200718 Deoxyribose 5-monophosphate 545.3595085 247.9637842 544.0381057 566.5576186 1007.373742 831.3197716 555.2421783 283.2267274 296.6996918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20.77894869 598.4531181 692.9277706 1150.045918 1492.000744 614.1541438 696.3665409 683.9934777 400.289861 558.3074271 4.07813e-08 47.36230811 4.07813e-08 21.15665345 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 573.4155606 637.8776015 801.9639359 1031.463402 1551.188728 615.0155861 751.4404919 547.4544257 173.2465533 231.3611668 442.9753027 583.782474 318.9525107 478.8704547 34.7603083 585.6276368 4.07813e-08 543.9231081 5-Hydroxydopamine 194.4278211 822.6370384 193.0237026 77.41160541 4.07813e-08 280.4245444 416.3020768 246.6470975 395.3816562 1598.495582 1202.124072 1368.907042 1718.4128 938.7288505 1305.102586 659.8405085 512.1739633 949.0780798 40.60530855 64.34923799 4.07813e-08 124.5504181 121.9042137 89.17273879 114.8745675 82.79335565 29.79021307 825.3792322 849.3851433 999.2800573 672.7964212 1146.203823 1467.423785 1279.933396 580.0121275 795.654969 254.4965351 374.2017937 56.61481034 38.17481515 32.20760778 62.1377643 30.30017421 94.30385112 86.79019295 4.07813e-08 140.243586 52.5741457 4.07813e-08 279.3335129 1195.714962 67.98888711 961.1588937 47.51402617 cyclic 3-Hydroxymelatonin 3226.276863 2344.068408 1822.545252 1924.321983 1613.243475 1720.24997 1966.105647 2262.356499 2694.795252 3260.183507 2431.208903 1378.494693 3107.980769 757.9639514 828.7016369 205.5421607 3937.313577 1522.522643 3226.770922 2064.202217 3468.698683 2471.385463 2643.977148 2321.090877 2351.093693 1972.865222 2450.546385 2242.498059 1940.726391 1147.062945 898.5429597 1302.609337 1466.533471 1975.893119 1597.510363 997.0454923 2803.501885 2256.724877 2068.186397 2692.184952 3428.257719 2882.837307 1722.059897 2427.087377 6493.448385 2646.243255 1758.355939 2113.315564 1959.436599 3075.205925 3049.510111 2386.522324 2737.892627 1678.81758 5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside 4.07813e-08 187.0223847 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14.68390372 4.07813e-08 4.07813e-08 9349.205516 14457.00996 10978.26157 7666.929784 15653.42613 5847.892273 7514.866849 14443.35811 41788.38968 4.07813e-08 4.07813e-08 4.07813e-08 526.2875163 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6881.368741 10908.98951 15498.89589 9365.887629 17573.3875 7888.125212 10659.90661 17790.06129 14755.78233 17.02840452 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 175.5717303 328.095003 15384.56258 4.07813e-08 10650.90123 4.07813e-08 3-(3,4-Dihydroxyphenyl)pyruvate 42.52360189 109.9521924 4.07813e-08 106.1403602 4.07813e-08 41.40853473 44.33874954 48.90896856 4.07813e-08 1001.74295 965.9768949 1714.038188 990.0847727 1139.288404 977.1121298 1169.801982 398.4576904 834.5877376 4.07813e-08 35.84019667 38.43988603 4.07813e-08 4.07813e-08 4.07813e-08 38.89341923 88.49016195 4.07813e-08 1006.006588 734.1366972 1498.553229 763.7716073 903.6875847 1724.334714 1498.313621 1109.166603 1750.771165 4.07813e-08 4.07813e-08 42.17816727 4.07813e-08 72.5154922 30.67529537 4.07813e-08 4.07813e-08 36.28743102 4.07813e-08 4.07813e-08 4.07813e-08 38.07435315 235.2209108 1065.712445 32.83531238 1261.207905 31.31781003 Nocardicin C 324.1131121 4.07813e-08 4.07813e-08 178.4024972 4.07813e-08 822.5590902 1511.981502 203.772446 167.0092523 1027.71698 1011.36832 889.3529622 655.3231509 337.4418707 967.5618815 220.7050839 2319.176185 986.1972344 4.07813e-08 134.4352482 4.07813e-08 581.5923084 374.4346211 300.7881246 709.512597 4.07813e-08 410.0000302 2168.525993 791.5184728 824.4811175 499.3912037 1231.580468 485.7109717 3607.199999 1629.774084 602.483941 270.1468194 172.5020144 4.07813e-08 4.07813e-08 4.07813e-08 246.8038374 275.4833488 223.2623845 674.6382116 4.07813e-08 151.3562597 4.07813e-08 787.3710874 4.07813e-08 59909.28978 4.07813e-08 70054.19886 8948.324025 AF Toxin II 4.07813e-08 278.5091177 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 265.7037432 55.5706963 5231.471074 4579.113544 4262.700759 4466.561022 5177.682526 21055.87712 15624.32478 12294.86534 4503.785737 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 222.3984976 376.4831504 4.07813e-08 4.07813e-08 8677.964672 7712.92022 1923.47024 13982.34909 4495.845088 5194.214928 9707.805341 9024.152604 11652.46068 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 166.9996577 196.5245615 4.07813e-08 4.07813e-08 550.0407826000001 7559.805289 4.07813e-08 5994.89765 176.8442687 1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol 123.0280296 840.4698347 170.9880199 1057.261076 212.8424674 174.3707205 1346.684936 1338.378604 1171.681914 2733.606863 24659.34325 1715.771316 2930.395936 707.5006138 7515.856437 39460.92644 73565.10505 2001.4336 913.9085849 1128.950679 1409.815285 1141.254731 865.6704241 1692.705122 1706.251287 2062.454558 1440.47909 75566.75392 1662.407467 14770.43289 865.9649616 64794.62429 36307.50141 2954.643409 21870.72137 3028.194734 997.2819728 710.6010272 555.3628531 1377.032281 1153.096133 1578.126156 1484.109669 977.0902421 2492.014916 706.8409757 1170.984856 714.5921349 765.5537028 1445.960945 25669.56458 985.8919238 78866.86092 3715.480738 Ethirimol 4704.6069 5331.096657 2771.258625 4061.470428 3833.410451 1734.538101 2889.745501 3728.282622 1832.269036 889.6038347 568.4455642 551.6513835 508.6295058 550.4410043 642.7791328 284.9511279 566.2171069 753.9942713 6036.488339 1928.569575 3206.098919 7153.093305 4465.8145 4.07813e-08 6311.164788 5394.991456 323.9071867 437.8916098 952.6747713 1009.944125 508.998442 1336.966707 383.8375192 819.9365201 320.1803246 466.5991548 9601.875504 2670.966985 4294.749237 389.4201257 7096.009342 10461.77364 4.07813e-08 3193.191606 10213.38968 4.07813e-08 333.7984698 1521.777947 7588.625749 4114.420304 863.2509116 1914.885372 648.7520357 1590.117145 Dodecanoic acid, 3-hydroxy-, (S)-; L-3-Hydroxydodecanoic acid 584.4331948 416.1274505 1401.303644 1724.005154 2158.027417 1185.211308 1230.462705 508.2075392 590.605456 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1297.358597 1334.969159 1111.293103 942.7686657 1632.045034 1509.983513 1570.916172 1433.316164 1819.454882 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 834.5176458 1113.392784 769.5058304 1367.081393 1693.605299 1378.385903 1392.841548 1245.442696 2118.664223 1036.585705 725.0612349 827.3038135 489.6524836 663.0993262 4.07813e-08 790.9372323 4.07813e-08 870.1525297 methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate 119.2541962 95.81272424 4.07813e-08 1965.897629 438.8806379 110.3107587 694.6147885 440.0836652 240.1417834 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 468.6175754 1129.577884 737.4187717 1473.567668 4278.249902 2197.867387 1808.521317 1674.148904 590.6065834 491.084398 70.43502227 93.73519235 318.5193466 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 870.3601774 248.0746984 1300.744218 944.9539103 4117.914494 1547.89433 2038.327434 625.1517289 926.261426 2474.702692 1858.182919 1501.52557 611.5253704 797.8816304 399.6605141 1229.153758 4.07813e-08 698.5675097 4Z-Decenedioic acid 1522.364174 1006.594313 1655.111204 1364.184589 3045.709878 1861.912371 1318.683034 1402.897066 2086.356111 163.8472689 96.34204794 71.85131728 85.38191542 47.75268533 66.82585503 35.06609258 74.4487446 197.5114195 3343.433949 3320.308555 1832.755409 2386.793008 3397.842572 3809.015096 2119.564062 2295.596069 3319.520074 24.90333161 137.0649045 55.91130989 4.07813e-08 4.07813e-08 121.9910983 81.40950273 50.21348524 260.3731766 1560.425636 2332.01031 2293.368619 2295.708886 2486.142915 2828.752986 3667.349253 2565.944674 3772.816755 2520.283548 1920.736373 1791.21675 1545.644657 1489.814504 73.3301096 2300.67054 106.906083 1873.18277 7,4'-Dihydroxyflavone 7-rutinoside 4.07813e-08 4.07813e-08 4.809813196 4.07813e-08 8.557734897 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16242.18456 12254.92613 9618.250496 14152.60815 11600.49274 13155.5519 5944.12478 10241.02429 11152.15244 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10191.25222 12400.00177 8215.397936 12087.23629 13810.48377 10253.2081 17570.52111 9716.276835 8873.05503 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9363.607928 4.07813e-08 11545.764 4.07813e-08 Phenylmethanesulfonyl fluoride 3889.129363 1611.775808 1781.833497 2086.737953 1365.561906 1631.450038 5496.690907 1156.26036 850.4437981 390.4746735 323.1811322 219.0800532 267.88167 876.5512093 731.129992 269.1889031 55.76403289 437.9157877 1916.559605 1704.733554 1816.443583 1433.928945 1962.489333 1707.028059 1404.242292 1920.559947 2429.174719 90.7538017 209.355964 218.426683 143.1130406 174.0745675 281.211478 923.6612116 259.0971533 285.3354096 1706.006282 1534.753374 1450.72964 1418.561041 1557.694675 2099.485861 1908.46346 1879.665419 1978.925081 1467.730565 1067.681777 1312.686525 1254.277045 1133.32915 222.9582394 1749.089561 126.5224863 2093.175963 Pseudoecgonine 3401.825834 2766.517093 2895.981634 2997.347298 2874.622927 2977.742952 3233.34859 2815.123405 2441.899847 3606.175764 4220.163236 5027.245328 3856.796295 3094.305664 7443.055038 2934.715995 946.7778429 2229.007534 2662.026116 4196.895986 2218.921533 2032.54017 1894.388368 4132.470427 1958.506091 2731.846317 2456.482279 4078.850714 3679.505917 2598.215505 3427.813938 3837.030315 5658.856698 4174.139219 2453.141458 3009.705939 3264.832656 3655.01127 1283.172324 2406.008547 2132.621466 2211.846724 3902.213554 2855.920779 2296.296406 6787.944856 3044.159293 2974.774218 2602.116789 2551.954565 3296.019622 2178.920311 3527.901793 5518.226015 Tyrosol 7464.296953 7648.598643 4861.028678 6208.896801 4512.273319 2059.015536 9432.413355 5553.262969 2818.878863 2289.544199 2212.73837 2399.770795 2976.0647 726.32557 498.6622361 826.8045885 942.1323395 1133.957205 2510.556978 1393.561131 4683.171254 26985.86281 470.0343256 64.9028421 9135.379754 33403.3771 2395.09542 2501.854007 2422.261626 1819.476431 1897.597652 2859.017275 5031.275803 562.4965217 1115.27003 1788.136155 39944.96539 3219.484375 10028.45592 1088.337565 11340.10389 6432.028318 243.3670344 15559.01904 28582.27472 492.4929774 520.3534058 4066.258317 5075.378815 9405.114247 2458.680337 1717.864887 2079.412156 1135.537157 Phe Gly Phe Gly 3497.75911 2838.669294 2853.22294 2250.412402 3134.256148 2733.390244 3185.955021 4045.538766 3713.929756 2321.569263 2573.413513 405.5989335 2295.267512 1108.684507 2721.416276 5595.765872 3564.086219 2053.670478 3922.567729 3382.244025 3578.807306 3372.05565 2092.337345 2437.086464 3764.182948 4499.968448 3431.752059 991.0266782 956.4034467 2886.318141 395.8350326 3295.330467 805.789729 1821.762592 910.2145587 1510.764906 1863.79288 2521.598362 2332.198599 2926.712155 2900.885951 4161.47109 1818.224217 2394.800145 6957.051487 1272.494058 3751.859653 2027.604532 2211.786455 1506.82477 1205.22748 2642.626243 3080.248703 2702.851469 Haplophytine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2141.070372 15170.58573 4073.371887 4.07813e-08 10662.42703 2314.726707 7264.912749 1228.81737 12061.89262 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 165.9798039 2720.422496 8739.772834 666.9268425 6027.367426 1147.004621 205.2175781 535.7778044 2689.002499 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1392.983086 4.07813e-08 7981.434146 4.07813e-08 2,3,5-Trimethacarb 1374.294385 1528.652655 2006.353367 1792.692163 1794.229576 1658.818776 1606.135032 1655.815629 1339.865948 929.567044 842.3459855 1555.663225 1263.470046 824.119501 607.9755071 782.7760418 175.8545881 936.3462604 1891.644264 2727.343062 1802.497842 1827.33412 3276.191681 3353.519755 2329.225521 3025.844608 3510.55948 853.8091696 620.8645613 811.2154769 730.5756733 664.6345302 885.3152468 719.7317522 667.857804 960.1688585 2157.265172 1769.236525 1879.923587 2201.47294 2530.124033 2949.204042 2962.595134 3741.868621 2654.55793 1288.976255 1672.056946 2111.709411 1726.996089 1671.496103 738.3063663 1626.564382 1082.205512 2752.082848 Metominostrobin 2192.605941 1309.387958 1281.27606 1209.26766 2015.564558 1408.082055 1603.333488 1515.803457 1649.931415 650.4163545 266.2707583 4.07813e-08 939.7247501 24.1013587 227.3143464 234.3058474 705.9781179 887.0164056 2860.486636 3197.971386 3336.717671 2407.49578 1514.29245 2136.671244 2613.865845 3062.962068 2303.330501 689.462534 777.3584495 4.07813e-08 304.2598317 1051.132732 481.5224311 791.7546145 11.15763607 24.30782059 2271.320793 1464.845954 1925.259807 2312.707453 2885.588688 2946.937807 1876.309919 2984.900223 5815.322382 1389.707122 1284.356817 1430.755963 1344.075579 1698.10305 1236.791778 973.5215076 901.4209707 1656.437429 5,6-Dihydroxyprostaglandin F1a 590.6769472 1529.194232 151.8633937 975.5237078 4.07813e-08 431.3257816 860.1176233 1051.24956 1222.194737 3253.942726 6880.407475 4106.781963 2329.018971 329.1262466 20529.41473 13056.21456 6198.952051 3357.42364 467.0981038 745.050228 463.7512664 4.07813e-08 579.0483501 519.0133777 403.7801712 840.867855 681.9727157 1741.018707 6223.386599 4.07813e-08 9002.963359 705.6077126 5426.445635 8588.63717 7031.483392 3450.272832 493.4837686 4.07813e-08 397.4495822 412.0875399 647.7314577 252.2590406 231.8050921 116.4100234 437.2288012 4.07813e-08 146.1000499 568.9039829 727.0213309 1459.39818 1822.430112 376.547759 1974.122981 4.07813e-08 Isopentyl isopentanoate 2890.632772 1634.752701 2817.046272 3682.682947 3506.875679 3856.072985 2986.910166 1737.463134 1775.853171 4.07813e-08 4.07813e-08 4.07813e-08 42.88050597 70.48501239 64.74885603 4.07813e-08 4.07813e-08 258.3367777 3118.640946 2811.631895 2134.520915 3204.504404 2316.026603 4311.347553 2821.460152 1938.704203 2853.887047 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 62.47317729 2304.474979 2468.686299 1989.941645 2610.208572 2760.431189 2742.189441 3495.806933 2344.008877 2652.486184 2316.039294 1489.884309 2465.259575 1448.060906 1507.30525 4.07813e-08 2393.747283 4.07813e-08 2920.132215 N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine 2259.120978 3798.972947 4.07813e-08 4.07813e-08 186.3902991 4.07813e-08 4.07813e-08 999.1549928 1091.409462 12595.91501 26078.5372 11945.00598 12990.49739 21550.73326 25772.19944 13216.44099 45834.99469 11140.55808 159.7155508 13.06346626 1.036171322 4.07813e-08 239.3571968 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 79639.50996 6200.769677 14021.49854 2414.443583 14787.68277 45764.18864 4231.860413 43104.71648 26988.55633 14.33380183 4.07813e-08 138.034911 5.062687682 4.07813e-08 4.268131641 47.46479017 4.07813e-08 4.07813e-08 4.07813e-08 22.32444042 135.0072526 281.8418227 4.07813e-08 6257.355907 2.51598954 11253.18137 4.07813e-08 Zearalanone 452.3929304 101.8662875 520.383129 193.6703217 531.099827 4.07813e-08 322.2321981 304.2624447 322.7135982 4.07813e-08 4.07813e-08 144.3640472 4.07813e-08 4.07813e-08 87.60261516 28.06769304 112.1537753 111.7056816 2435.819509 2107.753787 4049.092142 3060.896542 3030.719861 2105.354073 2297.972945 6722.624028 1730.073766 4.07813e-08 4.07813e-08 107.7939013 4.07813e-08 4.07813e-08 34.51188102 24.24314705 4.07813e-08 128.4819092 2090.160468 1222.229149 1759.676094 2506.917226 2219.497106 2838.760591 1955.142733 5742.138344 7918.674443 1029.590741 1345.66792 1229.103015 1333.739625 700.7041284 748.9038117 1180.254182 275.1805152 1892.76574 Cyanidin 3-(6''-acetylglucoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20043.60195 12077.64839 7061.045738 16783.11826 8719.071714 14628.84578 5340.930969 15158.5926 11677.82412 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12909.93257 14770.75822 8323.008155 11036.53798 12910.79567 12561.99116 11539.00634 6524.42969 7919.029114 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13833.41852 4.07813e-08 14877.77192 37.13534771 Terpinyl isobutyrate 1466.77404 1101.633642 1877.406421 2373.893622 2297.344007 1295.96362 1103.783248 1416.179504 1103.078014 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 959.2283589 182.9650148 351.5755214 1155.008985 186.1624826 331.8800478 707.2596373 354.7283232 256.1582656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.000461748 3819.020929 900.4849928 1105.559283 340.0643202 855.5829466 1131.622089 294.002365 382.5082954 194.5166625 96.57225324 265.7362186 1065.820786 998.7874647 1119.836093 4.07813e-08 1051.983139 4.07813e-08 1676.924488 3Z-dodecenedioic acid 4048.21952 4272.170803 4198.573871 3703.469979 5729.783941 4091.088162 4379.978745 3438.618021 2711.269783 1832.15647 1551.550235 1290.354449 2095.761854 1275.770484 2032.381932 614.3973673 695.4880877 1320.856861 5352.84546 6341.484709 5054.4665 4762.140446 6462.244147 4415.276071 5710.494922 5267.167863 5485.953621 317.9249633 1768.645542 1152.759364 1039.033965 530.7218904 1329.684759 1049.96371 548.9416746 1110.921278 3308.249066 3603.692014 3769.787545 4660.446742 5172.609572 6120.929339 4625.921941 5561.95921 6975.977656 4313.486548 3629.991173 3838.993824 3291.988741 3464.98758 1088.793835 4277.52722 1211.936147 4029.788074 Acetaminophen cystein 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.017762476 4.07813e-08 593.5839971 4.07813e-08 4.07813e-08 12085.81621 23540.0583 78.82424564 1684.468768 186.5402219 4.07813e-08 0.636496974 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.66735692 4.07813e-08 4.07813e-08 324.1086339 26580.87954 27109.42227 569546.7322 52696.03187 25830.47799 7560.620115 9845.06628 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.6261064 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12019.36711 4.07813e-08 5211.268632 4.07813e-08 726.2402078 71.47994098 N'-Hydroxysaxitoxin 2866.069721 11403.81174 84.3224703 557.1638321 304.8422047 4.07813e-08 97.33513741 4261.271776 6218.865407 108162.0092 107179.6815 203569.0663 110246.7225 381422.3032 262605.315 115666.1147 206654.1127 354993.7695 97.92349425 170.8751286 53.0780823 4.07813e-08 65.60125429 4.07813e-08 4.07813e-08 114.413148 4.07813e-08 175242.0787 218811.7134 299023.5188 352868.0011 848233.7663 363982.4506 227537.188 195175.5319 314488.0209 4.07813e-08 64.41562875 4.07813e-08 95.76754606 71.19302885 66.90637274 63.64385989 261.2247983 80.73170239 4.07813e-08 2950.781306 1036.900085 19311.81165 1068.196975 244157.4781 647.864191 46523.24451 2884.087514 Paeonilactone A 2918.64475 2825.574768 3029.855409 3474.875627 3652.806068 2614.711324 3656.17797 2193.436356 2211.340577 419.9890051 503.0310373 250.8892212 519.6442626 494.6747981 266.401949 418.469965 165.2185224 506.6543218 4065.096408 4204.87008 4058.665711 3804.316881 4918.728805 4345.247079 4009.616869 3601.203455 3443.178009 39.10286129 311.7544805 280.6806412 308.7724173 4.07813e-08 4.07813e-08 675.7986801 87.10940985 777.9609182 2784.751984 3939.154466 3359.676686 3532.697532 4266.272717 4372.669168 4005.829464 3375.024984 3709.430809 3790.449989 2984.473183 3897.342633 2920.044631 3026.562611 351.6780852 3847.093553 264.5218915 3441.438288 3,5-Dinitro-4-hydroxyphenylpyruvate 18048.82916 17291.7995 18812.24634 18154.98586 18554.25952 17688.60035 17276.51992 18362.09139 17660.10478 13867.63152 13680.85174 14218.79835 14480.44719 16524.13248 12853.69713 16888.43966 10954.3878 16417.96099 12417.18234 13694.82369 12532.98178 13648.38957 12900.435 13289.9821 13329.18803 14401.05525 15306.08704 13246.38181 14794.28183 14074.39232 17649.44697 13689.83285 14001.18109 13828.64492 14806.89732 17950.41053 15882.69078 14020.565 13067.40367 12037.70215 11690.75768 13019.46277 13031.42594 14342.56227 15573.14532 14786.63696 15018.85091 14128.18578 13644.5332 15076.99131 12305.71953 14247.42664 14519.73473 17019.81937 Isopentenyl adenosine 83.67392146 98.9311856 122.6507079 248.308466 750.24577 380.0814144 4.07813e-08 99.75034885 103.0352 54614.88653 37160.25693 66944.93768 39331.25594 48447.54502 52590.06333 30039.46334 54594.0015 88680.45196 3461.246413 1902.402983 2477.356628 1957.855937 2410.889119 1342.733889 1313.133569 304.7538125 732.2033616 9203.522253 69779.2674 65255.4862 30843.87974 100003.4309 42700.62188 16415.07372 26727.43861 63036.37811 937.2166337 1106.277944 1222.234627 1069.967832 2286.593773 3298.548968 1276.147094 632.8613454 1041.899996 1112.182526 1045.250656 1325.114902 460.783164 669.7001889 42050.52861 1238.130057 88373.7279 788.8029973 Boc-Phe(NMe)-Gly-OMe 2274.937002 1568.176629 1965.170963 3207.47594 1873.940204 3191.352737 2135.91415 1765.886311 1605.178454 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1948.943756 1985.583645 1744.223527 5542.730972 3502.313903 4352.525178 2330.885951 2118.021232 1924.130632 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1975.957758 2417.269553 1224.991629 2362.129625 4299.927346 2420.49561 2862.756323 1409.045152 650.1635688 6148.275781 1261.727017 2373.348874 1394.290038 1005.409621 4.07813e-08 1689.848993 4.07813e-08 5018.248638 3,14-Dihydroxy-11,13-dihydrocostunolide 14312.33774 12171.77294 15308.08065 17906.2529 20045.18747 19554.74757 21934.54691 11940.14269 16439.80792 1465.101238 1004.189004 1078.395626 2102.349308 538.7461835 696.2392106 347.8426461 179.1821326 1996.287532 39294.74726 37466.37553 36214.8448 37446.52579 47234.04097 38981.90756 37187.84699 25725.59086 30868.56222 932.3446591 2640.127323 2193.599675 1655.466115 3849.297987 937.0729634 3623.371982 478.1574728 2849.153923 24035.06453 30329.5484 28960.92217 30030.74282 38795.56368 46449.17164 35604.59885 23880.64401 38319.55001 34292.72637 26130.83519 32359.39473 21965.46928 21489.10213 4169.277522 29196.62825 1793.346144 21741.87974 1-PHENYLBIGUANIDE 1628.205553 939.7070223 1723.357343 1769.272809 2147.932736 1190.317553 1957.31506 906.197438 1496.439292 4.07813e-08 392.5469147 421.8771052 203.6483835 118.6427731 4.07813e-08 4.07813e-08 4.07813e-08 138.3058982 3426.851615 4261.036362 4826.038353 3945.980275 6482.1716 3307.515813 5138.753395 3165.221376 4275.016992 194.1095174 4.07813e-08 482.951816 305.4980216 1260.771603 4.07813e-08 467.7811538 4.07813e-08 4.07813e-08 1557.421497 2731.102446 3786.009582 3275.632604 4399.236843 5962.19236 3144.874004 3086.286911 4253.057261 4633.944729 4079.945899 3873.454998 2254.776285 3048.616074 1464.593079 5555.121293 110.621028 1924.917402 PI(15:0/0:0) 639.1694886 1254.186378 164.9165485 23.50002159 4.07813e-08 148.5163985 619.2303834 918.8053138 1277.593281 43359.5689 25001.86613 6430.004393 43709.69174 14552.68595 32176.90674 2587.480919 29388.36996 16235.67349 574.2905795 278.4638614 144.3944222 69.93854855 45.98809567 4.07813e-08 290.1378319 169.825137 4.07813e-08 25396.8212 9909.809302 5596.618332 3214.005453 7868.095316 4263.806197 6807.641883 8913.439426 10352.08171 419.9643121 41.40560521 347.43146 587.9244257 17.80223526 62.01078611 14.50669309 73.63791424 93.08839953 690.5639832 770.5779818 192.6424662 52.37740021 212.920959 12310.53198 114.1458332 3715.247182 24.94248806 (3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid 7872.997619 7195.265148 8782.059715 7734.600431 10472.1995 8567.848982 7539.659066 12095.24418 19987.73472 2428.639717 2041.944937 2480.685946 2138.557104 1583.007065 3116.033804 659.4128034 932.4632115 33726.72758 14547.11956 14841.68241 14196.16324 13596.38349 12910.61575 14185.12994 11416.44585 15278.50217 13469.94795 209.171468 3889.630973 1446.340716 1023.526859 3951.785711 1527.750505 1833.017952 974.9011851 2253.03802 7472.562217 11027.44206 9642.692565 13227.69023 12765.32688 13392.44254 14672.5301 14326.08323 17039.64395 10761.09122 14912.57275 11077.36781 10889.79606 11676.02903 10354.59753 10160.12375 2130.384658 10832.71516 Embelin 12108.54759 13163.97305 10836.80852 12648.94409 14929.22869 13845.14756 15841.38686 10616.43477 13781.15128 1185.423288 1081.636439 177.5219669 1699.840813 404.4313671 661.3239562 113.6115421 150.7423555 689.3202816 23689.03287 24014.71094 21230.59395 21452.83418 34983.93054 23473.35234 22167.54672 17105.41494 22143.33024 122.2595336 493.6071275 536.2155062 94.2173667 1114.375744 329.6772248 517.9350529 4.07813e-08 573.9503504 18113.63718 20009.21899 19078.59591 18124.99828 24964.19079 32407.39322 24315.43686 17169.43646 28998.52641 27181.93111 20159.11566 22598.32892 12899.32338 12541.04617 3852.645757 18587.03974 1931.359983 20721.04101 Annuionone B 14593.01024 17673.20232 14699.47458 15955.4549 16187.34938 14824.34511 21669.5568 15138.15187 12620.46776 2465.71956 1867.783599 1011.534337 3366.786645 1326.969057 1880.98786 543.9521373 148.1364689 3827.808091 23402.62879 25297.95304 22694.2806 25694.48891 28081.87956 24333.53167 26177.96731 19543.875 20492.18373 464.6417829 3127.600455 1745.871723 1170.282867 3612.605729 1747.489672 3452.979395 121.8906055 1755.123221 25044.10068 22807.75416 20051.85375 20074.76036 26399.58697 30600.44277 23566.06138 18524.95896 25295.59165 20968.24461 16725.90862 24597.98795 19578.08418 25765.06201 3859.192675 23469.25415 2562.325186 17449.29089 Isoprocarb 458.3789597 4.07813e-08 282.9481794 519.646632 701.1932992 713.0310483 838.2072387 477.9110478 552.2395333 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2022.293735 1765.298338 1471.667954 1633.389953 1941.752285 2108.925492 1434.962843 1879.166304 2180.531636 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1087.383292 1523.524824 1464.726939 1804.70793 2127.106097 1259.928146 1925.470767 1629.248883 2431.73118 1512.750032 960.4838902 1124.833782 1037.009209 895.6336135 4.07813e-08 1177.720806 4.07813e-08 1354.861912 (5R,6S)-5,6-Epoxy-7-megastigmen-9-one 3935.31875 1757.425597 3199.140875 3059.618095 3371.700462 4452.766381 3177.859989 1568.774723 2281.515616 55.31774527 4.07813e-08 58.65836838 45.00348545 85.72379275 4.07813e-08 4.07813e-08 4.07813e-08 62.37446263 5876.569138 4038.18876 3425.456426 3389.114363 3618.456419 5267.289326 2775.766387 2093.867313 2642.333005 4.07813e-08 204.9736209 79.03907751 4.07813e-08 51.85903659 4.07813e-08 60.38986864 4.07813e-08 4.07813e-08 4440.0806 3957.46839 3135.886234 2517.843507 3418.344605 4604.581371 4557.565441 2139.186197 2068.92613 3717.962928 4551.757046 4379.136079 3059.288348 2714.832931 96.40395343 4156.207819 4.07813e-08 2767.307222 formyl 2Z,4E,6Z-decatrienoate 4077.527887 3245.034082 3803.388832 5184.97164 5376.957902 5590.126644 4240.565712 2641.76622 3105.207842 632.5865553 829.9586916 346.8644413 674.2279761 443.8882445 323.9592164 141.6285403 186.3140126 719.3891665 5121.643529 4803.727917 4616.50491 5104.400048 7185.750663 5174.14992 4881.9755 3290.705146 3214.37205 145.7801751 711.5906854 634.206855 426.3399955 718.9760254 374.7809082 425.4415457 117.7895438 1546.387735 3968.630651 4128.943623 4241.653784 5318.798456 4852.844239 5637.67363 5427.003387 2791.84529 3468.10268 5287.896397 3240.625087 5048.083564 4804.925451 4296.247594 436.1890978 4054.408139 319.8822626 3796.300372 (E)-1-Cinnamoylpyrrolidine 125.9413684 137.5795985 4.07813e-08 800.722902 464.0982663 184.3770472 119.6546398 348.5088397 114.900478 1919.417783 2176.440515 2831.208798 2413.065502 1667.651194 357.4450391 1412.862178 490.8787655 1946.750024 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1016.323892 2125.15569 3536.104781 1245.854062 3019.763176 2070.022368 1741.531704 268.3763665 2429.18005 2080.594949 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 171.2272555 109.8686948 2372.348101 4.07813e-08 1857.675738 4.07813e-08 2-Benzyl-5-hydroxymethyl-1,3-dioxolane 10048.06839 10310.15693 10296.61745 9061.836426 9479.599712 8273.103087 8441.883795 8714.985883 7940.036687 6980.470642 6860.984539 7286.668013 8692.306889 6643.868802 6540.650048 9543.183193 4736.603008 9999.116263 7427.851067 7195.412428 6676.855677 7448.154301 6755.368948 6259.782352 7119.673812 7665.393553 8098.979817 6467.572721 7928.560549 6452.828293 8180.175332 7411.050708 6967.243647 6649.77587 7186.638092 9001.166307 7384.708258 7490.200349 7041.950956 6018.171988 6313.94974 7363.29608 7355.331717 8304.999539 8294.656394 8067.024231 7681.799985 6962.429789 7721.024375 7787.067212 5851.871476 7728.683507 7419.419325 9543.689377 3-Hydroxydodecanoic acid 987.6874004 203.8954375 1012.909841 582.7855334 1340.570973 1158.287203 241.8953453 87.45292828 420.3981106 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.27867313 1461.392593 1226.402831 824.115573 983.9726517 1109.76229 1509.537774 1142.175053 218.4145632 93.56569832 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78.41172557 4.07813e-08 4.07813e-08 4.07813e-08 819.8297714 870.9120581 888.4986111 768.3896803 915.8040226 1829.488723 1443.742487 202.0375583 191.6611476 838.6505384 778.382927 775.6509766 498.517063 169.2687165 4.07813e-08 877.8752821 4.07813e-08 522.3738024 Ketopelenolide a 9449.327739 8990.317125 8124.675631 10166.82682 8798.674856 11595.264 14549.11365 3959.12764 7595.624032 4.07813e-08 159.4970279 86.85780679 146.5818112 96.99974093 168.0734433 4.07813e-08 69.18662539 419.5695189 20495.70286 22677.26213 16903.31422 19916.4832 22624.31414 21713.59124 23468.06871 10078.24978 11465.03743 4.07813e-08 421.2290385 87.94757597 93.51525619 431.1287868 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11677.32956 20579.6336 16381.00028 13093.84441 21695.15577 25453.49795 18910.72376 10381.82541 12654.80634 19333.21928 13356.7894 24575.3458 11109.2262 9306.922606 205.6868814 17136.11323 4.07813e-08 9088.684701 Piloty's Acid 6152.268304 2799.747879 1484.274903 2844.624079 5112.769875 2090.795063 1945.644293 2474.821677 1243.466885 2969.313507 2821.194866 2501.028775 1832.756796 5254.704595 1235.617736 2802.474159 1660.498573 1034.058665 5165.85457 2110.425579 1810.242121 3407.492348 8263.486423 4109.857996 2410.333942 3157.463141 1661.783794 2185.076633 2371.721626 1895.795999 1476.648595 1867.012808 670.8063774 1803.290525 1436.118591 2584.4735 3003.710329 3154.453536 2297.877975 1805.085408 3746.222334 5872.055083 4588.958593 3044.202618 12352.47636 863.8507913 2332.279764 1025.999576 1511.388198 1404.684989 1590.861493 2930.511637 1945.401679 4693.52163 3,4-DMMA 4.07813e-08 201.2844478 798.9053978 1884.845151 1597.546699 624.1578407 138.6794081 4.07813e-08 4.07813e-08 4.07813e-08 46.60086564 1553.124462 4.07813e-08 943.1324279 4.07813e-08 749.8713595 4.07813e-08 4.07813e-08 1762.192366 1920.888 2075.187754 2299.19645 1092.183988 1413.050819 2130.393114 1955.83587 1744.113644 554.2442295 1243.969783 920.7773266 1292.118541 1199.794255 1211.997666 2240.387452 769.1486291 679.6574647 2349.943274 1619.62873 1064.898604 2288.544363 2121.090374 1952.140858 1290.849122 2015.383382 2674.853682 1368.910801 956.8931151 1053.314518 1316.682834 1627.538221 841.351166 1251.490488 1129.364696 1329.896892 Eugenol 675.2318833 391.132099 629.7651849 553.6424615 431.0238796 452.2606791 471.689021 531.2918984 514.6746993 472.5453317 200.3760552 244.6904213 174.7306658 211.1131738 123.1650093 333.4918822 4.07813e-08 178.4464763 477.6645231 575.8355818 622.3668798 557.3913045 380.006184 486.2381484 446.7308841 588.0548713 552.0313326 4.07813e-08 345.977171 443.3838486 518.728531 190.7092157 60.85528888 245.0842205 1273.19844 435.9780989 640.9951845 217.2545612 230.5606161 618.2336652 769.1354441 415.4372615 691.3275109 714.8757603 875.955245 904.669261 474.5187805 626.0512544 690.9959669 490.6609682 237.6839237 605.3191182 171.1524305 703.3036611 Isoalantolactone 4504.576191 1555.982155 1562.937902 1803.902159 809.9322741 4641.48859 6052.685714 4082.874152 4011.671285 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54.09091271 4.07813e-08 633.9281234 1101.506533 572.4099881 2298.118276 1895.020816 3299.817587 1281.530189 839.8376397 769.2368187 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3826.074399 1332.412618 1119.302531 1263.10543 1760.187869 921.8238332 3464.525348 622.9419955 362.36805 699.9783599 2349.425756 3625.454788 2203.513568 3306.545547 81.14175746 1770.033291 4.07813e-08 3733.978765 4-ethyl-N,N-Dimethylcathinone 1749.259376 427.1654506 1294.545639 384.9589357 639.2988105 3226.909023 4150.988673 3181.947487 2329.513794 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1434.805433 2192.999807 3383.646856 2093.019505 6337.120629 5562.718496 5582.316701 6869.017069 5594.322403 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2537.468675 341.4812482 1456.950894 2548.995914 3715.132242 3735.698466 6232.963378 6687.793048 2787.82478 5381.367615 800.1434453 3536.726385 4240.451699 2909.78215 4.07813e-08 2191.608751 4.07813e-08 4357.957749 Alline 2431.139119 2669.274831 3677.764018 3813.654445 5944.370266 6975.8153 6436.622889 484.7665246 1880.534924 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9921.083349 5449.814063 6813.753827 7197.747779 9695.56117 6262.147442 7633.109426 2866.206594 3671.656706 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3459.844968 6980.65416 6047.080605 8130.093642 9209.700322 9188.052934 5552.95879 1629.350594 4407.242635 3515.834901 3772.439509 7163.403671 2447.738743 2290.116533 4.07813e-08 6803.806367 4.07813e-08 1868.49108 Betahistine 7768.416604 2394.490145 4529.214322 3865.323648 3351.129036 8319.223121 5912.953113 4324.761567 2787.239763 2310.993265 1125.922211 828.417927 2326.862999 1107.001962 90.96093815 103.2515273 4.07813e-08 765.6149172 7244.041289 5521.72698 3615.203551 4473.075653 7778.360449 8550.417722 3718.262764 2320.125573 4104.15144 77.43641667 1697.200151 923.9413653 2737.847048 1509.02169 275.0198713 567.6404399 86.18588468 1721.3361 5418.365889 4982.343569 4330.689642 4347.24895 4878.336447 7135.993007 7669.967057 1834.450429 2950.232267 3948.762142 6301.926647 5101.212763 4681.187893 3538.730613 1099.091922 4570.855365 1265.952544 6515.590779 4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one 4.07813e-08 113.3159336 315.8745354 2297.502712 451.3956517 1726.607952 2066.598799 4.07813e-08 139.2424904 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 943.2283814 1317.154986 657.7666451 3261.653539 2911.352237 6139.331659 4047.467755 4.07813e-08 234.1576646 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 315.5226188 1104.81924 773.0744454 1356.799638 3752.284663 1975.513219 5674.510533 108.3784192 398.5000623 600.3457989 373.4889143 1123.488239 271.6446154 222.5887957 4.07813e-08 598.7390459 4.07813e-08 111.8962655 L-Linalool 3-[xylosyl-(1->6)-glucoside] 161.4187657 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 191.268279 26142.80991 72.73473432 331.4503587 287.5548434 4.07813e-08 24952.3784 91809.27775 125.1512577 242.2913946 300.2306556 167.4347495 4.07813e-08 307.9227745 357.7333168 243.7538594 4.07813e-08 528.0293335 41451.01387 212.5163414 12558.73855 4.07813e-08 49796.45444 21429.96999 4.07813e-08 41497.03075 457.6105217 4.07813e-08 113.7799054 4.07813e-08 223.027023 623.9196262 411.9875045 266.3386534 4.07813e-08 520.3856252 122.4550258 183.7195867 89.08408949 118.662483 4.07813e-08 146.354322 4.07813e-08 17309.16018 4.07813e-08 2-Hexylthiophene 547.4857109 1199.347561 1413.730433 3443.482763 818.8796284 1741.36276 1197.711889 108.4257959 843.195674 4.07813e-08 4.07813e-08 500.2573338 198.1792536 4.07813e-08 146.7010077 4.07813e-08 4.07813e-08 4.07813e-08 3041.077114 10279.26218 1989.74339 6174.894543 6308.127203 4047.853819 2635.062486 480.4529469 858.4721008 4.07813e-08 86.26244451 829.6661906 117.327671 4.07813e-08 4.07813e-08 323.7937573 4.07813e-08 151.5604238 955.1997402 10415.4589 2291.817701 2135.132187 7370.652089 6206.811468 4425.300503 492.2144585 538.210651 4355.298493 5031.786455 7385.138829 1325.239691 1196.093393 86.39513618 3868.634135 109.09294679999999 218.714 Oryzalide B 19473.74693 14749.8561 17840.81242 17159.1741 17189.69868 19390.799 20244.53092 15413.56645 11009.79683 3409.07794 3466.369465 1744.11387 3560.584729 1572.298622 3649.784692 237.5712306 1004.91539 1823.739166 44209.22982 44037.62021 38462.77586 38877.33514 57859.58562 49080.35742 39021.98484 42984.52916 42265.80099 2501.013722 6004.388049 1607.250896 2989.962651 6629.966719 2893.263173 4317.698546 572.7496398 1734.712351 27905.21884 38285.13732 31724.26739 39007.85775 47762.87131 46762.45004 41405.65479 35383.51831 56420.27509 30042.12845 22581.04871 29012.3943 24543.20618 24229.75702 8045.012866 28369.75425 3557.94032 29484.65756 DL-PDMP (hydrochloride) 5776.142598 4498.994954 6688.957792 11649.17694 10475.84296 7732.913032 7318.392105 2003.512245 2581.658969 2158.742066 2886.129465 3744.128633 1235.294253 4995.247211 3253.357726 2948.822159 588.6524559 434.623558 6197.678756 9459.906055 7058.573752 13076.44488 11122.21437 9654.63026 9417.210559 6779.47371 9316.883824 698.1743044 1496.076336 3754.042237 2083.699984 4216.883655 4283.92764 1565.827046 1930.515881 4617.512831 3720.263534 4294.44073 3638.526194 6941.795601 11771.12795 8373.30397 8672.777601 6041.468465 9601.339807 7920.737625 4968.41626 6077.600994 4114.718748 4085.365174 2450.604029 5873.748305 4332.428599 5744.70011 Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid, 7-hydroxy, (E)- 5621.642329 3208.775541 3855.798793 2304.249469 3374.3569 4757.363997 4632.583896 4372.068432 6189.090807 4.07813e-08 4.07813e-08 73.16862303 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11059.40979 9805.526756 6221.708864 4416.737519 9665.525142 11247.24826 6972.767945 7974.56283 10415.76836 4.07813e-08 98.25950621 4.07813e-08 4.07813e-08 98.52229184 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3070.211757 7452.438289 5732.70081 4862.526318 6810.792658 7465.994289 10424.79795 7472.501745 11068.32573 7387.478291 4133.455839 5804.883421 2616.872439 2184.757112 4.07813e-08 4295.579666 4.07813e-08 6158.900794 LysoPE(20:0/0:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 293.1875086 242.535831 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17975.41288 4.07813e-08 6810.923202 25733.80272 5455.695637 21057.38711 35086.04654 4.07813e-08 4.07813e-08 252.7555534 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11137.94272 8916.358945 4.07813e-08 20847.1047 4.07813e-08 4.07813e-08 15186.07196 10682.1159 872.9791352 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 186.7591087 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 273.7507379 4.07813e-08 1056.964518 478.4778608 661.3297968 4.07813e-08 HECOGENIN ACETATE 3054.032696 1793.465285 4893.943828 4.07813e-08 4.07813e-08 2762.280424 10968.95362 15644.99092 24867.63642 4.07813e-08 1369.64713 1174.56203 634.1543259 4899.016198 327.6357323 1815.310905 2793.97535 2389.717519 6491.784127 13244.73265 5070.370004 18932.57753 632.7365359 1167.278661 5353.841559 21097.05332 1150.821078 171.9585248 1393.971347 2420.497955 4.07813e-08 2653.882759 4.07813e-08 4.07813e-08 788.3077636 1158.461269 8577.687264 29491.80149 5533.404534 1270.449661 14933.37008 3977.005996 976.1740102 12342.2436 976.6939496 3920.08478 8074.198458 9182.881061 1913.850516 2931.664451 415.5492579 3995.859172 2020.86243 560.3700336 cis-4-Decenyl acetate 1950.536121 727.2118262 1101.273075 1815.469105 1553.779899 1303.277107 1017.34727 1200.743984 794.5357972 82.13355749 255.5024932 288.7048962 89.35914262 359.9658781 83.61622749 371.213919 4.07813e-08 556.6154754 1549.383036 1042.255059 973.2943586 2178.867311 1715.704165 1390.062559 1441.467698 1671.351016 1048.412922 253.1342005 373.6332502 569.8273981 369.6479017 229.7654207 82.55600117 490.823032 91.76217343 880.6127347 2180.239547 1118.635417 1288.356764 1359.317853 2117.814699 2125.186718 1823.642772 1670.222124 1175.549837 1155.383947 897.6644417 1667.000066 968.0419756 1197.22121 169.8133126 543.4972592 173.8685357 1050.716979 Diflunisal acyl glucuronide 4129.671735 3076.338003 11074.10829 7269.08182 4015.946935 2426.480477 7434.354039 9457.432622 3471.18491 1582.758523 4.07813e-08 4.07813e-08 4.07813e-08 1859.3922 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2119.672039 3377.446141 603.8324713 2547.037282 4.07813e-08 1684.325083 1419.627156 1828.757443 3174.662069 7950.247697 3243.469385 4.07813e-08 693.409657 495.7191896 4.07813e-08 4714.493783 663.4258725 4.07813e-08 1678.637564 4023.139384 4296.611472 1586.665801 1072.928507 1070.338596 980.0599507 3469.424282 393.0376977 1352.862777 4.07813e-08 2903.39619 3871.427593 2835.201261 4.07813e-08 2438.915539 2279.388715 3971.253676 Quinoline-3-carboxamides 166381.5878 113956.9204 278909.2731 237316.3428 159110.0477 362101.116 222708.7586 188714.2997 147772.2788 118762.9814 85448.47598 35653.86434 76329.96476 33524.03667 47963.91167 25438.4457 26569.22715 71089.85354 199768.5736 138587.5888 129304.3124 217624.5121 107893.8054 160821.8719 239870.8681 113236.8439 176998.5588 62521.91205 49638.161 32915.31369 54784.31514 44139.73319 56755.23651 188621.1914 23995.02788 50469.21456 218638.331 164463.9689 173201.1864 151251.0291 161124.8874 91202.7901 119834.442 116903.3004 137205.6396 84495.95283 77452.77731 93316.83846 93019.20178 95453.94308 48513.93676 85709.90308 53247.7695 147884.8466 Alanyl-Threonine 22832.83691 23042.10078 11589.52108 22625.63789 11473.34109 11957.20684 22270.60192 27405.47258 31611.77009 1710.379891 1283.725127 983.1589857 1338.978671 267.2251715 630.5501281 877.6641954 4.07813e-08 2488.716461 5942.782205 6216.574304 10938.08173 6256.571288 6437.028581 4510.068316 6127.149826 6787.800675 7246.828288 1210.240745 708.4316804 1189.560944 2474.824284 4.07813e-08 856.3755761 4.07813e-08 1717.500196 1212.332197 10370.93718 7567.149596 11648.97244 9708.456038 6393.680832 6075.696618 6357.595828 6748.959856 3593.813385 5212.636582 8426.080169 5266.331872 12677.64424 14368.4531 195.204888 7396.416677 739.2563092 4620.639646 Catechin-4-ol 3-O-beta-D-galactopyranoside 66121.83999 267689.0354 104247.2563 126396.4825 71333.57408 74751.61851 135645.1704 130125.7622 114776.9313 157365.5606 78321.54823 111796.3616 139759.2351 116263.8955 128679.8353 80331.3654 71373.34603 640505.7414 17068.03084 13998.46422 20223.00802 25921.87973 3334.278834 15862.94555 11741.46035 57211.15146 19616.38588 68484.30385 100739.9179 117560.2074 124432.4764 84908.80007 170671.4807 148896.1287 96468.57355 195046.4291 139086.515 27496.60249 22941.53881 12856.22882 11693.6176 18436.62035 8357.739401 60620.5861 21793.71071 24294.93838 65576.76788 45334.44104 159748.7643 180224.3423 326222.9446 81956.86161 141908.1137 125213.9963 METHYLTHIOURACIL 28575.28558 45229.88654 35367.04835 35642.1944 41655.46456 34181.93285 45412.33343 39479.99623 44014.1641 805.8075502 1023.546287 3243.612264 4.07813e-08 3073.401249 1419.290344 2312.637227 2372.287691 2465.902489 12063.07994 16203.17762 10523.22937 14208.29514 9341.164443 11456.24627 10792.91645 14044.75785 22735.45219 4.07813e-08 2579.16067 1967.660812 3031.573937 1583.014712 432.2965692 851.4303641 4265.921466 1855.518914 22175.18554 16474.07927 15922.18753 10968.29565 13401.31703 13481.47525 10795.34513 15245.48521 11116.64099 26896.70938 17259.6203 21322.16371 25225.84132 24516.5693 872.7548377 24999.07249 963.2989555 46745.90982 D-(+)-Melezitose 40565.45681 96598.42011 71850.63966 69844.68077 43130.72243 77305.93104 45065.78169 108740.3861 159835.1517 64453.06585 45380.83677 49515.10811 70124.98128 47755.62523 20462.1429 44277.17786 38113.29105 44357.19221 16247.89712 13147.91608 27760.31929 20988.40679 20614.61997 16881.72907 27167.33995 36338.2574 34030.31044 36021.85507 39783.35906 61538.72789 26454.87607 47592.37704 58920.62981 37753.7983 29921.18718 48560.15092 44945.58892 28322.37892 29486.77211 22496.0567 20392.40261 18050.83589 15831.83059 35621.10983 44935.7926 15442.96074 15370.35386 27500.90897 54489.77832 30701.95925 33807.94451 33566.82301 34770.32593 44374.86964 2-Methylbutyrylglycine 3109.14531 2539.480283 2387.722427 2307.894441 3843.93401 2378.057205 2718.785627 1960.908785 1715.988454 1719.093841 713.4996176 1774.358178 1123.296588 746.3043447 1191.000916 348.6257198 294.0360042 632.7429712 3927.830512 1640.995716 3959.230676 3036.479465 4716.94477 3927.696249 3628.153529 3971.413565 3385.253631 542.9442158 701.7195051 548.2321408 100.965093 1453.209248 1783.388663 1075.23448 86.13660083 1853.344645 3263.120976 2604.597576 3940.489629 3693.049641 2880.024426 4296.217087 3545.990114 4960.823335 3194.475162 3462.958612 2986.309473 2782.460516 2317.907887 3888.799075 1572.723384 2114.028562 1058.661785 3206.038442 PYRITHYLDIONE 4.07813e-08 4.07813e-08 159.0428385 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 93.04630367 4.07813e-08 3346.456206 4675.296187 5820.009156 2829.118564 5480.828797 5689.531294 2062.127682 5565.272419 9871.544759 4.07813e-08 4.07813e-08 38.1853249 37.66916775 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1869.45787 2994.576158 6546.501714 1979.974084 2787.4291 4929.548334 1391.813494 1842.719551 5202.156667 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 57.17107814 4.07813e-08 4.07813e-08 68.279293 4.07813e-08 36.72046833 4.07813e-08 2990.513757 4.07813e-08 42.39483335 400.4768696 Pamidronate 4.07813e-08 221.2154609 4.07813e-08 4.07813e-08 260.0313761 4.07813e-08 130.8525092 4.07813e-08 73.35036806 1717.812015 1089.884967 915.7778247 1886.938025 250.0637525 386.2889221 2101.259537 708.3396129 63.37208896 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 279.6102123 4.07813e-08 1668.325903 1783.078882 1434.581506 1787.297285 604.6783125 2713.02018 753.7725579 2189.909158 1429.169047 182.9621533 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78.57653663 4.07813e-08 684.1025838 61.65142168 4.07813e-08 4.07813e-08 4.07813e-08 122.3272945 290.7606461 1394.586573 4.07813e-08 1441.858024 4.07813e-08 1-hydroxyoct-3-enoylglycine 762.8126128 579.621211 904.0379461 820.529925 1548.805094 631.5887529 1072.375313 1193.809776 1468.151843 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 150.5894879 4.07813e-08 4.07813e-08 454.3749965 3056.02808 879.9615675 1093.696845 2877.569498 3674.272668 2214.525276 515.4385425 2288.665752 135.2112177 4.07813e-08 182.1588038 4.07813e-08 4.07813e-08 54.58971399 4.07813e-08 4.07813e-08 4.07813e-08 675.0353997 1432.151247 4.07813e-08 399.1885683 1051.447988 1355.156394 3873.254307 517.1975435 1071.300106 2425.814309 1811.127985 1054.603142 298.2093932 301.3439466 4.07813e-08 403.719791 4.07813e-08 3251.864031 Melibiitol 3298.206425 8329.221115 6698.168444 8003.737155 5750.950568 5020.425146 6487.94409 8191.883183 3559.492859 29111.10453 22561.71204 27446.2355 31461.36393 19623.51189 21602.12502 12464.00093 8816.121525 22330.62626 5857.246595 6088.504323 6621.743105 5853.575607 8750.69619 5780.13522 6260.917503 7631.743991 7104.4841 28670.00742 31080.59057 21814.7599 15684.55729 16721.58215 28113.5982 28728.19332 14891.73745 21444.84733 10217.13649 8142.878865 6759.216222 7446.904087 4993.228223 7900.606058 6233.698988 7446.338626 7734.728302 4729.040143 3596.502194 5423.07462 6018.618976 9376.314653 23037.32006 4543.007633 22150.39029 7715.578015 2,4-Diamino-6-hydroxylaminotoluene 2737.049716 2798.829148 3109.679483 2919.226175 2438.67214 2403.262389 3046.589163 3270.778508 3423.16473 1040.617175 997.9245871 699.0913992 1287.196967 729.6045622 782.7157286 419.2030846 527.2285881 1094.513513 3978.746993 6168.970155 3680.956538 4011.805051 5032.466868 5626.365731 4785.512117 7410.609757 5870.309403 986.8071366 950.2111392 663.823506 920.7759274 946.6710302 1091.267967 1030.219761 499.3965387 941.3309189 4345.96491 4667.946882 3128.787168 4171.282344 4585.333164 2972.538047 5039.094335 5330.077619 8040.943727 4937.841364 3432.165046 3263.136398 3004.211799 3257.94114 1019.343894 3123.471414 1078.784418 4374.684402 2-{[hydroxy(2,4,6-trihydroxyphenyl)methylidene]amino}acetic acid 980.4141004 870.6333786 887.0131461 951.349466 979.70256 807.0438563 1015.019821 671.1238937 650.5330273 738.1720439 734.7782872 930.5493533 1005.478425 1067.935499 794.5551877 335.234392 233.1826774 590.7404475 1007.655285 1009.329351 678.4998023 729.7179052 1034.547577 931.2714875 781.2629578 963.5433861 922.505114 690.313348 816.8406161 1098.4128 577.3510321 1097.631652 1118.432748 826.4648933 407.757462 781.3945926 825.9731374 854.6012042 1093.05064 614.0091918 615.547456 1168.926539 293.3956691 1097.01572 820.2092485 740.1146389 1253.129872 883.5541595 1077.441269 1142.775228 1089.22688 1031.924495 867.5331952 1170.404944 chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a 393.6109056 4.07813e-08 67.33833923 128.2618409 121.8746166 267.0870082 767.3555327 264.8492286 4.07813e-08 210.8151196 481.6185173 4.07813e-08 612.2932123 4.07813e-08 172.0683091 94.72432276 226.4415521 177.3242261 2067.784935 1737.491946 1792.948759 1469.987206 2222.999314 2191.995744 1870.891197 1954.161797 2261.583115 159.9234122 378.2484567 32.45219969 2.828211635 499.9250829 4.07813e-08 68.3375193 24.02949778 182.8669734 1393.624278 906.9613879 448.3246304 732.7622066 1114.425718 1838.254906 1940.985743 2405.304883 2161.634924 686.8879851 288.7500716 671.2000118 368.3335375 329.2374764 282.1705401 534.2824182 127.7118301 760.4907632 Benzoyl peroxide 4695.179959 9283.159535 5521.610531 2864.973632 6044.747927 3798.570251 2380.334977 18691.03957 13527.30325 175.8994328 53.40726093 3849.614532 141.1574345 4.07813e-08 393.2255695 12.55070443 494.6152936 404.8911309 4550.693732 5475.774357 2202.707995 2100.564901 2452.208754 4902.705118 3474.762475 729.6604374 2633.384865 4.07813e-08 190.0879883 129.356603 354.5342809 8.16197918 4.07813e-08 12.85019181 332.0646793 60.66627004 3171.689746 3455.233382 3738.124004 5271.932591 5784.566975 3980.352686 8315.922992 2396.932796 637.9161349 17956.78173 6975.804498 18391.87446 10116.12997 15319.72511 208.5012336 14416.47393 376.722991 6178.320811 2-Amino-3-methoxy-benzoic acid 1548.21132 2107.027579 2119.075213 2951.867416 2946.061787 2596.000209 2071.278574 437.0166452 476.2246305 796.5802287 502.8738011 650.7859983 837.7593618 248.3648332 289.8313349 91.38083049 44.1789375 4.07813e-08 2850.0211 3091.596726 2631.29345 2972.248938 2962.761216 3453.692451 2483.080721 3646.519833 2864.136001 248.9692367 658.3106332 181.85682 49.85388576 311.6059301 609.428821 633.7188853 38.57831602 257.9093932 1900.449718 2806.984089 1918.664864 2898.165129 3037.972979 2552.983032 2927.86987 3055.904455 4835.930695 1974.259833 1644.901206 1672.669599 1372.094097 1596.515551 387.1840968 1287.397346 505.5692081 2239.780215 AL 34662 492.9978011 180.2115678 934.4050023 1034.377683 1300.033798 872.7283959 477.5318289 707.7130974 384.0560873 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1988.785849 1700.112552 1143.470892 1586.255682 1392.422005 1980.61786 1674.605785 2394.546832 1984.74131 31.08037487 4.07813e-08 40.53276307 4.07813e-08 105.3424047 4.07813e-08 49.15713722 4.07813e-08 4.07813e-08 939.4248481 1796.853518 1354.659171 1930.088211 2137.217601 1557.55478 1995.735553 2234.866123 2978.630314 610.5347286 414.007026 706.0971703 1121.788906 684.3574445 26.51033847 794.2646345 22.02039046 675.0882564 3-Pyridinebutanoic acid 1438.268195 529.3447274 1754.153194 1841.619603 2309.357612 919.419879 1811.510964 1160.36685 586.8962132 4.07813e-08 31.88023544 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1420.474284 2639.043883 460.4761566 2119.736599 3860.042322 2724.448837 2509.328421 2667.346143 3678.184251 31.07690031 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30.90619384 4.07813e-08 1293.491267 1778.74204 724.6136261 1579.846321 2389.366251 2781.495784 2937.084728 2817.120119 3594.292101 1418.18812 1463.101028 918.1920581 813.3368263 451.8136892 4.07813e-08 912.1059865 44.22712657 2266.267456 4-Hydroxy-L-phenylglycine 1088.970194 922.1576892 1225.185079 1778.260371 1839.519906 1302.185691 1194.12865 938.4128047 382.6410026 408.0833305 269.4291708 499.5723554 251.0124103 374.7731014 131.2514006 4.07813e-08 60.04566055 382.3144655 2225.499765 2221.807363 1803.595621 2136.273156 2758.241639 1979.747964 1970.419488 2453.595521 2662.907478 482.9920471 491.7495901 364.4840485 83.1197034 385.7266859 487.3702697 657.7003844 106.9688318 313.6018615 1191.271975 1967.528393 1505.829828 2170.211849 1945.099511 2048.233061 2163.626961 2306.494763 3151.369178 1782.816943 1314.523761 1468.389941 1522.561141 1502.840931 414.4282675 1211.161278 417.038217 1749.561457 gamma-Glutamyl-S-methylcysteinyl-beta-alanine 236.7517448 1854.085368 4.07813e-08 4.07813e-08 16.19852445 417.0261683 387.1606999 1804.553118 1762.119701 17580.98501 11559.91291 8514.479676 18900.31522 7392.151175 9883.452854 7376.904075 9681.277401 16071.95948 58.15086454 46.23604753 4.07813e-08 4.07813e-08 12.10064495 4.07813e-08 4.07813e-08 25.19905059 17.73361766 13987.26447 11374.43753 8186.628966 8615.82916 9115.034696 7333.923748 10752.84823 8034.552082 9971.574186 4.07813e-08 63.72286698 4.07813e-08 48.82184436 4.07813e-08 0.012192122 4.07813e-08 241.0526807 82.91360411 4.07813e-08 139.0298845 134.2778326 552.7367352 2653.994078 9151.654026 161.9950398 7791.633157 4.07813e-08 1-Methylinosine 333.0301335 61.5152473 815.1242728 681.3418812 809.5084378 746.7684658 759.5189715 1350.360367 1547.202371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 976.7334558 863.7241275 494.1116722 176.4833995 1735.797011 2413.186544 511.2829173 4.07813e-08 958.4651726 4.07813e-08 4.07813e-08 36.80409571 4.07813e-08 129.7323576 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 348.9026343 672.3601973 3525.821212 1100.488694 1031.550376 6421.137358 4.07813e-08 4.07813e-08 3697.295609 711.506036 993.8594649 949.6956043 663.8826363 4.07813e-08 1510.271296 4.07813e-08 1693.24642 1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 863.7244483 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 876.2731982 1087.840239 696.3351864 1276.008536 286.409213 4.07813e-08 769.5941341 3618.666693 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 249.1499873 4.07813e-08 307.5029917 4.07813e-08 729.2593503 4.07813e-08 549.8384086 1306.417617 1367.097326 1135.744409 3777.571543 440.8893635 4.07813e-08 4.07813e-08 1331.87499 1289.071432 4.07813e-08 424.0387507 5,6-Indolequinone-2-carboxylic acid 24639.22952 22259.22342 25811.75395 17191.82924 22628.12484 17444.30086 18609.29225 18038.46211 21895.08973 16584.90497 14904.718 16225.8924 14747.35978 14400.83655 12412.13935 18086.63203 17519.01549 16973.16178 17469.96576 17077.28031 13558.81964 15770.46275 18467.40542 12818.62678 16361.06387 20814.29123 21921.16285 11444.66572 13137.52109 12053.06619 16581.91007 15200.41443 13899.05005 14020.32243 17999.14127 20146.79161 14615.87698 16843.99432 16746.03107 15141.22613 16374.46349 15711.71346 16736.86754 19054.01653 17270.45437 13497.16389 14159.45934 18566.76276 16564.99719 14601.9684 13914.07609 19123.66225 17702.90833 18749.46635 10-Undecen-1-ol 29845.77001 25028.62808 25424.66761 25414.67631 24989.57819 28683.20269 27571.76757 27958.7006 26839.2977 21147.29366 18625.23832 19950.78151 19214.89771 26859.44 20580.79152 27304.39371 19133.73547 24585.02258 19058.8316 18993.73721 17512.31073 23201.09539 23015.55903 19838.85819 20865.10588 23956.23855 21078.19758 18239.89507 21962.58991 25363.60609 30125.84764 21425.60523 20767.13071 20050.3832 23238.30266 24607.62463 20518.89832 24845.84643 22475.84826 19781.95106 19122.85786 19015.47529 19561.49044 23362.93762 21153.82354 27283.72818 26212.51365 20929.53057 22293.16049 23204.26721 18012.14151 20703.99552 22473.04223 24887.11848 2-[(sulfooxy)methyl]butanoic acid 3577.71406 4127.941443 4797.696773 4118.287333 4552.862951 6229.872043 3078.10678 4388.146291 4852.467597 2946.123259 2546.845219 3482.866941 3633.907115 4212.166235 3636.048785 4469.268076 5192.967456 4726.84404 4935.814645 3107.320183 6188.988067 4116.117684 4233.645892 3944.184272 4965.28841 6482.49713 4260.340864 3046.636946 4956.32528 4219.841791 5247.076094 3273.767313 1133.054443 3981.222845 6549.657751 8017.832056 3384.861851 2880.205886 4263.61968 4038.430278 5283.619661 5247.888672 3717.596886 2538.507517 5379.647396 3402.464352 4029.218253 4994.452047 4639.514965 3821.621255 1899.754691 4074.60397 2198.31042 4824.563035 8-piperazin-1-yl-Isoquinoline (hydrochloride) 4.07813e-08 4.07813e-08 273.3876305 4.07813e-08 533.8964966 4279.10863 671.0030275 877.4237324 265.9112957 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 285.54837 4.07813e-08 3747.426196 2884.908343 4232.431285 1271.186074 4489.678522 4961.942487 2127.83199 448.8414352 1214.761545 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 480.5448869 268.9066523 1995.705243 3041.345569 473.4044601 3962.235581 4595.597814 4.07813e-08 3319.272869 10346.96528 3132.68332 2204.803908 354.9840255 368.9798002 4.07813e-08 1712.093536 4.07813e-08 298.0370026 Menthadienyl acetate 4.07813e-08 257.1036755 1372.075561 853.9994502 336.3432827 2264.459487 1238.116048 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4139.70486 2689.184376 5354.052938 4515.57711 4070.832773 5164.590021 3855.132436 2798.900658 3043.828913 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 212.6902192 446.501563 2948.08094 2799.620151 1383.649495 4873.437248 3441.169432 2105.355126 3763.9059 11488.75597 4761.713575 3025.276914 948.3397385 4.07813e-08 4.07813e-08 1785.897007 4.07813e-08 2691.623204 3-Methoxy-4-Hydroxyphenylglycol Sulfate 5726.516921 8988.942748 8127.174791 8014.719412 10198.46631 11189.30387 9165.695701 5048.669943 7168.209696 8276.929576 4623.921767 8814.300637 8917.256165 6468.537963 6466.210542 8842.470043 7378.287605 9184.525766 7423.162193 5678.060339 6926.188558 5286.454036 6963.238238 8628.084349 8571.986284 7889.047043 4458.376373 8082.391286 8674.936651 4071.709515 8685.825003 8588.282156 6267.261817 4458.003224 9370.282464 6122.83608 6674.615959 3914.15637 5467.247921 4671.24697 7558.131357 5350.733854 6459.284062 6527.604112 9366.310846 6402.588966 4252.294419 8208.028035 8439.003322 8371.231875 6430.058604 7390.319835 6225.036295 8532.946916 Hydroxysalmeterol 6019.235578 22968.81408 54166.76473 38229.85025 37202.27726 80149.86727 53768.14769 48460.33299 48879.92639 432.4935883 280.5327477 4.07813e-08 221.4806359 340.8997972 4.07813e-08 499.2812277 49.45488672 4.07813e-08 78208.20815 70275.15136 55705.80605 38789.40689 45361.33824 43895.57691 43705.07395 28248.6267 8980.531687 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 153.0608152 40701.90017 15150.448 45380.25704 31779.25507 42659.98066 28674.13507 33625.30444 23656.35353 7317.759475 138138.0042 132724.9545 92708.82659 40232.58525 23528.5707 862.1479646 73483.97238 152.679561 57619.57905 3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al 321.3566545 8832.115289 18479.87074 8053.694659 6534.678245 18052.29322 33991.33625 3225.782581 3947.310241 13445.31275 210.1252171 53937.40437 10087.75748 13826.13917 69341.71218 20216.98318 12134.29126 22840.57841 23729.87917 5000.429193 24305.43068 20519.15769 21648.17401 15028.48579 14960.25383 19373.28388 2368.331891 622.5240096 25897.38222 14571.39357 59682.87376 2607.444247 5903.646144 109650.4296 226.1982095 8286.203105 15787.41076 21982.09435 38849.59572 11090.34241 29367.53016 16372.70253 9693.151075 14567.06406 499.3290137 20715.26 35351.23716 53250.52631 14108.6079 6980.237373 14904.28445 58033.80023 18652.33729 842.7637018 3-(8,11,14-Pentadecatrienyl)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 36333.45865 19740.50854 4916.006273 23975.15676 4673.550638 9391.36099 13211.73528 9597.620433 14670.13702 99.07912841 601.9537812 4.07813e-08 4.07813e-08 4.07813e-08 328.564319 4.07813e-08 3447.037939 4.07813e-08 10422.62265 17042.11976 8084.221734 23014.54588 12047.64797 9035.922897 10319.8328 13059.86882 6300.883949 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1627.517496 4.07813e-08 4.07813e-08 1279.239002 4.07813e-08 4.07813e-08 4.07813e-08 8064.723712 4.07813e-08 40478.9037 4.07813e-08 7-Ethyltridecan-6-one 29205.61584 27001.20719 26028.63587 27000.16514 26766.84739 28717.19813 29319.83533 26310.29494 27000.86972 21952.96399 21198.24479 18811.80851 20559.17286 27743.36402 19475.90957 29123.11089 18847.21546 24922.04186 17498.66636 19921.50874 17218.24292 23296.81307 21166.29261 20721.8018 20822.07038 23055.11478 21768.95045 17642.40832 21611.24126 25052.10453 29425.66652 21007.3062 20840.24181 19274.00084 23064.30307 25692.10265 19869.58041 25367.82949 22762.77883 20366.48371 18778.7345 19068.86597 20987.86443 21763.16051 21820.83176 28782.72038 25758.4979 21183.28794 22402.44412 24283.08999 16637.60895 20076.0118 22383.87834 24502.62739 Ecgonine 358.8358131 581.937 426.7977271 580.9623633 696.9322168 390.7029255 243.8455377 608.8838926 661.6822096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1236.560484 1244.125817 1365.224779 1120.78863 403.4166835 750.3854516 1127.411427 1844.554074 1202.328118 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 617.6147585 955.623356 1107.380834 1042.069364 1239.143884 828.7912789 784.4551241 1605.982133 1563.52523 387.2992723 715.6091246 614.7475857 830.5630344 921.6700244 4.07813e-08 842.4038219 4.07813e-08 453.2435885 Alpha-Ketooctanoic acid 2595.389579 2582.955131 2676.569624 2278.110174 3299.922661 2671.138221 2551.324635 3699.032761 3151.818698 1355.894267 1452.686938 1022.572549 1893.384781 578.956391 1220.585498 366.0877834 475.1421478 1691.203763 5936.16457 7037.636823 5756.47252 4820.698885 6521.807687 5887.690664 5043.893414 6885.469653 7243.539746 1258.795024 1656.050659 774.4557212 1486.282581 1883.820958 1323.762321 2002.465364 446.3685258 941.5171666 3800.451329 4801.270371 4441.647518 5627.920531 5298.867848 5481.673815 5118.145403 6099.838433 8522.057401 5329.635398 4288.58516 4266.645124 3876.225302 4506.07347 2244.523731 4163.883191 1311.613207 4166.888244 Stizolobinate 3038.57295 6016.328747 1471.86294 3636.105226 2001.916022 575.6964583 3154.199935 3149.953317 2152.730089 6138.325754 4741.852777 6491.194793 6447.441599 6675.782017 8463.141278 5374.208857 1156.958888 8733.617362 1330.588239 1445.038186 1528.812788 1388.030124 1797.048258 1597.023143 2536.04639 7667.612885 1548.27108 10289.61413 4789.549563 7424.842056 5161.662008 7241.540719 8222.295538 5491.500881 3983.339554 7886.946209 7227.111575 1014.185153 1400.826505 1610.209399 1966.302944 2962.953118 1377.29543 2707.534999 3477.333463 822.3898118 938.1852694 1956.484374 2458.334546 4692.24757 3750.004494 2085.202558 3693.467252 1972.78907 1-dimethylarsinoyl-decane 2782.736472 3231.849687 1888.421968 2917.418993 680.0480471 2018.507582 3021.570218 4268.977964 2330.760009 875.5301576 922.7548338 608.0428309 1201.234227 243.7592598 1224.368462 552.2019007 768.7190764 308.2916341 386.5025401 392.0460771 1338.776174 423.8218153 255.6704759 278.0282416 418.0654278 927.4570894 460.34939 524.220118 1033.124846 204.8993222 1362.003318 604.5524635 668.8082025 1151.89656 999.3830019 372.9017585 970.9876614 818.6232612 1450.944052 1138.034597 141.2416327 352.5100877 173.4903338 804.7630975 647.6593413 81.90244444 1760.318782 553.1642615 1305.930543 3859.815389 287.856379 351.550804 775.4862731 69.35071635 5-Sulfosalicylic acid 4.07813e-08 5682.264646 4.07813e-08 36.69177733 4.07813e-08 43.70101674 193.5902257 137.6858012 111.1801116 19939.85552 15339.44299 2206.233035 28316.57385 2151.138314 1704.988633 866.2245294 2723.927217 3584.725005 35.93069101 45.86482928 120.3399345 313.6231744 50.55511458 34.03779832 133.6090315 136.8552135 83.10030445 2217.023188 3217.686882 4658.802372 7434.850611 2825.953949 2465.936808 11614.26214 3778.434176 13731.02952 65.24475957 385.5341639 99.86863052 177.2746778 92.78876487 159.9699424 27.43120917 35.33052487 38.24459882 273.6300796 320.2251359 4.07813e-08 552.4867703 862.0886695 5037.47385 138.0609064 10034.31684 202.9176351 6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole 1521.978048 936.8873959 1215.407253 1012.859805 1161.142525 332.3626927 811.1015939 1028.822849 428.1554125 1038.005074 660.634007 1133.578652 971.7294351 1076.730515 1458.559443 757.5302996 934.3179743 1762.119369 393.2217421 4.07813e-08 665.2754899 52.17242109 4.07813e-08 201.6253624 361.3030085 1050.910212 348.1593344 1831.121069 1843.144211 1315.297167 1734.319889 1839.130135 1440.732681 2143.855588 1090.795741 1136.731251 622.2391108 4.07813e-08 1042.194536 524.3995706 4.07813e-08 74.09353251 132.4031349 802.377136 739.9956543 4.07813e-08 4.07813e-08 496.2645382 465.7838607 1070.749355 2058.759915 548.6419674 1131.36874 362.722964 Ethyl 2-furanacrylate 781.8605231 1998.34615 1343.827587 2169.182104 1575.884922 1297.730738 2151.537302 1872.419574 1237.406541 1516.466201 1273.14361 1710.043713 1710.588133 1969.084909 1112.179804 1296.406394 1091.50355 1688.463968 322.8965759 304.3312024 389.5551391 353.2009891 286.6189745 173.4349961 351.7291074 259.2614051 498.8585912 1357.931312 1699.051062 2078.695463 1327.098696 2481.270801 2179.176192 1926.053827 1404.692397 2280.739134 1078.096701 391.2095452 421.3465336 142.8060101 420.8823941 665.5394009 142.7949647 480.7089519 769.8708784 365.4115379 161.534169 658.4302101 1181.16114 1141.440557 1701.967706 835.5937026 1702.129256 1558.758956 Marasmal 819.2781624 420.4279197 181.2012609 78.39338206 669.2505536 433.9426024 368.0528733 2420.314543 1143.160126 9.143493464 0.246957926 2.200037428 16.1549258 8.513896846 4.905106516 0.007359524 7.794844116 4.07813e-08 2682.055838 2141.578389 1661.102412 1619.265172 2340.837399 2807.568954 1929.037169 4284.721865 3267.951015 1.1683e-06 4.07813e-08 0.006898531 0.107592756 88.11156538 2.346226802 30.62401532 4.07813e-08 4.07813e-08 624.4267998 1857.414397 1668.864621 2307.85391 2229.154667 2451.194045 2826.218326 4286.372156 4805.260787 1458.81722 1003.630846 842.4502958 1125.68185 879.3300559 72.65570432 1058.571583 8.365668018 1410.956428 OLEANDRIN 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16438.88882 19951.61604 16406.00274 16165.02256 9007.884965 28142.18616 21518.57646 8038.866712 12098.13949 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7943.822164 25137.87289 6257.163636 20671.25172 7187.975158 15218.00524 24655.63456 10838.82766 11346.05475 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12284.20644 4.07813e-08 3851.278575 4.07813e-08 Glutaminyl-Tyrosine 1119.868603 710.6152011 475.5832978 764.8010353 735.6125343 557.8220615 1042.997807 1639.365636 3175.100697 594.3112042 502.3442657 206.0558086 637.0824589 4.07813e-08 185.975777 262.2819377 520.0792287 324.1431979 337.894572 332.8527065 488.302293 195.7986841 330.3656403 330.829301 425.3982555 737.4031737 635.5585328 252.1490968 106.4538456 107.5904336 293.9267768 272.880771 333.9115748 892.7525666 7.947912937 57.12167356 552.7307802 292.8404395 572.0371085 284.1947427 358.9891724 362.0508735 202.1432157 520.8621155 584.0432217 337.6957484 743.9473562 535.7143667 895.2864809 1491.077127 298.4032274 712.7747652 108.0955022 331.3746938 6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane 821.8571196 755.2841541 958.9238432 614.0369875 1161.981734 1054.118756 752.4647929 1300.855488 1167.30176 64.42400865 98.39826269 103.8077324 202.6790059 47.49232552 152.2826096 54.09994674 19.07353497 209.6149575 1848.066657 1898.615755 2056.636785 1864.114503 2335.476802 2149.170403 1811.292526 1887.874005 1986.186269 80.41021546 168.6998915 103.3682835 63.70661448 46.28237511 124.7719271 143.8316852 201.1256543 66.96507232 1123.973925 1370.242068 1412.740233 1945.091825 1970.822239 2112.12966 2067.704357 1919.15555 2615.117996 2173.142351 1578.319405 1383.612727 1388.407969 1345.343776 169.9356078 1420.839145 240.6659259 1606.359868 DIHYDROROBUSTIC ACID 942.1404971 2467.136463 1012.486979 1750.848678 1706.794463 713.4212777 1116.105111 1864.254452 1459.166751 4362.656096 6646.683805 3455.928369 5317.87602 2211.25049 1871.549294 2825.622816 6465.87161 6254.502118 3105.721788 1938.381198 2445.137709 2183.540449 2876.834525 2098.877854 2516.74921 2060.897622 2272.523228 6517.496815 5511.809207 6599.607199 2079.449222 5409.843219 2702.657763 5961.917743 2750.704792 7251.061546 2090.347686 1257.283639 1653.509491 2172.849187 1969.683235 2761.326595 1814.433079 1930.467798 2800.038305 1203.989027 1075.985895 1850.475386 2172.729935 5047.06073 11001.14199 2453.597521 4180.563241 2228.694094 Zileuton 363.3811006 558.9202996 511.610286 630.2744549 696.3195588 592.0174982 428.1108863 266.1855184 440.1173794 185.1341218 263.3611989 215.1450475 197.4164397 89.96316215 202.0789232 57.22435824 118.9559213 205.6789746 1150.408347 851.3090109 996.4921672 601.8635799 868.0771919 918.6216657 775.3373189 839.7443182 1041.76895 162.4060778 301.594943 43.99026974 297.5159155 204.8927042 269.9378645 474.4448804 53.71605166 165.9976004 721.6165381 469.6187133 724.5063602 548.7054713 846.0456557 865.4070163 816.9427621 841.785848 1099.634747 1651.784436 808.2431308 772.955072 838.7255919 676.7699493 282.854596 770.5181767 125.3903281 1129.305365 Dynorphin B (6-9) 281.0863427 905.2835761 200.1715225 2209.183216 1187.858922 1774.421914 382.9310159 2106.397133 2229.727311 4.07813e-08 4.07813e-08 118.4015672 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 286.8286282 4.07813e-08 4.07813e-08 4.07813e-08 1273.949083 4.07813e-08 129.8270086 4.07813e-08 4.07813e-08 4.07813e-08 122.698437 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 751.2274403 4.07813e-08 165.1346514 4.07813e-08 2148.742049 516.7213283 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 421.609087 1816.733547 8192.339902 4.07813e-08 317.27809 4.07813e-08 164.0481471 Imazamox 4021.841408 9425.890913 2951.246332 3563.193816 3857.233441 3658.472437 5498.303007 8520.272206 12005.57492 9115.780823 6649.950977 4315.228998 10505.66769 3296.740498 5092.029469 3206.335913 7295.138456 7374.224012 3238.420282 1595.286867 3699.745501 1430.752938 2798.543131 2112.007399 2231.868646 1953.990382 2306.218943 9082.626848 6045.53781 5025.791062 4652.118809 5974.247363 6285.487748 5954.093063 5706.30824 5071.877418 2914.148087 2326.268959 2979.927474 3416.622866 2128.796503 3143.70664 1473.725697 2214.541144 2057.444146 2207.551643 4991.466393 3031.816056 7151.070254 9781.244118 8213.728562 4423.329069 6809.250823 3001.513249 Boc-DVal(NMe)-Val-OMe 1453.184982 2380.156071 1163.277309 920.5135102 3051.466177 1222.642552 1986.957485 1428.095656 1025.784554 255.2560852 1156.081132 461.4778045 359.350466 279.0857292 2611.664276 603.9493199 225.3510868 175.5047469 1460.224738 2761.748993 1866.300069 1001.10991 1932.836114 1444.497272 1688.407169 1173.171425 1626.884004 268.761097 410.1898828 481.415232 94.62651091 609.1937493 421.8276436 398.2288574 76.26899668 347.6874484 1086.273401 1084.590002 1031.487297 1189.283703 1187.858751 2064.518907 1604.023497 1023.657068 1358.334974 1511.725581 1032.409914 971.4742571 1218.328413 1142.050737 338.9497061 1515.847835 369.0901841 1606.423698 2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid 269.069339 509.310185 393.5195887 585.7344009 535.7779895 1053.063886 784.1485732 260.6327908 282.9691238 269.5531019 262.2181264 500.4951371 277.2900243 578.8868283 344.071683 283.5522969 67.49341888 51.09883487 1123.253179 827.9951177 713.2760172 809.5876951 1200.745723 917.3010978 695.6007645 1077.661942 1085.695032 128.8562131 191.0611762 564.1948672 411.5651634 37.86595224 372.0308419 377.3440251 97.4006024 104.4872579 601.8921402 978.5250711 721.0449938 694.5807288 658.8723638 844.0626731 593.083591 903.2997698 1157.754916 1259.949063 914.9064753 767.9056462 607.1428554 845.8983063 404.904061 497.8547404 113.2951616 666.5952906 IPRONIAZID 530.5406481 510.015097 380.2320926 305.5192131 264.0422805 399.444941 462.2655635 697.2820704 807.8043072 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 479.7156797 578.2101697 434.3667508 534.8094798 461.500569 738.4289408 537.8283008 899.3712045 851.737703 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 164.6564629 575.640627 508.60908 642.2183304 604.0930199 519.9194066 719.3487013 773.7282356 1019.647737 408.2994505 327.3803462 351.6179205 426.6138045 324.3326013 4.07813e-08 407.9495821 4.07813e-08 282.8389966 Dihydroferulic acid 4-sulfate 172.5208031 199.6204541 194.9629776 178.4856675 173.7661995 124.929274 133.3614503 113.1311365 235.5760631 258.8918426 245.7606168 261.7241501 363.0513205 211.4189147 154.161866 245.788584 212.6388633 195.2359351 102.7721999 67.87794469 41.21552191 105.3603157 130.1551955 203.4818497 151.4180028 82.12328418 145.3924668 251.368503 478.0442 249.1211799 249.907538 439.9706067 6737.213048 301.5261127 214.0526285 443.1085303 165.2414689 59.18404563 36.82311562 121.0629889 106.0215698 82.4806732 83.52712583 10.63144718 115.6726482 59.4967124 171.2761377 221.1069623 47.37270618 155.202407 178.5378359 291.1774179 450.8793963 213.2602695 Methyltriazolopthalazine 2401.58582 1519.059654 2180.365874 1932.022299 1805.147123 2089.015818 1940.055958 1707.185424 1674.19322 4.07813e-08 16.81626278 35.89929266 4.07813e-08 94.16524743 37.16765826 45.7763941 34.56621135 4.07813e-08 3128.943121 3916.729842 3102.004698 2322.167132 2447.693184 2844.519106 3443.552719 4484.655448 3017.39497 19.90766149 16.53357593 105.4661014 18.40465869 53.06556338 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1383.09194 2769.795683 1719.344964 3007.042664 2505.629941 1377.661322 2882.040751 3511.657934 6014.983872 2024.986862 2494.323426 2205.487504 1360.659172 1335.084827 17.1973347 1792.813664 4.07813e-08 2202.20004 Isoferulic acid 848.5390975 1336.112383 1499.009624 5075.802401 6467.781581 1087.673428 982.359886 725.2889879 445.2350118 474.6452138 565.3034227 1135.449964 280.5061936 399.255477 609.8696455 499.8209152 1961.017275 200.2708922 902.2783822 1119.611487 1900.739334 1943.823953 5736.406161 760.8754038 1983.772612 987.8495616 2348.151544 607.8649772 591.4438366 1630.70982 847.6390449 685.2633184 909.0642896 1040.735432 1106.133999 387.7395399 1427.546636 1023.486652 780.361169 3050.846305 1199.80798 3599.78868 996.0483564 1307.677392 1641.99871 329.4932039 299.533231 1003.372278 1766.437476 1992.723147 1396.877831 2315.414739 780.5057259 1129.299565 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid 240.9642948 675.6875452 136.0546209 274.4661622 736.9875842 549.3500284 705.1625924 740.8613804 479.306919 1048.635302 1099.290272 3020.745202 1297.600227 6272.061126 1190.270708 2367.762381 3035.63925 4268.282359 41.84779268 91.7970053 117.180069 219.7192585 193.0375785 260.8553798 127.9602417 87.08475446 103.3553971 1123.635753 1550.646705 3805.183375 1431.885315 1838.770004 1902.623193 1631.212257 2629.897382 4956.812231 1116.716986 28.39101169 103.34829 137.8386423 41.12510257 67.40139601 281.8452394 24.34708355 162.7297606 327.1406555 244.8558946 282.0194444 248.6854793 198.4182319 2215.668416 691.3054782 1584.119388 712.6228504 7,8-Dihydro-7,8-dihydroxykynurenate 1823.904139 1843.917928 1374.460234 1916.903139 1746.58225 893.2167958 1116.178577 1128.288867 1063.10811 417.8139184 359.6908473 272.7566561 312.1179397 302.5367108 223.8930143 157.8691547 43.83132155 730.7561755 2301.979642 1725.33643 2265.260511 3258.264772 2185.902426 380.4722064 2380.166125 4081.540047 598.7167015 46.35050429 235.3119432 466.3491275 459.9609657 936.6370938 300.7211349 283.5558172 111.934872 407.7026489 3360.828379 1401.251694 1974.227783 501.1545793 2469.793533 3349.817087 279.8878124 2211.36225 6774.303092 257.0203827 813.4672863 1008.35035 2457.846356 1783.570558 763.3134308 956.9642179 815.6945731 988.9394923 2-Hydroxy-5-methylquinone 519.8181765 776.563391 705.1937671 398.4294845 598.7766756 1128.464446 859.9212689 626.8661705 564.1847387 132.7319239 157.5899546 112.1882795 160.8030213 720.3523353 383.3458731 456.6933511 172.1581573 272.4282608 615.8808998 852.6961629 1063.701203 1078.0145 945.8618763 1131.89914 875.9280362 929.3278156 1143.844775 98.9989578 55.58458638 367.3758549 631.0812533 182.7050061 274.1069261 113.6413588 119.3946259 250.7840427 365.3879041 1181.798423 873.5548941 929.8102275 841.9242675 844.332477 884.507266 831.8734033 599.9025302 2641.29928 1445.508303 946.6022189 792.4750475 1191.366027 227.3956226 816.9479741 249.0037562 670.5264873 Sucrose octaacetate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3074.771089 2692.873224 4146.092698 2113.843719 5709.522814 2227.225527 1773.347678 11736.78443 334.0155918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4181.688483 3992.038066 1910.121106 1207.15874 2492.186524 1260.329964 1721.443402 6246.77577 939.4661554 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1366.527373 4.07813e-08 4.07813e-08 4.07813e-08 Orellanine 4.07813e-08 4.07813e-08 2.260608959 13.09262074 13.29778686 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1617.066586 1716.318558 1980.619444 1684.621051 1860.655589 1638.903139 1044.1678 1541.420319 1100.702094 2.937558799 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1576.175392 1265.595057 1793.168737 1721.343431 1704.921221 1458.751019 1643.170461 1329.209445 1924.670708 4.07813e-08 23.26792027 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21.12223752 4.07813e-08 4.07813e-08 4.07813e-08 53.28878327 4.07813e-08 1732.92333 4.07813e-08 1861.817744 4.07813e-08 Dihydroconiferyl alcohol 3605.729806 2913.059885 3646.268382 3120.529147 3452.422688 3234.526443 3346.862674 3595.277164 2912.392998 1528.219198 1356.788398 1280.071811 1477.419041 1373.724697 1443.510815 821.5653841 714.5185444 1521.439634 6074.563962 5449.454336 5508.491774 4610.851815 7005.575002 6696.154439 5609.469949 6015.400199 6520.898596 1442.263768 1829.846685 1310.235673 1556.430972 1491.782511 1601.178116 1937.205701 1142.091193 1303.690724 3512.127375 5028.615801 4301.570815 5539.745654 5419.389096 5878.820062 5872.214045 5976.16846 7870.25183 7003.396238 5140.73273 4040.742471 3957.515672 4138.574027 1915.298874 4639.486442 1578.429812 4573.847182 PC(10:0/0:0)[U] 5532.816823 4910.028984 5302.308958 9465.638057 8573.589728 12857.06021 6289.537958 10688.35168 7876.078319 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1533.279847 1524.253046 3576.358163 1605.093668 2717.308733 3090.792964 1770.99704 245.642418 2509.730207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 70.49022967 4.07813e-08 2589.518254 3040.210377 7665.387345 5876.005357 2891.986497 1701.128382 2842.761786 165.1010706 1136.002086 1917.260166 3188.783365 4280.969527 7662.818953 6827.536986 93.85274314 3631.631496 4.07813e-08 1939.288252 Troglitazone quinone 2015.112765 3262.687645 3488.470305 2862.783873 6658.298761 16120.18708 8412.640562 4715.183498 4583.009601 872.7782373 785.4379873 981.1815696 899.9323074 249.9986529 724.6471534 105.6118038 8111.955296 293.3032325 6709.587589 11405.34555 4189.947553 4036.363701 45287.42017 28205.27073 8143.491796 2465.352103 28244.00771 957.2682472 442.9835403 1982.899804 277.1466625 442.3491839 1079.837478 1374.978263 2434.004492 314.5757376 518.4969484 18017.29828 9580.647131 22829.02492 20738.34925 19521.78971 36389.84672 5671.578795 3566.490797 6927.607824 3123.646972 1212.900792 1695.330305 5241.181109 1859.910288 3995.806397 911.5321983 4136.664236 p-hydroxymexiletine 161.4112666 53.49695003 207.8503417 161.2942276 418.8704133 96.16160043 385.017747 150.8191642 40.91924348 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 452.575833 737.8910637 177.5490191 282.8339427 1012.826312 1138.149239 691.65941 423.1043141 815.8128824 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35.73675314 4.07813e-08 4.07813e-08 181.5437785 423.5529936 148.9803233 341.9121304 459.5600195 634.6794779 961.5415507 384.9559929 728.0740032 698.4314475 350.3600146 429.7283137 199.2924263 36.84435066 4.07813e-08 367.6116439 4.07813e-08 573.8085546 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 7370.685539 5494.579141 6894.9591 6445.400992 8290.511717 6974.201576 6792.831311 6688.426088 6165.125736 872.8682633 354.9477956 923.7514277 751.0834673 780.8333105 678.754489 135.4125175 148.6901665 1232.917017 15047.32752 14775.07445 12881.58001 11567.37782 15190.57301 13879.02854 12121.90694 15076.40358 14738.4384 681.8936951 1015.778526 533.6675552 690.6605405 1193.178126 1010.717354 1217.16378 149.3932487 541.214123 8463.215242 11007.06613 8779.977875 12402.18393 14014.41756 14752.18585 11841.14707 13453.70398 20010.12132 9641.457523 8213.00167 8690.764506 7076.965255 5901.275253 1100.322152 7854.295733 640.5977653 9038.546997 ({5-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-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 15853.20024 7049.34919 938.9383554 14289.57203 4.07813e-08 41336.12502 4.07813e-08 20988.82519 18130.3866 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9579.225044 19594.43279 4.07813e-08 23214.68883 20886.52947 14850.32156 29287.74123 5605.935389 885.058467 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14957.29007 4.07813e-08 18288.34959 4.07813e-08 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid 156.8647489 308.2567446 221.0866313 141.6759949 320.1963901 184.7310636 72.46354023 592.8366915 583.7410228 4.593218577 44.36954023 4.07813e-08 203.7348942 92.20434151 0.041312193999999997 0.007321287 23.35247318 148.9661939 1458.938283 1274.667699 10395.59525 1774.988637 1023.345059 1314.472822 1470.754063 1096.056978 837.0149379 8.507412284 75.39064504 4.07813e-08 4.07813e-08 42.01435923 34.82431672 237.4248628 864.858416 81.30269073 981.1237059 565.3885804 483.977076 1760.688124 861.4329686 1531.764797 861.2374685 835.6833018 991.0975121 196.7513858 561.2370133 236.0035494 218.582591 231.8472403 4.07813e-08 348.5210556 103.6217485 344.3618861 Methoxybrassenin A 4212.81994 1567.132681 2430.530187 1804.118832 1030.058977 1260.985909 1517.389185 2300.550328 2150.027636 1098.802567 1025.22644 1621.168 714.573422 2318.093255 971.5640942 1209.326844 3383.789437 4374.406187 5761.548972 7094.96652 2522.044666 2058.853425 2329.3861 3413.646885 4957.715683 4726.008798 4148.833557 2905.738389 1731.332393 3672.73052 1243.225341 2741.263745 1072.605573 633.8488514 1802.756777 2998.216696 2300.976661 4146.342756 1718.366782 4617.199847 2789.282126 2424.079931 2944.076268 4631.11147 3904.347381 2741.400813 2026.390069 2747.257936 2880.028171 2515.872669 2862.397139 2856.719654 992.2489089 3718.844841 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid 4.07813e-08 148.7855394 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5358.575421 2118.87973 4305.423826 4989.78098 1666.675816 1808.257937 1064.811589 2044.297066 2959.210075 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 148.6860331 4.07813e-08 4.07813e-08 5511.25777 6375.299336 2843.616677 7008.320869 2581.968301 1183.062581 2963.935448 2751.166463 2064.373938 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115.9381651 589.9688506 2633.488667 4.07813e-08 7302.303637 4.07813e-08 2-Furanylmethyl butanoate 2559.237173 3372.115481 3287.192573 2835.898011 3400.842588 3160.945107 2233.550319 2388.112988 2017.424984 1321.837277 1459.037274 935.0645874 1243.588674 823.3130122 1145.626379 635.2163893 420.2083794 1411.924441 4043.662638 4726.411485 5584.25738 3470.752382 4537.092676 4146.94018 3969.160927 4543.249092 4206.595647 660.8580798 923.7497128 1256.774189 1112.07429 1011.89469 555.6318924 1507.456463 519.2824092 1837.232524 3150.620081 3393.29184 3728.939675 3988.961255 4131.897517 4399.962427 4019.162587 4586.090426 4285.291356 5169.611578 3242.224134 3304.146179 3640.58775 4915.763892 1008.7948 3822.419775 1080.812169 3313.62912 2-Amino-6-(benzylthio)purine 19521.99577 18089.38158 7745.050091 8092.970258 2071.040931 13880.80297 11064.644 10242.39656 8514.540039 1218.187384 676.0869004 304.9742243 1482.251944 167.3725158 943.7310676 4.07813e-08 1584.460669 3125.907657 595.0928704 985.48764 1025.715208 774.330409 551.8639631 129.6086891 1271.936757 320.3156786 1309.407151 439.07275 1102.550716 156.8571185 503.7161864 747.6968371 317.0677655 449.9155088 59.13307407 113.1450392 7797.182873 588.1010137 784.7238781 864.2928709 809.2754791 1831.404391 608.4095208 551.0568354 346.5864178 934.6747267 2012.62329 5911.319817 12479.03013 18073.15038 3078.331108 4943.257251 4199.620567 5128.028529 Geniposidic acid 167.5791781 309.4493822 408.9523498 215.3885066 251.0901087 129.4492552 298.9495539 4.07813e-08 238.0764697 6191.886768 3612.000805 1563.781235 5655.35213 2300.792758 2362.485358 2067.902656 2231.79319 8040.767398 1460.900279 2414.376141 1758.375955 1187.651111 1862.058583 1609.339565 1222.599316 468.5331676 1569.469297 6172.169469 4639.014188 2166.317662 1888.023765 726.6818661 2817.00716 4493.838794 2735.981017 3684.770724 615.6224399 1341.944099 1315.446974 819.4533273 2066.75823 2005.760182 1582.04812 218.7832131 2678.667994 1374.555955 589.850839 1190.233835 1754.566667 1014.494031 2339.371784 811.7163884 1484.237407 996.3278214 Proanthocyanidin A2 4.07813e-08 186.1068249 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 170086.362 110308.53 145903.3797 166565.0052 126899.4534 98529.32654 245443.4816 317755.4718 45054.66403 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 144.1785788 4.07813e-08 461039.8545 83948.1101 140386.2835 95205.28447 154734.3621 176037.3733 178138.7515 288617.8878 270474.7667 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.00040835 4.07813e-08 500.5882396 4.07813e-08 4.07813e-08 0.080726678 107265.7857 4.07813e-08 61370.21979 203.7566393 Zeanoside 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 5003.905444 3555.620351 377.9802644 6233.754157 2.545840256 3031.122318 2081.14853 5808.073645 4727.048836 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10294.6918 4275.892425 786.4392296 3395.715953 5195.488787 5188.574366 4250.810874 3563.90291 667.7337171 131.921442 0.320066127 4.07813e-08 4.07813e-08 4.07813e-08 220.2004249 4.07813e-08 4.07813e-08 139.7697158 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4109.907025 4.07813e-08 4333.608636 4.07813e-08 Methionyl butyrate 8141.698893 2991.358324 3079.730331 5135.202583 2630.605178 2827.5376 6991.891082 1913.613459 3172.242771 4.07813e-08 37.54729329 4.07813e-08 87.40331722 3177.325394 303.9456719 526.0015082 4.07813e-08 845.5279674 5369.997593 5115.243353 2814.116287 3165.566809 6261.025837 3652.955884 4070.643851 2602.698284 2569.315475 4.07813e-08 4.07813e-08 4.07813e-08 21.27984005 349.5829028 4.07813e-08 851.8160464 43.00350132 38.62013049 3736.891999 4093.812521 2299.03551 2140.939014 3686.761619 5559.959179 3488.13291 2213.369348 6368.549205 1708.602246 2063.792518 1639.185249 2050.025793 1479.542301 4.07813e-08 3139.725487 4.07813e-08 4035.078626 3,4-Dihydroxyphenylacetaldehyde 372.9114882 789.9381391 593.3260457 414.8429714 964.0737601 720.9037679 626.8906002 546.6091026 451.0896874 102.3690951 195.0591903 56.15980483 157.5910403 68.16430107 163.5178812 88.85222636 4.07813e-08 213.9982393 1272.547907 1284.794397 1498.323137 963.0580202 1756.26441 1348.218486 1410.781535 1694.079403 1618.42006 226.5688071 155.411813 48.17416967 187.9830037 393.9751759 194.1626993 214.6925419 79.40415542 188.4098858 979.8948442 1296.959762 1205.609221 1138.370071 1103.811764 1459.765616 1267.951219 1410.879194 1552.741957 1781.311586 987.7759307 1064.447761 920.7189602 1382.387447 129.0132109 1021.297644 140.8553596 774.1317061 (R)-2-Hydroxycaprylic acid 919.7687814 872.4876435 1274.973772 1271.524109 1344.091049 1388.104532 1094.274851 634.1010385 471.0555832 724.757859 805.268038 666.1684927 701.0563624 1017.405469 2293.552975 504.6296463 324.5048412 640.9315784 1251.264431 1097.145164 1139.898955 1442.015371 975.9045749 1108.555848 1142.996956 1205.796045 1075.711834 436.6739945 678.3702083 556.8821693 298.2131876 670.3488333 597.5661314 572.2916373 807.9334533 875.4836704 1093.357834 1349.563101 955.2118112 1037.083546 880.8062082 1036.898607 1356.095619 1030.191218 1032.193984 980.0053734 736.285971 941.8699394 826.5295559 756.3837471 403.9621791 829.964392 515.6321011 844.2370578 Epidermin 13014.61954 10516.02425 14811.39726 16198.43826 13142.4783 16351.15122 16459.15527 17445.29268 10225.76747 304.3636488 156.6204409 136.6731263 209.6021531 61.18940571 0.430424826 4.07813e-08 4.07813e-08 91.46403412 23051.37541 22491.93849 21431.38435 22211.66479 25948.27999 18684.74252 22279.35942 27399.32865 20608.99637 261.7022186 313.790904 87.31071426 213.105968 248.5509663 215.6624763 350.565034 4.07813e-08 210.9819927 16734.10116 18246.58894 17618.15668 20534.76745 23046.59563 28342.61095 19208.15281 23930.11533 29789.78303 13339.29601 16225.79554 18694.56797 18167.71977 18899.04079 3675.343319 18072.51745 246.158204 20012.02644 Isovalerylcarnitine 539.5486679 178.9817484 820.1526827 518.5491912 611.3696538 481.6164832 344.5811176 334.1326473 348.7336763 4.07813e-08 85.11694853 4.07813e-08 40.35997435 53.65323202 309.3913887 4.07813e-08 4.07813e-08 4.07813e-08 797.4539081 1155.123517 932.711403 1286.774463 1209.687277 453.5926277 879.8391808 1440.013121 2223.549601 141.387035 4.07813e-08 4.07813e-08 190.4497469 207.5333689 61.83540694 4.07813e-08 101.5361995 4.07813e-08 448.8561118 926.4736987 1160.6426 1129.857035 1248.065272 1160.630072 666.6073539 1172.798524 2105.933497 1029.646026 1031.803666 1770.075076 817.4832305 692.0129681 4.07813e-08 1000.849915 108.0311149 697.6309074 Tetrahydrofurfuryl acetate 604.3310662 610.6122847 721.7577875 983.4787271 583.3418568 1393.904354 457.0007185 691.6542062 577.9541862 4.07813e-08 62.68514977 24.30305989 33.41586419 4.07813e-08 4.07813e-08 160.1146722 4.07813e-08 74.68289864 1313.68785 1074.869916 770.9847118 808.9683709 224.4503491 1068.430897 594.2168854 2083.521416 1098.820192 35.70698326 40.31249386 79.30603492 184.4516557 77.15567885 114.2026606 221.8948457 344.3934028 117.1444198 704.0928297 968.0217693 900.1311259 406.4353432 867.5105726 467.3258717 1022.929133 2710.047943 1033.334611 2121.661328 557.7909283 942.2628304 689.1838268 474.5459179 4.07813e-08 970.1569711 91.09638213 1229.252457 5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone 1545.189162 297.2375202 853.5561015 705.0440947 1676.846884 950.6012271 1189.783341 527.6465398 1014.878946 494.8749616 963.81086 752.6328824 711.8280875 1039.832796 1076.145781 357.0830783 6338.89612 3413.452424 1941.26509 1557.792776 2162.164621 1860.468316 2320.324026 1790.245461 2305.697858 19657.48944 14690.77699 1947.231564 1151.5756 2972.394164 711.3323421 2307.303324 1238.680975 1567.683316 3280.610083 4543.946611 1214.721582 1183.561879 1372.261191 1389.477611 2516.695313 2279.901673 1168.886109 23732.82058 6567.490735 1425.218329 1503.321801 911.0015903 1253.325888 1303.513584 2659.982911 1088.113654 9700.442586 1239.157941 Pentyl 3-methylbutanoate 371.2498763 182.3333875 686.7813887 1234.783575 1032.793498 1328.864135 457.4659086 1417.303635 1051.934067 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 940.7986831 928.6630239 1523.04574 2127.671693 1283.796137 1611.639285 584.39619 1193.737065 1285.200388 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 329.6148622 928.4876541 1501.628672 1013.968769 1882.415006 1844.821334 2003.452076 1191.478485 1360.275987 2768.114607 1224.517059 2034.288308 881.7696808 1277.869485 4.07813e-08 1838.809568 4.07813e-08 1811.088608 N-acetyl-4-aminosalicylic acid 860.3438819 1531.013306 727.9669762 1195.081496 1118.277381 1095.795603 1397.03278 1257.093979 704.2950329 1691.388002 445.1936208 32.27984119 2509.150782 35.08580907 27.26466095 4.07813e-08 4.07813e-08 94.83399228 80.62757718 340.8052477 181.1706805 45.88242169 91.12404998 169.5245439 291.1502742 88.69868436 278.0427169 65.56070376 91.14030618 39.35393537 599.8041634 30.80765788 4.07813e-08 744.9715565 55.77065741 218.957217 322.7519251 526.3938774 221.5010737 243.5300231 232.5309107 250.0517939 199.8327454 236.0796987 111.8458775 298.5821814 213.9563766 308.4562749 575.3010192 688.8355097 279.6123807 348.8055278 210.2156946 681.7467263 Flunarizine 4-oxide 295.9562476 1572.507701 437.3739528 481.3542265 1055.779152 588.4767157 2618.963938 779.5889099 1164.460102 21960.27253 41684.57998 18508.43533 19950.19319 18125.43361 28739.57881 134954.9689 53869.16777 16354.57099 1241.678913 79.70197627 1131.997739 602.740865 1904.532917 1074.436925 481.7530456 2730.770804 1017.733229 40285.38643 19860.28556 33770.51846 9681.159997 43014.10086 39709.42866 32784.50569 23860.39568 13380.56873 927.8839333 1.28393355 937.7359661 118.9389055 814.5096837 1397.140632 464.7445176 1977.774046 635.0400039 172.0319785 2186.212037 473.8020543 1821.03084 1434.539978 79054.17803 2223.240699 213379.0395 4781.906325 2-hydroxy pelargonic acid 2988.808436 3435.184753 3043.523536 2167.352505 2961.885071 2456.809671 2493.936961 2449.996426 2554.514441 1920.285103 2409.640296 1085.498011 2163.415179 1550.25786 1637.50897 1005.140085 645.7671614 1525.326357 2317.705493 3173.367412 3222.7732 2479.58847 2979.449256 2618.360549 2674.302766 3096.068064 3493.122081 773.4173812 1341.572846 1490.551734 1768.478228 1440.298005 1360.576146 1608.794121 1151.358766 1884.000445 2328.386469 2306.26125 2507.241365 2552.50147 2120.646629 2955.097869 2304.62003 3020.154527 2594.365624 3090.606553 2906.397839 2470.426916 2790.583994 3765.6276 1427.887735 2826.366488 1130.081585 2678.867688 Curcolonol 5876.900346 3494.873423 4145.568082 5207.47017 6319.895667 6361.04419 4929.513926 5573.420435 5083.045165 761.9110986 568.3729726 779.8516988 1214.503256 546.4230554 244.7259431 500.9253803 1494.191201 3007.477404 12073.40779 10488.52488 10669.48225 9371.009124 12821.6622 12030.50507 11217.72608 9731.42456 8891.074162 920.5241327 1389.267067 2047.440615 3112.932789 4992.052462 1915.202726 2071.164403 695.4828472 5451.635151 7817.98839 8280.368557 7500.420474 8971.074709 11833.86618 11645.13924 11346.90211 9054.97555 12595.13544 10520.45022 8951.173182 9202.7202 7189.361043 7087.092384 2308.839895 7684.89276 1166.299451 8340.855786 Normetanephrine 4.07813e-08 224.0205899 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 118.612906 64.54553345 4.07813e-08 1748.553283 1256.747103 1274.520039 1458.369292 1127.789627 1290.619365 798.1837776 1104.887358 1399.683736 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52.59249904 4.07813e-08 4.07813e-08 1368.800982 1265.884053 1010.800303 1151.741624 1341.538468 1280.622903 1586.88262 778.6558853 1223.239092 4.07813e-08 1.103363652 1.481027029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 48.21475994 164.2599845 1591.414588 4.07813e-08 1025.77633 61.88172687 Leptodactylone 2976.410925 2898.81271 2896.036301 2700.792024 2816.841181 2812.878985 2492.216963 2270.780676 2575.853308 2097.71899 1686.614862 2350.815783 2147.78169 2567.255892 1576.415913 2573.630302 1411.048436 2355.637051 1681.927003 1570.494058 1663.3949 1640.516552 1344.913693 1669.357466 1876.379364 1950.557267 2258.142414 1795.748087 2276.107559 2006.18572 2275.249466 1830.234423 1983.793876 1718.037534 2345.155815 2661.309956 2133.898757 1589.009606 1812.719785 1573.0057 1425.842926 1620.129201 1830.940979 1946.238245 1914.198605 2009.077921 2160.916699 1828.087704 1772.501533 1779.949078 1586.815278 1893.411836 2286.899282 2557.75054 o-Methoxyhydrocinnamic acid 505.2832743 186.9551437 351.2143749 572.8500858 346.0859968 470.5734411 247.743889 231.3813926 486.4100692 4.07813e-08 48.41410946 41.39300385 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 920.5141274 801.1412657 899.0522684 855.5712692 836.2944529 779.2367603 562.7186327 615.7300655 587.7480908 4.07813e-08 4.07813e-08 4.07813e-08 98.85122326 4.07813e-08 4.07813e-08 47.38982238 4.07813e-08 4.07813e-08 593.7060721 276.102626 568.9564759 1045.412867 1052.374305 780.8497949 1101.054413 740.2788779 556.677799 409.0740918 303.1389012 283.359204 368.8923422 154.7864435 4.07813e-08 505.0137986 4.07813e-08 485.3785918 Epinephrine 233.7085691 408.0238465 288.1000285 200.4005989 4.07813e-08 116.577714 368.9132931 147.665065 179.4773878 827.1057036 825.3639674 924.1034581 826.4891233 513.2160474 1121.199182 555.9433777 96.04329586 424.3513819 89.41132114 61.15955498 4.07813e-08 95.15629423 136.3652605 85.51120618 70.8561667 240.6742132 4.07813e-08 597.2718966 640.5893738 573.271873 421.5392773 984.3690832 1190.280242 1227.930818 348.544413 592.5224498 457.832962 183.7815375 107.0704321 4.07813e-08 60.07170483 305.2453434 4.07813e-08 292.4803766 105.4309529 4.07813e-08 4.07813e-08 148.3495018 98.1327075 305.4302344 877.1225426 227.4208095 715.4970374 106.2568229 2-Oxo-9-methylthiononanoic acid 3245.275353 1996.113233 1955.017501 1550.0992 1779.938774 1327.496382 2027.601997 1375.191214 1496.119704 4643.561822 3732.8319 500.7494229 5763.183186 603.2727521 2119.005609 806.4195301 1071.612579 577.2023053 2571.903766 2338.016902 2181.848339 2035.616758 2237.210666 2882.493372 2009.986489 2204.836412 2347.720813 1102.837959 1161.642286 90.69066979 1017.195037 638.17537 976.7603305 1284.729169 4357.562949 380.7156899 1923.849538 1687.146014 1596.370477 2207.011826 2711.909241 2554.910183 2017.823813 2305.447414 3376.567666 1848.6975 1517.553657 1275.042675 1090.286912 1056.156987 529.6885054 1241.638405 557.7196312 3146.019941 {3-[(1Z)-3-hydroxy-2-pentylprop-1-en-1-yl]phenyl}oxidanesulfonic acid 148.928194 4.07813e-08 311.8204604 261.3242825 745.7358397 187.3995566 4.07813e-08 795.6958817 1123.303942 67.20508925 4.07813e-08 2.879443116 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 165.4008211 2026.136286 1393.841212 4729.550569 1658.72431 993.0858882 1369.477761 834.790519 1793.406288 1269.820374 4.07813e-08 69.6619833 97.62964783 4.07813e-08 120.7816862 4.07813e-08 127.99655 94.1978537 375.7142189 1169.582941 251.12519 797.2126212 961.8373153 1220.78069 559.7986077 1126.046549 2043.010093 1600.492891 653.6850227 840.5849382 747.5011725 767.1210637 1015.73077 11.94368511 990.3465662 231.3458124 344.1712392 Ptaquiloside 30754.79874 29987.40419 37253.93282 40709.23602 47053.67589 41717.60141 47821.57461 39364.93379 37565.74622 8535.123153 8978.835373 8271.083267 7631.238034 3605.25056 6857.301038 7624.427872 5497.916144 10516.29352 125315.7831 125731.1754 108695.2021 107688.2717 135576.4671 121366.1016 114801.5877 128777.9279 132380.4894 15650.03608 14566.21175 11205.62098 9008.860916 28507.6034 13821.45413 19450.66008 4948.129371 7753.285783 75477.80602 100776.701 89024.00423 105792.4308 123521.8923 140580.5739 108464.2466 117557.1264 170476.6822 84540.54905 72276.69591 82412.84762 68856.77688 64125.93463 24810.71323 77489.64378 32069.90656 79871.03098 Ethyl vanillin isobutyrate 141.7288933 4.07813e-08 232.9950709 728.2494584 1310.208553 302.509856 286.174322 4.07813e-08 4.07813e-08 328.2352378 90.57394774 483.2467038 48.6777844 79.82259281 226.3022233 4.07813e-08 5223.389308 4.07813e-08 1118.421939 1191.286875 1227.099192 1116.011524 1975.670496 1071.797377 1694.654343 1182.743824 1421.02434 510.0154223 323.8440225 375.035873 4.07813e-08 791.4745806 333.8744293 688.6438735 1587.958037 4.07813e-08 955.722651 437.4695929 916.3250392 1347.74265 1747.685223 1626.937033 1421.376184 728.135297 1728.989445 1014.805781 248.2678315 715.8281808 672.5779951 805.2711347 964.0135708 931.7846419 479.5771047 759.6628272 Carpacin 902.2256624 1005.796892 577.6621657 1382.200431 2220.433565 941.521594 1515.778914 589.0991003 551.9836313 566.8656026 166.7466814 166.3678634 410.8891778 4.07813e-08 565.1047017 86.3820062 4.07813e-08 4.07813e-08 1563.90064 1811.614049 1393.530982 1216.787307 896.5780528 2081.174987 2149.609537 1066.576866 529.4182039 4.07813e-08 120.2757874 158.049656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 242.4865911 1201.029219 783.7171139 682.7041649 607.7870487 1271.182314 1211.743317 2377.794787 643.6961107 597.760496 2211.144811 1182.845429 901.173666 357.5634091 888.648022 360.7484268 674.2249689 106.788684 1453.328507 6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 118.3122993 4.07813e-08 4.07813e-08 4.07813e-08 16177.08844 12581.74193 14384.30515 20190.19407 8916.427538 18306.04065 8264.201582 11085.32388 11403.04353 4.07813e-08 164.2515667 4.07813e-08 95.42651857 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.54818785 22882.29264 20606.51932 6307.574252 20062.89436 13882.6605 19189.62897 26740.76056 10066.59744 12185.74771 4.07813e-08 4.07813e-08 4.07813e-08 196.1564612 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15949.1491 4.07813e-08 21933.93474 4.07813e-08 Monoacetyldapsone(MADDS) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8771.939128 7754.62359 6602.003557 5742.000544 11899.17119 9543.440247 11080.12211 27474.55603 8599.921376 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 237.0782008 4.07813e-08 7183.061558 7198.693482 8216.305066 7757.349843 9854.128535 5390.781127 10065.42616 14115.51137 10572.72916 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 383.7091619 147.0680311 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10886.50806 4.07813e-08 3189.211093 4.07813e-08 Davallioside 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 14906.24924 27761.36188 11772.29027 8788.884373 32777.15544 12838.06059 15974.06929 4657.145495 16813.33981 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1920.716997 13783.79801 8981.826501 7299.002411 10023.95579 4562.336458 4269.487296 5381.226031 8609.265881 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5011.475509 4.07813e-08 9176.891227 4.07813e-08 L-Homotyrosine 583.125931 440.821464 856.5465641 657.0886832 673.4273383 520.4110348 945.6304354 274.4874896 351.2551623 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 327.4297611 325.4042672 1019.095018 215.4084136 358.6093255 428.0320293 375.7649822 69.39953158 388.0225896 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 234.352054 397.9815677 573.7235401 804.8124535 252.3560464 377.5028978 351.2607326 80.41873118 36.95620213 227.4839999 169.1700608 223.1562682 517.5360736 3175.225634 4.07813e-08 1282.812097 4.07813e-08 582.0973521 SENECRASSIDIOL 6-ACETATE 6510.186121 5020.346266 5048.242956 4159.301211 5901.522891 5074.513825 6626.32681 6410.023397 5550.56493 1935.508844 1312.635601 555.0798136 2171.573711 1099.057142 1635.095951 4.07813e-08 1533.06534 2044.471872 10901.17175 11278.31655 9505.556618 9169.324371 10733.3104 11132.28367 9879.91285 11286.96007 9576.316895 1214.207852 2273.452012 937.913466 1146.647337 2397.31744 934.6215026 1524.908891 338.3887382 1049.571455 6475.352372 9950.628698 7660.482749 8794.930079 10565.07855 11057.75889 8705.738599 9688.275125 13965.00389 8922.143773 6464.547208 7479.806667 4938.989267 4958.402255 2869.409296 6479.516387 1262.193775 6617.392874 2',5'-Dihydroxyflavone 5'-acetate 101.4574481 98.14734175 404.2880949 824.215141 1461.624895 1392.527949 1170.165796 4.07813e-08 315.1955304 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 799.6189535 1243.911927 1160.496077 355.9559617 1568.540886 2508.175756 821.9776412 95.79980796 74.70168744 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 95.9480528 329.2182402 96.79972026 726.4436424 906.0175535 484.6730081 1875.70751 4.07813e-08 124.3365403 1962.482859 367.5513151 640.2621061 156.8183157 4.07813e-08 4.07813e-08 379.1029542 4.07813e-08 1352.296271 AG-1296 265.6972622 603.4709323 1178.838083 2113.182604 1727.187103 918.071758 1377.672927 4.07813e-08 4.07813e-08 4.07813e-08 338.530851 743.1075406 96.85347886 538.2909956 216.6010801 188.0420316 124.3313314 4.07813e-08 1038.592611 963.6706356 968.898107 642.2607933 1154.915394 909.474686 740.3425891 1033.845388 1011.138797 104.3039648 110.3370902 299.1370566 4.07813e-08 183.5203998 672.3740363 278.1707148 424.5867825 253.0620137 974.4651339 756.0239257 596.0326377 1129.131379 1221.865558 897.3485431 976.3841629 1122.082908 2253.852805 556.5019739 645.9210885 409.5287657 169.3821442 350.4829338 89.57637504 355.5631257 114.1189884 616.461938 4-Methylbenzamide oxime 5696.976085 5213.744621 5668.042639 5624.676504 6857.316803 8079.316659 8394.713159 4036.732856 5268.273701 2057.138457 1578.305012 392.0456332 2319.752455 309.2578431 1729.515178 82.90870963 250.5026026 809.941982 8983.201943 10033.46407 9758.926479 9539.592074 12836.91146 10686.21807 10362.76919 7015.093473 7694.114103 4.07813e-08 1324.136458 71.1744594 607.6028778 542.8221235 232.8923991 901.6512134 71.65978443 283.65877 7119.322915 9049.202319 7616.747241 9190.078002 9818.813238 12156.5452 10638.58725 6889.011416 10617.96608 10010.25038 6066.3017 8635.348394 7349.830331 6613.629985 860.7025092 8598.284474 1142.160758 6655.52401 Lactone of PGF-MUM 6545.273189 6199.889934 6210.70024 6194.526121 7764.931085 9634.598846 11721.65002 4862.753264 8221.964872 4.07813e-08 73.87545601 71.06564993 4.07813e-08 4.07813e-08 66.66639076 4.07813e-08 4.07813e-08 119.2244281 12772.87681 13069.03234 10155.52438 10758.57834 16318.04711 17698.79659 14935.19415 5753.157693 7462.610301 4.07813e-08 232.7221468 98.72869206 83.43501011 78.63930042 4.07813e-08 4.07813e-08 4.07813e-08 392.0598532 9268.731505 10143.71323 11061.63901 9983.402934 13365.58091 16064.96673 16178.78295 5338.223305 7084.454263 19491.27849 10620.49109 13535.8961 7414.452695 8042.843542 216.386666 11996.32801 72.46995816 7189.943349 7-Methyladenine 919.1917579 176.6269047 889.6795228 424.4468753 1177.125491 1278.210928 1320.36247 1344.200481 1126.172202 81.7716631 191.9521874 78.88122209 229.9368618 4.07813e-08 4.07813e-08 98.14382461 4.07813e-08 4.07813e-08 2563.290055 1478.230688 2113.432091 2049.738242 2591.615224 2173.478975 2478.376708 2464.0761 2229.281752 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 113.3277331 4.07813e-08 169.1235601 4.07813e-08 4.07813e-08 1587.203776 1531.51166 1869.149771 1486.963123 1844.547909 2389.30545 1920.231439 1961.341595 2497.22733 1743.983656 755.845031 1412.987407 1406.353941 1344.877781 286.9329761 1554.140251 4.07813e-08 1653.863885 diethyltoluamide 971.8089554 484.5094647 929.4591761 793.8219291 1302.236929 1246.084518 1559.213168 1093.786035 1089.054815 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2600.776999 2715.820995 308.180229 1527.451583 1300.706088 1955.17739 1732.435497 2213.40744 1890.442229 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1353.00901 2437.395889 652.5680559 1234.119986 1785.284528 1590.968498 2062.885575 1963.840515 1722.944922 2148.173307 1660.07333 1878.803247 1733.048339 405.9657004 4.07813e-08 1730.125204 4.07813e-08 3020.112088 Mono-(2-ethyl-5-hydroxyhexyl) phthalate 6596.923539 2106.950526 3206.209673 2104.762871 5166.646109 4393.107804 4139.586867 7234.914322 11358.12666 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 88.89547712 2655.364438 4.07813e-08 103.4532927 2682.776705 2821.778136 2109.255274 2915.078318 2474.224361 2618.404953 2124.633258 2098.84538 891.7433092 66.20298435 4.07813e-08 4.07813e-08 109.9281805 217.1372654 168.0367037 4.07813e-08 89.25851042 2268.149497 6855.010062 2927.255712 4044.78031 1573.087428 2029.641922 4889.584552 2586.806869 2176.160257 416.8710038 3819.824948 6062.591851 7168.839473 7918.942945 4862.402084 4.07813e-08 3939.784078 4.07813e-08 4450.519346 cis-3-Hexenyl hexanoate 2875.424734 1676.396017 2425.427613 2160.556946 2501.331938 3014.782545 2022.865928 1795.433256 2441.82964 1019.707057 671.2690502 1365.626507 1020.052182 1013.769127 925.204744 1071.568473 389.9175391 1389.578269 2140.389468 1465.627838 1236.090319 1603.755463 1962.995389 2113.898804 1400.221396 1280.488999 1543.444249 719.8319077 1176.430943 943.6257019 1551.068417 968.8528329 942.6565914 735.7748888 1203.321405 1889.670603 1863.928602 1615.169824 1643.911186 1401.53023 1537.130695 2023.398361 2470.299937 1647.729613 1421.578286 2233.592052 1829.242019 1759.549972 1680.845544 1328.396811 920.2499036 2022.540521 903.7920653 2106.932399 2-Heptyl butyrate 2019.84811 703.4362507 1676.529453 2291.237801 2588.361584 3710.000953 1380.622488 1673.876984 548.3807568 4.07813e-08 4.07813e-08 184.8712217 4.07813e-08 362.1577082 4.07813e-08 4.07813e-08 4.07813e-08 81.44266914 1731.069291 1734.316169 878.5583868 1031.297411 1106.834883 1998.01151 851.896883 1656.123891 2246.254931 4.07813e-08 56.04025388 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 841.0466003 1572.916919 1926.899705 983.603013 1276.034241 1453.805875 1060.786014 2002.720665 1232.562665 649.4213996 976.5417898 969.9503019 1233.914604 797.3230224 740.1805285 61.95920699 868.450863 4.07813e-08 1446.068861 Isoamyl p-anisate 2511.922411 2015.810061 1716.443198 2478.653021 1732.119741 2075.746383 2911.868474 383.6528183 1091.771835 81.29581606 298.3470291 130.6990228 599.5181164 169.0436489 144.3862943 4.07813e-08 4.07813e-08 510.0441645 2476.116849 2262.081189 2727.83113 2978.262231 2582.421692 2850.969987 2555.62859 1336.867629 1685.110202 4.07813e-08 78.83490273 331.4142302 77.46284405 4.07813e-08 65.66556358 212.6367075 4.07813e-08 872.7436181 1581.85849 1640.735502 1579.549575 1745.103484 3527.09854 2372.101375 2725.899959 1407.713287 2463.371017 2472.252301 1772.950499 3431.714814 1668.678549 1317.73375 160.2752486 1914.00788 4.07813e-08 1873.428164 Elatoside I 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53371.99262 42761.18043 42948.34954 54533.61137 15051.06208 34785.86759 2397.665479 4.07813e-08 63949.20551 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36434.04766 38033.39209 37390.00684 67936.11778 50218.46223 41836.14872 4.07813e-08 33207.57082 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40097.78333 4.07813e-08 67584.94892 4.07813e-08 Etomidate 66483.43219 140508.1741 34036.33311 73336.5243 108707.8954 91393.21844 90399.8486 240992.1617 561973.1203 45742.89139 8952.140806 259496.7835 43224.06193 39058.71598 168712.4791 455660.7143 33645.25996 1425310.378 25907.07502 41872.56092 42376.99655 84829.92189 6758.20559 9154.015761 42281.14678 17642.88051 1967.280089 1461.216192 62453.58264 31997.96573 40066.48255 50497.14806 5051.644072 70499.75526 11204.43044 118456.523 190509.6333 16631.76783 8184.419882 8257.444278 34963.13437 14358.45442 6353.013058 11835.97712 3733.421954 11573.46885 290198.7477 106064.3808 165661.4 166962.9894 324566.7079 162760.6801 66046.84799 63802.89143 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene 2435.543194 2360.564164 1407.110216 2001.183435 2657.291252 1576.297139 2004.146936 1963.482647 2360.660147 1526.832485 1187.107552 1166.180533 1659.035646 1732.024783 637.0680935 585.9947829 232.530963 648.7451627 3531.25756 4398.607572 3812.131709 3603.071321 3395.861145 2522.207555 2885.601884 3320.929666 4713.13533 4.07813e-08 953.530335 765.0885544 165.4267247 622.2551833 180.19436 202.4689092 4.07813e-08 1253.749686 2618.539239 3466.4526 2951.11082 2568.392338 4028.183922 3354.693245 2252.093793 3463.026232 4031.206555 3054.12581 1949.630617 3395.030368 2618.827589 1570.330512 289.8478118 3440.17358 708.5376366 4054.691764 Kikkanol F 10841.22397 10098.56056 10134.71986 10943.32038 10730.27734 13355.98555 18045.48436 5103.384912 6893.620635 1128.128935 988.4987339 932.8409974 707.1119538 626.5247199 263.5651752 4.07813e-08 77.68202837 93.44547923 12587.8363 15684.93012 10979.45591 12915.24118 20241.5627 15976.44182 17704.20702 5349.248773 8459.593812 73.51957413 397.6856849 118.4917346 80.2007471 349.5595598 203.7495686 210.9626149 86.53782786 308.5435852 7225.194716 16544.70147 11671.67146 9760.716466 13427.69041 18670.22075 14294.04669 4749.616364 9300.028508 12875.06831 9231.399391 15140.77864 7658.757074 5585.625877 74.61221657 12270.35213 87.07307711 6797.384695 Ethyl (Z,Z)-5,8-tetradecadienoate 3648.898705 1960.136899 3083.551025 2540.737367 2095.553436 2902.270871 2676.02387 5108.293881 1539.003028 4.07813e-08 73.30336387 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 108.9014449 4.07813e-08 275.4131265 401.2666062 232.2921984 4.07813e-08 345.8007183 124.1086452 249.581052 4.07813e-08 4.07813e-08 251.784255 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 707.105794 184.9448352 201.9415911 93.01668275 480.5547433 390.8249471 644.0972803 176.8787412 4.07813e-08 4.07813e-08 239.2722634 324.6830457 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1488.165471 N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfoxy)cholan-24-yl]-Glycine 2108.421929 5019.495467 6676.505309 10026.53268 29754.33382 1564.042499 268.1016536 3381.068202 42822.82844 2494.014209 2572.980924 8575.975006 2316.717271 12013.57025 2919.07038 3425.088028 1974.745422 10304.72754 5509.683288 7813.783375 1196.983207 2559.038365 4.07813e-08 1578.958995 1525.112642 834.769337 4.07813e-08 224.2175285 1311.269401 752.0483872 1538.304777 1657.7954 324.6468665 354.0096864 844.9142656 5561.635703 1578.315463 1851.544555 236.5636965 3283.915912 3560.267344 4.07813e-08 1799.070561 764.4376741 4.07813e-08 6013.630315 7764.471102 868.6149163 3659.054996 2279.923177 5549.259262 2788.048505 136.934565 2085.111527 3,4,5-Trimethoxytoluene 944.2943337 1001.884418 2662.351751 2007.868205 1182.452377 2956.791757 4763.942991 684.8199369 1284.344717 105.2027611 112.6318925 104.0277462 4.07813e-08 382.7926125 4.07813e-08 4.07813e-08 421.4131978 131.2281837 8820.09356 10176.53472 6255.865128 9025.122349 9338.98776 9060.206044 9496.723123 4899.41041 5034.951583 326.0737781 213.6205591 253.4463432 423.4078919 235.7700849 277.6088104 209.9689374 4.07813e-08 448.5706217 5355.518133 8606.712324 5837.18026 6551.447644 9330.424748 8697.571829 8763.410681 2760.957605 6390.538344 5561.972899 4408.385874 8033.414731 4079.424668 3147.360534 1351.45683 7253.041207 138.0897387 3016.575236 Ricinoleic Acid methyl ester 7389.07881 3266.033873 3141.319972 5371.4432 1762.699777 2057.110349 1192.495638 1466.193394 3514.723484 4.07813e-08 4.07813e-08 119.9617803 4.07813e-08 305.0217435 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12656.41754 10517.75269 2784.456561 5958.467302 7422.951167 1568.642706 4634.556038 9263.760897 3377.0676 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 118.1042924 4.07813e-08 4.07813e-08 134.5673081 6465.319913 9591.047643 5041.82412 247.1962084 3197.037881 8158.480314 818.4922691 8795.606114 7266.811944 6154.075672 6345.672512 8593.985768 5356.500154 3415.156867 4.07813e-08 2142.253717 4.07813e-08 2788.52799 1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-phenyl-, trans- glucuronide 73600.28194 75340.62888 80678.2377 13735.11811 9088.024693 77405.60015 16805.00792 132051.8868 98431.48614 11666.52434 5882.024358 99898.57387 13280.67799 86319.47296 83389.58576 23410.62026 51600.71526 47816.87138 20404.91206 24861.91094 75440.76557 59633.58494 4460.715656 4.07813e-08 5674.076707 1.485996102 5.586540214 69149.26828 148607.5621 14907.56916 71309.69872 64819.47853 13068.94114 95602.4112 104482.3369 32664.28266 96206.41935 8462.641284 70478.24009 26905.05655 13963.76479 12647.03469 4.07813e-08 271.5481962 3.884659427 69732.65441 150752.1433 88838.82006 122462.1261 73191.31602 70598.58227 105997.9426 7553.039246 25474.30547 19-Oxotestosterone 5055.297022 6446.709113 4494.257598 8569.699776 3278.101945 6680.944688 14552.70241 881.9728147 4283.283252 4.07813e-08 4.07813e-08 4.07813e-08 97.28217252 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 505.2644375 9961.74297 16949.82096 8420.175918 16090.78993 12998.82036 11953.18708 13190.67104 3102.179969 1483.353015 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 99.2865739 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4834.019091 19389.00065 9783.464531 7493.387996 19930.55065 13567.14718 9952.37588 2445.455214 4656.582064 10841.65265 11114.76534 21401.76791 4566.092586 2011.386867 166.6893479 10477.49562 4.07813e-08 2887.802104 Anofinic acid 2372.997329 1960.393005 2461.159432 2469.014798 2474.596934 2116.661323 1942.794276 2355.762133 2463.318049 1559.605081 1274.6854 1870.763875 1456.079403 2023.763014 1989.599669 2579.849027 986.0346077 1600.810814 1302.511912 1585.37925 1593.5308 1345.348802 1378.44338 1423.934967 1733.237278 1886.630793 1894.972571 1566.595353 1813.393099 1447.22595 2114.578764 1348.257915 1627.85836 1491.34923 1824.231191 1981.719253 1849.22813 1816.673842 1921.969062 1540.023085 1701.626166 1602.371051 1651.936817 1787.471065 2115.781829 1719.388045 1865.597325 1750.436805 1663.128061 1810.879055 1323.208618 1647.131754 1712.141709 2475.50369 3-Phenylpropyl isovalerate 1807.234421 3695.097757 2688.619722 3413.530551 181.8165524 1868.025253 5994.544579 195.8505089 1767.899216 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 157.3182558 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1879.31519 3746.918802 2791.280827 2416.482016 71.32504003 3346.582222 2134.925963 151.215163 225.4637719 4.07813e-08 72.63644351 266.164054 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1062.553754 4009.70927 3417.318258 916.4283488 2030.960843 1892.037971 2537.521368 65.76366424 244.9880455 2242.756473 928.1375026 4361.361514 1288.223592 421.9192956 4.07813e-08 3119.484678 4.07813e-08 179.1279159 Alloalantolactone 2915.014341 4072.839753 3379.192959 7127.212392 602.0843057 3453.11331 11163.83386 642.5027902 2348.249867 4.07813e-08 80.6354086 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1528.750673 5218.804283 2322.998704 2921.399776 2565.951462 3897.411015 1664.654322 373.988551 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1595.789451 4495.863641 2670.600367 1703.109034 2726.978403 2376.862992 4453.62909 264.2015028 287.541548 2212.110308 5050.580609 10831.50847 1706.131966 873.4562961 4.07813e-08 3393.524585 4.07813e-08 128.5301457 Ciglitazone 4.07813e-08 1323.641221 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3565.40087 817.62092 11402.86037 9564.422438 11540.21036 13529.80512 7195.48364 2321.659699 13035.65911 18243.81881 46812.40076 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26154.67587 33261.23045 15213.27798 14367.69911 22572.25115 24561.89532 30777.72907 17187.83219 22615.02576 5075.923966 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 601.3228459 4.07813e-08 1335.55132 2135.307065 38456.74937 2303.374897 12089.47666 1437.616196 Glycyl-Asparagine 1786.962972 1942.210445 613.8624437 1072.109248 286.8697335 756.2398754 1142.788149 1839.136605 3048.124483 2594.237394 3025.525626 2895.992952 3298.118463 2768.367333 4140.660257 4272.746047 1026.458426 4282.148766 660.4520278 618.263714 641.7238141 417.6352397 453.3615079 483.2912716 956.4298366 597.6166912 759.6161948 7276.657212 4363.771015 1430.094466 3842.679233 1753.83665 3289.113319 5333.972559 3259.841839 2323.856261 982.9520552 679.8579831 837.9231043 1108.869252 385.4124735 754.4734954 463.2746373 648.137951 150.6507363 247.9321138 864.1449709 705.7872197 1040.923664 1155.767254 1945.028445 889.2060878 3246.706452 435.2334035 N-(3-carboxypropanoyl)-N-hydroxycadaverine 4.07813e-08 1335.848745 294.2687354 1016.128811 272.1113911 202.6166516 526.7624311 402.7386774 692.4400801 6372.232441 6595.503937 4520.047964 6527.275889 3963.473825 5477.473176 3314.315699 1518.22867 3159.531717 2316.567153 1496.860223 1618.800897 1553.248012 1213.101547 1933.456018 1705.625389 1991.775862 1801.091519 10977.14903 6801.147418 4563.734889 6014.215841 9534.890622 6445.464063 9030.667202 3603.4957 4297.364346 2661.284751 974.7329576 1340.55002 2128.170053 1793.597964 1648.124019 1990.549217 2436.564636 1543.213015 506.4044674 441.3121126 1261.796232 603.7882737 1895.186295 7397.178188 826.7785927 6548.408628 758.4877743 3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic acid 4.07813e-08 1156.91381 464.1555664 813.2605509 551.3438697 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20622.91538 11777.39895 11585.3374 19593.13494 8361.652626 6862.089738 8739.588006 12704.58924 5939.139159 872.5298275 870.3763629 1239.719588 299.8080092 780.1394533 4.07813e-08 3361.795409 4.07813e-08 4.07813e-08 20337.12641 9302.735812 8245.709943 10540.7503 6790.983224 20187.31017 18859.43493 7450.347046 17069.06303 2351.695778 806.4135589 464.9205843 4.07813e-08 265.6057365 2255.243378 270.9175741 4.07813e-08 13.20350981 4.07813e-08 4.07813e-08 4.07813e-08 570.2699091 2481.749166 11924.95447 1015.512123 11833.75505 4.07813e-08 Threoninyl-Aspartate 986.9678351 1099.326051 707.0823869 613.1230374 2743.693305 1758.348652 1043.28279 274.256494 464.2419721 13218.1415 12905.71968 8249.688721 14785.06805 8870.964599 8660.718788 6750.469948 7827.631376 15147.8348 6480.169829 8367.595835 6218.130602 5716.779775 6589.684026 6098.92398 7262.328823 5498.320641 8064.328949 3814.168681 12326.18167 11296.02524 10146.4394 14696.92744 8386.337696 5905.425667 2801.913701 15162.21486 4581.471974 3333.049633 3776.574735 6109.999958 4443.384875 8699.310098 5410.269194 6745.309014 5732.304738 3948.279606 5956.670444 4305.669213 6129.648016 5420.327614 12708.56635 5906.051507 12945.85943 6987.45797 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-glucoside 14843.77304 124181.302 36105.45863 29099.17757 11893.86395 20639.11479 35859.67074 64778.11073 60594.03041 396069.3416 340612.0136 536438.8625 417621.4058 538335.2338 337416.5143 432317.1076 300317.1876 424527.7107 7372.675059 208173.0877 15860.16027 5343.212968 1072.33684 3808.723531 2853.497494 27925.08909 13188.87049 189052.6839 393431.0187 517547.6138 562483.8266 324857.0053 259191.5078 213790.4458 503718.854 608376.0052 19793.10101 28574.45478 20206.54823 18155.41142 2331.819169 917.9600821 6498.956071 39914.16546 5400.810627 20787.36271 10227.79201 13749.66612 43929.71007 47446.92137 355600.0599 22176.96065 499623.3632 67639.62335 Glutamylhistidine 5517.355352 9919.08785 4884.540273 6898.257755 5387.322088 6630.924386 6721.540609 6811.6974 6419.486345 22854.89803 19573.23768 10990.07405 20211.52528 11876.22908 17150.43875 8915.695515 12274.32374 20448.49698 5867.128454 5653.169582 4967.176964 5675.298336 10022.02152 7672.490745 7259.399497 8008.229739 6926.030884 17144.20998 18002.15651 18100.21209 18157.72089 20456.46192 15785.32876 19951.3585 9235.81108 15163.44734 6187.64844 5214.93932 6044.2806 7009.967523 5504.247231 7405.405972 6983.121966 7554.651795 7792.679025 6222.889996 6391.444359 5377.218105 8166.739981 9587.437701 19801.47694 7685.661526 19718.10705 6709.458773 Maltitol 1666.731171 1159.056339 343.5361688 425.9906898 427.1462181 175.3563126 984.9827543 33.68889186 4.07813e-08 17381.10941 14045.38372 13352.27475 18549.33889 10639.94293 12720.70616 8379.953368 8398.507992 16612.19778 2120.277599 815.2245712 852.619408 960.1695533 432.9833079 760.4253983 2656.584734 245.3307542 1034.85361 15198.2783 21936.44853 12521.88375 13491.95525 15326.51242 12163.28646 16602.79287 6342.491831 15330.81236 735.8135926 409.6652883 518.8326521 4.07813e-08 1429.40862 502.9120462 697.578921 560.5547522 1621.283266 493.9364923 4.07813e-08 4.07813e-08 340.713565 1017.284254 14433.32885 2109.27858 16913.29542 1110.573289 2-Amino-2-deoxyisochorismate 1456.999592 1304.58439 1941.78605 3439.838103 1181.136581 1728.470154 2444.180652 1626.092944 460.9403118 459.3289931 706.9158624 1995.238398 944.4183845 1252.917165 739.7233028 736.5358349 257.9591554 573.7289686 2876.852011 2650.915614 2177.233654 2706.152157 3015.295192 3354.791996 2731.06467 3464.546941 2887.573784 950.7941186 1017.804744 2108.53396 1303.089855 1293.946203 2417.961471 814.0854971 676.6802982 884.0710591 1686.939153 1697.428023 1426.683315 2908.761063 2942.677882 2075.778019 1818.109984 2905.879358 2804.944201 2330.086842 2749.568789 1812.844789 1734.905114 2472.138853 903.6526316 2712.186205 377.8912089 2587.738012 Clavamycin B 2056.184464 5766.926508 1550.20012 1873.13299 1658.795528 2262.858255 2932.552494 3623.631805 3650.896851 17095.93075 16165.98246 10061.91171 20408.29145 11702.41832 12001.73555 8948.876406 9899.388197 15631.65324 1518.017929 1804.294239 1373.277805 913.4276942 1560.010871 459.5515614 1438.420973 2490.634055 1596.917312 13126.89466 15748.7763 12007.95933 14520.28695 15609.33747 10283.19695 15148.4675 7758.963955 13671.54526 3189.149954 929.1646178 1270.098038 1659.029023 676.1688403 1085.08596 804.2600808 2226.459689 797.0510563 1555.913711 1484.40687 2833.541288 2969.678313 5679.4052 15413.54097 2019.635547 16536.31695 1511.844628 Pisatoside 3289.225882 4240.117415 4644.211827 5066.186574 5192.642323 3282.312609 4568.663979 3534.255164 3051.423426 2168.899083 1561.342115 3333.90142 1544.360453 1988.205801 1770.118462 851.1491856 117.9873925 1577.446333 6019.809415 6770.033013 6514.538149 6159.127549 7247.708017 6385.743092 6876.965352 7237.156977 6234.717319 2599.345878 2159.007523 1801.138856 2390.998636 2535.193762 3400.394468 2610.299234 1221.423262 1767.874935 4381.095555 4777.71101 4205.870915 6768.638556 6107.866526 6723.256231 6056.534627 7356.233649 9080.013888 4935.117285 4732.671429 4486.745202 3821.759805 3807.739078 2285.408238 4513.680452 2544.065655 5806.733791 Calcium levulinate anhydrous 20835.77221 34698.35468 16831.18963 28729.58956 26190.01331 16190.3537 16701.43448 30964.13761 37691.21489 3921.201389 3164.151196 3642.966547 4266.215715 2381.604193 2517.473626 2259.598364 1978.714356 3488.499893 22661.67903 11266.64976 19137.95449 18124.99734 8897.242842 18256.46271 26214.8553 23057.45874 6208.952599 3062.065758 3137.889599 2690.662097 1936.863686 2540.459072 3154.990257 4449.42222 1956.039864 3348.786224 17431.89627 8181.918966 11154.33659 23165.27979 19319.31885 15532.70114 15499.76396 26930.14207 12344.56263 5557.996544 19005.66366 12247.24151 22034.87608 42037.92706 3071.701936 10622.58095 2123.507268 6422.95504 1-Pyrenylsulfate 1869.082038 1358.463213 1892.682508 2807.301142 950.7993848 1474.939403 1246.093419 2478.347779 927.0639883 43628.39959 29046.8766 63530.35086 41704.52743 32241.17815 45758.27922 49698.31809 26076.97841 37216.84939 1232.189195 2450.426338 1246.209272 2831.524628 3055.938544 2381.520222 2947.065627 1075.273265 1564.868565 56558.94884 52619.81415 10612.08508 44186.73544 9275.560315 18849.95756 48064.76384 40815.24585 28246.15026 2206.817263 1551.924561 962.1641258 2784.045418 3213.722126 1741.847107 2343.955753 574.2499142 2221.964547 1067.700008 866.707362 1499.999155 1369.940155 1416.726795 27690.11334 1865.708955 13997.24651 2570.463623 2-(Biaryl)carbapenems 353.5052313 212.6025573 191.3238866 1044.907153 716.598809 196.2342123 712.5975487 2093.278759 821.7477028 2070.687455 1464.450827 2486.87833 1802.073353 2204.671441 4030.764043 913.4181552 533.1827741 1076.730955 1145.144728 709.0440926 647.7125404 258.1110769 511.9430529 753.3094322 428.7075799 1138.155608 717.6313369 3087.482162 2439.751844 1140.681059 2145.044742 4060.531978 2915.066224 3579.558113 886.6168552 1551.037298 518.8942962 564.3690283 292.7535183 838.545061 1344.109184 737.4317329 1162.898653 1112.364944 1222.455488 1337.378456 782.8490778 1660.276621 2219.048431 1734.310317 3230.207896 3040.40771 2612.660679 2779.66163 3-Furanmethanol glucoside 2496.988377 3044.430254 3168.215542 5197.539122 4501.452836 2649.963804 2855.62001 2911.942815 2008.093233 2983.642867 1997.756971 2712.689202 3063.971068 2168.90747 1458.124995 1416.605376 1099.532879 1812.646355 2986.838537 3694.013397 3167.766305 2449.547855 4350.722407 4219.667188 2826.712624 7632.822092 3690.855047 1458.851468 1233.25607 1981.726127 759.6271521 1552.215945 1495.122571 2235.951173 981.2937389 2442.173969 4659.4817 4204.818745 2523.360125 4090.863384 3884.313156 3750.929614 3366.672442 4677.476237 5730.442192 1613.400276 1976.613816 4160.963368 2754.635495 3695.059188 1575.944894 2742.542801 3097.002427 2827.724069 Mesuaxanthone A 2975.045455 6134.497945 5334.362867 2016.812439 5823.843737 2659.44378 2310.514819 17031.27402 10589.52828 208.834597 54.38353921 1629.862882 386.7804953 4.07813e-08 4.07813e-08 4.07813e-08 305.451336 240.5354242 2117.397632 2994.897546 1253.444848 677.4473895 2028.056422 2289.652335 2745.977109 285.6639814 3763.446246 206.508541 603.1169186 134.6863263 68.55290534 604.4567508 363.1149137 657.6242804 85.80785616 229.7414817 1264.013784 2394.902115 3327.451073 3568.559953 6557.845309 4022.09395 6573.723193 1037.115574 1401.066225 21634.2956 2345.362385 16748.89757 9405.924176 13444.29493 715.6730517 14446.21558 306.1687619 7100.293581 L-2-Amino-5-(methylthio)pentanoic acid 6094.350107 10930.38551 6903.911122 12069.36048 12424.788 7149.111453 11589.53287 18805.62522 12433.42717 272.7869684 93.74910279 99.76515816 133.1745289 123.1702626 116.3432152 96.35326909 140.6402766 122.8171064 4147.821693 1082.077091 2745.42886 428.8553536 636.2880211 1237.26526 3089.39167 620.9227997 3606.738658 1627.826554 449.8689324 629.99193 998.0935672 657.845033 460.3417392 773.5184409 562.0938845 138.2637282 10691.00234 5201.27399 6784.663735 7406.6055 9016.40003 3789.600401 6538.650669 4134.130346 1629.446045 11228.19607 9953.647138 21320.64459 23595.12028 26102.55872 408.2693586 28438.76625 414.3304937 24713.71883 2-{[hydroxy(3,4,5-trihydroxyphenyl)methylidene]amino}acetic acid 2188.276234 2827.12297 2214.581176 1877.324354 2340.10206 1911.81103 1887.088007 1806.094215 1351.418286 2609.524215 1855.566382 1984.00699 2638.979575 1290.246287 1992.054227 1137.625208 635.5765984 1721.32912 1535.114125 1990.822338 1416.819592 1634.298568 1955.7968 1418.197185 2088.02464 3221.627838 1960.521411 2579.320521 1293.869971 1319.558224 683.4545629 1905.562794 2287.787491 2369.778422 1307.871168 1989.899768 2322.764115 1475.054097 1457.410818 1192.812342 1552.653801 2849.752076 1276.35914 2051.590377 2037.976649 1056.623758 1223.575066 1794.138772 2239.346399 2379.446653 1854.626901 1922.40541 1507.395403 1855.392782 Serylglutamic acid 274.0511933 382.4336438 119.4428121 301.3562429 199.6756222 288.1008757 418.437438 308.7698371 188.947085 936.0024068 536.9803915 601.0467022 1180.61181 590.5366407 789.8827327 231.9592224 779.7320987 660.9890725 322.997439 550.0644286 438.6162697 292.3863642 352.4383055 412.0353346 385.2135944 602.8223439 580.4371673 1098.989236 926.9344035 766.7196625 341.3649202 980.1426215 1373.251312 1114.76303 347.8821583 555.1784639 623.5601006 370.1747264 299.4017646 339.160672 327.0248516 317.7079575 298.5989297 526.2560831 449.2603907 249.4923035 40.4580073 262.0393816 354.9231724 473.7964509 1203.446147 210.0608749 702.5714454 151.2333659 Butyl lactate 1043.050772 879.8108823 1186.469952 915.8136566 1510.237899 1021.752752 832.991518 1017.520987 869.8434843 321.5358203 287.3504141 164.179196 113.8448064 4.07813e-08 198.1629016 4.07813e-08 4.07813e-08 208.5308388 2704.551902 2842.768349 2734.770777 2050.797009 2320.342389 2041.032422 2243.001405 2679.153769 2986.7145 265.1282712 228.7567574 177.6008892 59.08031805 491.0150679 231.2666586 476.5467866 82.89985412 87.42649682 1627.54863 2081.411782 1600.357314 2430.310787 2494.818905 2572.345924 1759.349545 2806.185814 2477.476579 2196.939617 1527.339592 1617.431873 1504.943568 2291.17073 543.6246163 1775.640771 247.847737 1445.032875 Tyramine-O-sulfate 3190.251773 3258.102785 3367.164258 3238.102879 4454.98115 2905.858934 3063.988042 3097.815612 4342.712511 1494.028273 777.5915002 1007.330377 1364.530559 995.5240505 708.6119994 358.7634425 1923.130153 1469.211057 5476.104523 6494.961766 5893.753524 4157.835215 5365.396243 4218.68617 5017.871395 5673.155498 5659.396718 1338.956827 959.1517157 1541.312519 906.1586567 2548.819885 1324.868077 1815.051341 716.7720498 1062.089937 4041.307351 4072.128956 4369.42893 4464.722341 4723.422451 5201.360166 3791.088955 5697.847671 7693.297496 4488.643722 3705.490696 3405.837416 4201.480776 3940.070463 1513.512626 4156.213434 524.5158052 3634.108789 Dihydromaleimide beta-D-glucoside 673.4609776 625.5616055 896.4199445 772.5138068 1717.663169 1425.037219 646.0312549 1241.851681 1058.014643 467.241839 503.4513567 674.7477926 784.3117897 263.1236795 322.6217804 231.0657527 225.3908532 677.6934697 1756.530158 3185.814088 1603.327624 1673.787655 1861.536496 1702.937484 1558.143708 3586.53309 3169.181103 393.7272361 465.3034709 115.0040836 459.622914 941.1154105 412.9195577 468.6247647 151.6110869 363.7826703 931.6340901 1381.089876 1681.582357 2749.862476 1492.819757 2158.578138 1058.794625 1534.355684 3392.671316 849.6021108 1439.730127 1730.624129 1123.894477 1767.343808 752.6825297 1098.887049 351.0110798 1283.6965 Tetrahydrofurfuryl propionate 680.4839558 747.8778226 772.1364141 818.3056184 1141.752008 882.850139 717.3460093 513.8919893 394.8175378 122.711152 110.0965772 196.1259656 219.7356591 144.1530645 34.28158508 4.07813e-08 27.97661281 155.8336596 2038.21658 1786.361644 2036.480583 1669.24579 2227.46486 1697.236157 1452.620933 1884.118312 2025.16909 144.6401212 176.4539311 106.1854739 103.2870231 220.8084811 101.7685602 233.3551223 4.07813e-08 111.4081745 1261.859589 2053.214295 1365.469832 1815.595475 1926.898839 2074.371784 1968.074576 1807.902873 2586.674964 1628.580067 1219.394893 1322.449351 1476.215652 1687.279586 290.3500092 1676.209417 187.220562 1617.746116 2-Aminoheptanedioic acid 505.1547358 769.3478956 566.7558337 583.4746247 426.7860534 755.4573374 616.941206 2722.692637 4034.515606 4.07813e-08 285.0603711 4.07813e-08 21.40721016 4.07813e-08 114.3271778 4.07813e-08 107.1085362 4.07813e-08 565.1405077 701.7484468 576.9396415 196.3189913 410.0482586 958.1932393 253.7426078 631.3824361 1348.074046 193.531618 179.9547194 57.19135774 221.8824478 189.6354216 4.07813e-08 88.07779428 84.03197705 133.3751968 337.9111742 883.9159862 710.610063 663.7602629 585.6418439 259.2847857 1626.060064 1714.972545 202.7172303 1301.980387 1228.517833 3253.279615 1481.283623 2261.377015 22.44665596 2921.726485 182.8053536 2453.534328 Alitame 1925.712554 965.206555 1595.538412 1482.276462 1930.86068 2136.364483 1072.995024 1001.958115 1062.392692 189.986129 229.7770753 299.0400909 164.1717435 347.7570484 217.7381794 5.272139093 94.72741679 2.794976486 4663.710494 2899.5398 3562.959997 3545.515248 3396.935347 1383.498123 2935.971081 4586.53397 4042.096012 425.3180618 673.1102168 451.2741575 462.6536317 465.6677312 580.3244025 361.2810599 75.45052623 395.9785884 2682.984898 2718.636843 3138.750214 3355.246711 4197.255241 4864.26968 805.4360075 4073.287096 4897.781211 2033.752767 1202.478126 2479.733937 2787.523969 2449.505308 717.246969 3278.33489 172.7004895 959.5190168 N-Methylcalystegine C1 2538.572579 5159.163752 2912.192348 4619.244228 3382.941753 3252.477926 2317.935351 2519.696277 5135.247952 2261.494365 2171.388578 2514.823311 2216.250425 2108.94618 1702.411873 1589.087568 1395.174085 2207.625081 7148.435139 6133.079791 6957.227561 5956.453461 4183.088186 2177.188206 3776.908034 8620.599151 3022.622807 1815.071592 2355.029441 2357.0148 1925.821981 2665.933795 2333.775623 2487.389709 1556.409204 2292.422225 6101.641723 6416.283503 7351.618557 9779.173406 5074.400715 6664.97341 2272.173788 6963.948853 13858.69422 3277.976721 4451.171663 4717.128104 5539.827761 5834.26796 2279.716873 4825.425434 2151.409364 2828.590566 Guaiol acetate 12536.17476 10983.10215 15341.51884 10557.56796 16872.49027 16737.0765 10491.10834 10751.18144 11734.79206 14467.80801 10807.08811 6479.182446 12507.83335 7676.509808 11987.77868 8119.774431 7589.145861 7382.725252 17100.12006 15758.95193 12535.79851 12279.33834 18288.57996 18530.36055 6998.957052 22273.58226 16979.13269 4693.217681 8160.222223 5936.342519 7840.108249 7329.602956 8130.320366 5455.062333 9610.455626 5972.77123 11238.86765 14996.32711 12564.76704 10551.59557 14368.16146 15724.20158 16650.27205 20948.53968 22823.54933 11101.19433 8780.979106 10733.28671 8396.263361 6601.46816 5773.699807 13523.94673 9908.61394 12683.99144 CB-25 4.380555971 1868.728083 252.4356579 12.03074081 288.6411943 2309.026401 1316.462001 5453.409983 4907.447819 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.649633087 16.73058627 2129.768491 1231.147094 3264.677787 2014.676744 904.4001526 1242.132594 1402.250362 14.62529567 11.84836466 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27.21264586 2912.6414 43.75370131 1217.158467 2535.177131 1735.319012 1222.65754 3070.157076 697.4130641 4.07813e-08 24129.36241 5964.821566 9227.212596 4498.471037 3413.120231 8900.777938 7497.801923 377.0365294 5693.068394 R-1 Methanandamide Phosphate 1366.751131 4504.352603 2476.702064 4705.808258 1937.375187 4.07813e-08 2869.174809 772.5103667 886.8426055 3813.447602 635.8942777 4982.637539 3655.884294 6417.844875 17453.24546 5314.780585 4306.729772 275.0435573 272.1482617 4.07813e-08 4.07813e-08 237.497199 4.07813e-08 4.07813e-08 4.07813e-08 248.8390813 4.07813e-08 15004.18214 3319.818593 1869.07319 7070.325408 2424.160632 14213.42734 7446.197963 14176.30083 6307.038733 4497.885331 4.07813e-08 1682.026488 4.07813e-08 4.07813e-08 278.1989324 4.07813e-08 458.9472459 4.07813e-08 4.07813e-08 4.07813e-08 281.1330478 1562.635155 4399.875356 2925.934974 488.8046636 4.07813e-08 1216.035022 CAY10412 4.07813e-08 4.07813e-08 416.0913099 383.351395 174.0471097 174.4681017 4.07813e-08 337.8976566 291.7326025 3444.993133 4229.465021 6478.864785 1889.962293 5407.352323 9537.540794 31880.59103 28080.25374 7607.844701 730.7944328 623.9766991 146.2616777 4.07813e-08 1027.039622 186.8061346 186.4733248 19937.18476 30781.94189 9824.3409 1283.161238 3987.639104 3436.81713 2281.79418 5146.028263 4377.981676 27511.14249 4967.488046 196.1613661 223.526531 322.7007896 278.216527 600.1847138 1511.267896 4.07813e-08 13459.25975 3630.165912 4.07813e-08 388.3155687 517.9842466 635.1159907 619.6980924 2300.601599 4.07813e-08 4729.737664 4.07813e-08 (5alpha,6beta,14alpha,20R,22R)-5,6,14,20,27-Pentahydroxy-1-oxowith-24-enolide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 960.5159158 14069.51213 1007.548942 424.6973969 7880.431396 2772.57786 9722.215325 49363.69073 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15777.98479 4.07813e-08 39082.79329 479.2159046 41195.72879 22117.28197 1161.936616 27344.4971 2670.740889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9274.553353 4.07813e-08 14018.82514 4.07813e-08 (-)-Salvisyriacolide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10927.42741 517.7307258 4.07813e-08 19.86522133 3450.685494 5379.197181 23251.34576 4.96021668 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4761.906704 4.07813e-08 21710.24899 6704.408594 22972.55324 9815.895118 953.7462219 23549.7534 6.603365396 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3778.139553 4.07813e-08 14363.98449 4.07813e-08 (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl 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 2076.991695 5121.644486 13982.62324 4.07813e-08 11220.65267 2126.539767 65625.07978 250346.9439 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7307.781798 323.2914429 15755.79558 1351.907147 1008.513504 4.07813e-08 1646.791896 75880.16812 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3298.033618 4.07813e-08 Diisobutyl adipate 4.07813e-08 3964.08255 3896.481454 2894.779006 4.07813e-08 7061.05841 4.07813e-08 1165.601636 3403.966964 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6577.122673 4.07813e-08 735.4651199 792.5746663 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1451.472713 1545.223588 4.07813e-08 544.3164207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 535.983882 4054.814836 1697.165761 4.07813e-08 6237.210598 4.07813e-08 1053.504382 [2-hydroxy-3-(phenoxycarbonyl)phenyl]oxidanesulfonic acid 402527.9609 376940.5097 394133.4566 383528.2005 402875.2088 361426.6713 363141.5535 370845.3159 394473.7386 315192.1962 288261.4304 293948.9367 286689.3964 335073.8902 271490.718 377408.7067 293571.6586 352923.8574 275742.8016 284318.6412 259647.5262 294887.3586 278613.1436 295763.2422 293988.2279 339503.5887 314988.8172 273433.2181 330524.0338 278909.0527 362185.0712 285429.8068 304067.0531 288345.5538 353813.3852 382128.5792 315955.0839 290943.4735 286789.9155 267331.2224 279957.869 281054.1107 311145.9689 327727.156 334731.3463 320494.233 343525.3539 300201.1532 331666.807 313052.7899 252219.7982 310966.1283 323445.5768 377631.5212 PQQ 23356.40106 25499.67837 26452.51398 26517.15195 28958.64778 30070.59831 19359.69874 27082.30098 25736.45965 23906.51872 14981.3959 19110.48865 21749.44405 24914.13537 16918.43023 33117.05308 17901.81461 32630.60511 19072.00882 25654.82773 20780.69208 18125.29779 20236.05918 18887.42163 25168.70506 22566.38709 24662.76908 20490.18872 22113.56818 21984.0911 22314.8925 21178.14977 22890.5102 22209.24865 23278.33093 25605.07811 20533.03235 20240.50608 28821.97044 21116.79017 19629.67942 19513.33422 26376.78967 28568.81007 25482.58313 27597.06796 25655.79083 18419.53651 24376.53216 25511.045 22267.37977 15971.73678 22972.08217 25341.59538 12-Methyltridecanal 17896.56742 16853.22018 17430.53449 15893.57841 16170.91526 17831.30582 17150.75908 16080.83482 17687.31004 13270.50569 12694.80518 11628.28296 13158.01032 17212.09735 12299.48727 16482.63995 12336.03721 15959.38829 12233.52426 12480.03024 10987.08892 13791.12016 13380.0268 12246.40304 12297.91761 14700.65383 13216.37318 11385.59062 13939.73909 15573.79759 17897.43018 12846.35668 13289.49739 12111.53016 14176.74251 16777.02328 12626.82468 14881.06888 14524.07735 12392.79701 12920.90742 12073.22134 11778.28357 12849.0365 13827.33865 17545.02564 16051.09132 14682.68014 13729.5751 14692.90387 11640.17767 12923.30648 13271.57775 15912.48601 (Z)-1,5-Tridecadiene 175.4244917 573.2508255 1587.511036 1031.782937 1226.28636 1640.848713 879.4213361 265.6464563 1897.758329 4780.990082 5325.489151 4415.818203 5143.034414 4740.293796 3932.15963 6285.721434 4146.364119 6127.83726 3437.371191 3197.531068 1161.963646 1065.871138 712.9858606 2437.738559 1165.404394 3632.175701 795.4987742 2646.198321 4150.130962 4260.172865 4706.4331 5471.116285 4106.551353 3292.060355 2634.357301 5929.573754 639.5394277 1629.435362 483.5292725 321.5787382 683.0594703 322.7293014 1819.103596 2950.46952 697.3255747 3584.242679 4294.925975 2197.520282 855.2167154 189.9220856 3549.876122 1398.534594 5952.254587 2150.818054 PA(P-16:0/0:0) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 860.8295093 2131.129215 4.07813e-08 4.07813e-08 9017.782918 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 288.0348811 5096.62364 9425.934091 4.07813e-08 9283.883316 25720.45121 4.07813e-08 153.8810303 1757.829905 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6865.724451 4.07813e-08 631.4396005 4.07813e-08 148.9010068 13012.58717 4.07813e-08 4.07813e-08 4.07813e-08 4907.321763 1285.603586 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1096.006788 3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2343.689117 3081.706149 4667.68417 1346.044756 6970.741845 1464.941367 1233.179886 3886.710696 3494.142917 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 174.407586 1550.671303 4093.445034 2559.362592 4.07813e-08 1143.058604 390.9251789 717.2865667 3456.242275 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 593.0461563 4.07813e-08 3731.779121 4.07813e-08 Methyl isothiocyanate 118353.5902 111057.3429 115549.6817 119630.8145 119410.1605 112979.2324 108782.4958 109592.9531 115024.0907 92428.59284 91678.42851 90628.59314 92172.89366 101721.4615 79799.14242 107828.8391 82715.32794 103817.7431 83935.64655 83174.36707 81839.34497 87369.1046 80241.05187 81994.63239 86802.06463 97208.84143 92454.54594 83693.44873 103309.4383 89879.79599 108760.0766 81441.78969 88613.38161 84884.95075 97847.15328 104953.1776 95912.11594 81378.01216 88249.65374 77348.82338 78521.93341 85483.5909 94712.90159 97251.68926 97504.58998 97661.24638 95214.3855 84716.36615 96803.54256 92589.87942 75237.54944 91222.35725 99469.56688 112857.4233 FOSFOSAL 68509.77477 62997.69207 69919.59869 66057.10937 63667.51799 64540.52661 60723.84441 64702.2321 68454.37251 62122.44517 54826.89346 56735.42324 54285.19776 57482.27549 43670.19552 67590.65328 52638.09889 63349.19293 44961.50126 45654.45148 38998.3097 46174.15918 45454.89083 44163.43628 52500.73288 55230.59212 58267.70737 53904.79218 57902.2255 46658.02719 64120.93753 47602.23854 46535.39169 48479.73843 56681.29524 66773.92559 58242.32265 47397.14386 50946.35313 42857.46403 39314.50286 52006.92172 52937.63333 54098.83753 63508.67173 43286.84917 54603.96908 48458.06928 57269.98423 64206.7891 45505.04009 50503.98291 51036.3333 66876.13892 Cystathionine ketimine 589.5322864 450.743168 806.3058304 893.3618194 1448.564371 782.7097468 740.7953223 393.000243 620.8630759 212.8879101 83.43264776 234.877269 86.70909465 101.5675307 81.7982253 4.07813e-08 4.07813e-08 4.07813e-08 2109.711345 1888.754937 1636.246879 1465.814424 2106.079373 1950.938944 1754.599986 1742.049613 1895.031403 408.2720774 62.01972534 156.1484647 4.07813e-08 148.0911798 399.8652281 428.1031393 40.6841632 230.8794983 1198.490997 1344.036525 1254.917945 1617.85257 1879.918237 2185.067401 1663.63477 1768.284548 2370.161201 1953.431398 1220.491498 1449.826731 1098.91862 1082.187976 189.1925853 1236.379143 203.3446027 1553.366027 (E)-3-(2,3-Dihydroxyphenyl)-2-propenoic 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 2194.002341 1729.655483 2802.463803 2382.581859 2742.062208 1190.141627 1631.957748 762.0449129 1705.515925 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1033.981988 1544.939524 2143.723688 1100.178888 1634.630621 2246.058017 1625.452958 1585.418813 2297.739096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.33855694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1812.619564 4.07813e-08 1367.061245 40.02752463 Methionyl-Valine 5781.511721 8549.650519 4419.710071 7852.013669 3376.569755 4469.289683 8307.783956 8604.702138 8588.94296 1374.213581 1416.6698 1354.091423 1026.30427 742.4707365 2225.235931 1630.483988 1610.357532 1313.836622 1821.338829 1532.818605 3885.714578 1323.516174 2642.024258 1624.728278 1658.040983 1885.410276 1847.648241 1086.358791 1564.984716 996.7506559 2158.1853 1659.537731 1459.15058 1473.80199 2318.424098 1309.325476 2050.848215 2805.102898 3025.769022 3254.752438 1514.898584 1405.797646 1641.664202 1700.173478 1539.91556 1510.38531 2748.912967 2328.417821 3791.299439 8047.64347 650.2385156 1805.846773 738.4982628 1637.666288 Succinylacetoacetate 1060.937919 2928.5476 447.4546397 1092.260802 662.8636968 1633.320275 2175.91768 1942.090689 958.7060776 3056.426149 2635.186747 3288.677983 3090.043739 4146.768524 4275.670285 3081.61257 1201.927179 4298.245989 4.07813e-08 166.2746449 193.3753127 1628.566838 971.5459826 628.045767 1062.591739 3032.524864 218.0992064 4894.955695 2436.591683 4136.723819 3588.857314 4012.359009 3867.372358 3069.734665 2490.37082 3955.512217 3059.005951 1612.354724 1342.687671 806.344193 497.9029508 1036.44546 256.4664026 807.9822371 689.8113505 1958.274947 1290.602295 1176.745707 1326.219094 2450.900903 2245.402077 823.2824902 1921.078816 725.4720574 DL-o-Tyrosine 700.1649761 1239.65788 1548.439454 2378.174537 2148.409619 1303.977115 1450.311104 91.62086461 320.4917679 73.47746072 256.3109752 790.1314379 218.0059494 413.9589755 166.161186 193.0455184 4.07813e-08 46.15382918 1495.736159 1678.264391 1402.717875 1335.303922 1503.87327 1877.696955 1316.969343 1410.961159 1310.946668 37.34941431 83.01302517 270.8610503 4.07813e-08 164.4561668 611.0245171 251.0228306 4.07813e-08 49.22533275 1272.495802 1625.658902 1177.288876 1394.816424 1511.327365 1646.836406 1514.643965 1404.534812 1816.371555 1012.830881 692.120199 886.1927183 564.0834169 782.408648 165.9669978 816.0801802 135.7218138 1430.563291 vinylic Honaucin A 216.6065747 259.3849936 364.822895 264.4860471 707.3194122 472.6289397 206.9606669 390.1664537 300.0830637 143.8697185 56.6823878 4.07813e-08 115.667278 4.07813e-08 63.64467721 4.07813e-08 27.18642631 4.07813e-08 1471.84611 1340.908319 1079.935924 1055.874868 1556.312796 1353.087005 1322.774543 1693.773103 1716.139982 64.18794982 41.76298301 4.07813e-08 4.07813e-08 40.16585881 4.07813e-08 33.08154277 4.07813e-08 4.07813e-08 841.5937062 1029.367297 884.16818 1102.351476 1357.947381 1769.229181 1106.586527 1331.012363 1877.173846 944.2553455 703.1005456 1155.288183 899.3408564 935.6071252 114.2892224 1100.617639 33.07263248 879.4153468 3-Hydroxy-4-methylanthranilate 1104.003432 910.3071258 1120.689236 544.4630497 866.9290009 863.110527 807.9794985 644.1358201 712.2958735 382.8963471 260.2557098 246.9720257 352.6453807 190.1938923 209.4464291 77.68502645 29.9021278 178.9791057 1771.887761 1791.533215 1497.406092 1238.558629 1649.150117 1792.495417 1595.388544 1908.985681 1875.955458 270.1632578 402.3525445 158.0927415 118.9153573 478.370931 488.1114185 454.2901425 99.86474406 78.68590277 1070.81377 1257.732298 1227.212529 1454.741169 1630.927528 1771.92343 1463.349175 1772.962144 1725.576491 1429.559215 1206.558055 1292.613021 1272.79771 1054.914787 588.7873383 1275.669388 551.9825479 985.376542 N6,N6,O-Tridemethylpuromycin-5'-phosphate 5802.011769 27429.83483 5211.784761 4338.51054 6846.987413 3951.084757 1953.076715 23643.06031 20761.64763 4.07813e-08 4.07813e-08 16734.6896 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5166.335591 1834.529552 4095.606312 4.07813e-08 4.07813e-08 323.7888081 261.5124078 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 338.4813494 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3081.021243 2939.105279 818.6204062 2505.797354 1494.449845 164.0425652 4.07813e-08 293.1642574 4.07813e-08 3432.720456 7769.813943 11989.46636 12280.16957 26592.85996 4.07813e-08 8486.294411 4.07813e-08 2240.18099 N-Methylcalystegine B2 645.7518246 3146.602573 637.4506472 683.3057629 187.1919324 869.787961 1382.045714 2958.235246 5198.057049 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 768.4083028 475.9811204 624.9450138 59.1047095 441.4096611 2490.725162 671.7993848 150.3778022 1106.008168 68.06358143 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54.92696192 4.07813e-08 4.07813e-08 4.07813e-08 53.33538853 468.8121081 808.2840737 1221.014588 596.3148209 163.1090893 5718.255083 591.2317886 31.40998164 2515.708155 1019.039795 4539.65795 2453.510055 5074.738111 121.2550666 5035.431334 73.54458797 1994.578349 (R)-Salsolinol 391.6672456 560.3900321 1039.842657 1718.301037 1941.711473 933.9392193 1265.845973 1084.758743 643.0365323 40.44660572 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.21828502 979.1342619 3454.748178 250.3311942 572.5368803 3317.676777 2371.955846 2070.736578 888.9783964 2598.205498 29.26152896 4.07813e-08 4.07813e-08 4.07813e-08 26.64306724 4.07813e-08 29.58423407 4.07813e-08 4.07813e-08 877.0324966 781.1750075 272.0212297 1070.378731 1145.61133 2332.305296 1865.303966 1593.498943 980.5608107 2764.119434 4129.457636 1301.749105 677.9580982 380.1528305 4.07813e-08 1385.643578 63.95400155 3349.30835 3-Methoxymandelic acid-4-O-sulfate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8.241611812 4.07813e-08 2775.313955 3716.879159 2280.81698 3891.893287 6341.738057 2172.618005 2013.874312 4669.153201 5495.155351 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2582.000867 2319.587097 5575.410341 3436.270544 3325.813603 1927.016975 3155.531311 3764.808169 10959.05204 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2017.589575 4.07813e-08 2843.605864 4.07813e-08 Hymexazol N-glucoside 4.07813e-08 145.5716736 61.54035331 4.07813e-08 114.5045815 4.07813e-08 4.07813e-08 409.9596888 192.9257697 132.7258753 53.05560835 263.928378 363.8215896 4.07813e-08 303.5442217 50.68981832 4.07813e-08 193.0253929 1544.411572 1377.448169 1424.173176 600.0398212 1841.951999 1320.2624 917.7091595 1879.36249 1782.944997 313.4681976 196.0307454 147.9243315 4.07813e-08 580.9762697 603.7561672 658.0584688 1.164414118 162.1395682 405.5689254 471.9737154 1088.626215 1386.082134 891.8657392 1778.280452 706.9106416 1903.252819 1503.051761 51.66312663 293.0749018 727.9597621 1082.72306 1842.321212 593.7838992 826.6470223 47.18444722 339.8714076 (4-ethenyl-2-methoxyphenyl)oxidanesulfonic acid 4.07813e-08 0.087129432 4.07813e-08 0.628009557 4.07813e-08 4.07813e-08 4.07813e-08 0.152335505 1.00681353 7743.367809 3381.747222 3869.459093 9744.468092 2819.122476 2063.431096 1053.47061 1460.88949 2385.064378 0.19278165 0.616013514 4.07813e-08 4.07813e-08 4.07813e-08 0.579708767 4.07813e-08 4.07813e-08 4.07813e-08 2763.74976 7575.689825 3830.083219 1979.221673 4384.740455 3543.587092 4079.625835 2153.58752 3562.73111 0.410979222 4.07813e-08 4.07813e-08 0.319493098 0.195207057 0.335964587 0.409381536 4.07813e-08 4.07813e-08 4.07813e-08 0.24795943 0.216334826 0.354204168 0.00305675 7421.316363 4.07813e-08 4546.022976 0.325971458 (R)-N-Methylsalsolinol 557.2053516 438.725458 1233.84905 1943.680536 2022.636956 1107.517552 1295.303684 452.5624427 321.4615277 77.24481041 4.07813e-08 412.2350022 35.09659753 364.432986 26.04093697 154.8994231 4.07813e-08 4.07813e-08 1757.669662 2442.059565 998.81476 1698.577097 2653.70849 2121.527599 1667.290343 1907.502161 2100.214412 48.12113559 140.8093041 222.2057398 4.07813e-08 88.75441129 330.5838188 70.06281614 170.3690422 168.6213975 1044.213807 1821.94567 705.1839567 1592.651768 2280.593083 2514.603807 2387.039926 1808.954259 2687.787923 2255.259953 1544.463129 1279.258577 888.2533961 547.6917835 104.7618112 1044.782149 4.07813e-08 1849.433302 7-Desmethylprazosin 156.985119 656.319419 52.9507596 202.5426965 23.91797417 78.10845282 4.07813e-08 148.6144511 1754.683225 2520.899746 532.4885197 2339.674626 2903.600587 82.92831452 788.2004439 0.155571001 2299.420837 271.344382 129.5523825 188.0805609 316.1538794 81.44369609 340.4015471 205.3068543 102.7589296 373.0851405 245.8160591 2671.07366 2087.49488 4179.777591 823.6841239 1473.620162 952.3202362 2388.916772 1309.005862 357.4663405 1039.741207 123.7148515 340.0757695 185.6756341 61.05377435 697.0877452 19.8464387 508.800768 339.8557463 101.9826721 200.7802004 35.64997647 386.1960207 1895.107643 5144.038739 504.1107188 2802.267117 47.18817458 CAY10397 0.601151257 1.422229645 4.07813e-08 0.710444366 0.062927583 4.07813e-08 4.07813e-08 4.07813e-08 1.351802438 261.3203633 1721.554952 39.35813554 132.6974894 4.07813e-08 266.2691111 5450.591674 7274.663821 4.07813e-08 37.08756207 63.3630474 13.72879862 4.07813e-08 13.99649997 4.07813e-08 0.325424307 3.262866837 0.325792944 3685.997043 407.7102244 6744.70125 237.6842055 4681.537724 2341.859922 582.2986693 4915.526471 2625.541709 7.024014992 4.07813e-08 1.050212395 4.07813e-08 125.374559 0.88211861 49.3087005 4.07135078 2.02042636 4.07813e-08 4.07813e-08 0.015005237 6.461589775 25.18107764 483.2018362 4.07813e-08 1236.310145 4.07813e-08 Linalyl diphosphate 275.3322541 165.2509443 62.21691452 437.9283259 120.0529191 4.07813e-08 60.40378745 300.2338427 61.01163897 1672.17938 1358.721127 1937.377082 1721.996584 1270.21667 1778.296643 576.954267 882.3058892 2545.441686 4.07813e-08 4.07813e-08 88.04773953 16.69204129 4.07813e-08 4.07813e-08 47.93225415 136.0097162 50.06049835 1915.577409 2019.918602 1516.140283 943.3698652 1993.191705 1548.953694 2562.053828 798.7255985 1356.313112 525.8204284 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 70.02589012 4.07813e-08 4.07813e-08 182.4126916 4.07813e-08 12.46365367 4.07813e-08 58.54871636 846.5501641 2800.222968 47.48257352 1373.631268 4.07813e-08 HET0016 367.1951149 4.07813e-08 49.91296271 51.74070226 215.6923865 144.8895236 340.118838 86.0266424 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 651.2721929 992.4786765 128.5232104 616.9363488 1126.042235 1200.864633 1038.25482 768.1779814 1028.282097 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 337.3103621 576.3722543 118.6986072 585.8135896 835.9021259 1078.734696 1178.156846 725.2292978 1130.97827 752.8063171 541.4999585 381.857167 104.3606321 31.0107451 4.07813e-08 286.1150951 4.07813e-08 865.0073896 Methoxybrassinin 647.4133514 1037.777418 439.9762332 572.6238062 882.2503693 337.9627804 694.6189137 657.5147013 878.5251667 1942.239909 1996.007065 2444.959763 2002.321113 1452.478479 1062.013233 609.4472412 1261.764474 2252.195919 1305.880762 1779.373616 768.2403123 1097.574105 1427.40889 1544.499389 1194.84523 1666.894253 1632.257389 3401.499672 1835.610179 2100.305922 634.2748439 3160.106722 1528.744006 1462.379537 783.0970957 1326.857184 522.9736989 1370.167269 894.6169122 833.9199259 1256.896993 1209.755704 1369.947219 1242.324896 2162.090639 648.694559 838.4311552 691.9390003 721.6377499 869.6499077 2496.979267 580.3866305 1186.315115 1269.738262 3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylic acid 118.5221672 774.6793832 107.5638942 314.5423892 4.07813e-08 4.07813e-08 182.2193334 64.73171292 92.54533008 1919.807981 1590.836531 1827.451681 1910.587 1298.847185 1332.188878 956.7861162 866.3087851 1584.44693 275.2793778 473.9688296 201.9514875 75.79098668 4.07813e-08 4.07813e-08 69.96834448 364.5112904 4.07813e-08 1391.500482 2169.855627 1387.640787 1305.415579 1864.78263 1918.26109 1875.302124 1036.387274 1579.296395 634.4030659 453.6193893 68.08834564 4.07813e-08 106.3469331 4.07813e-08 4.07813e-08 176.6924283 4.07813e-08 4.07813e-08 4.07813e-08 60.8608307 143.7090228 495.8698901 1777.12674 175.9690488 1570.781728 166.0000092 Trimethoprim 3-N-oxide 1542.297258 260.0301763 303.693772 1272.167102 1752.353485 544.0483896 2081.589105 1588.977457 637.5880917 1049.681045 5124.064996 334.9265927 746.2607737 711.3896323 3860.374388 6021.482307 13344.42471 519.5306045 2764.989335 2576.011474 842.6343291 2119.088186 3320.131601 3410.137946 3060.547137 2864.579947 3292.351488 4007.475208 685.5503491 8508.990971 453.5162907 21552.0576 9590.466497 3205.441724 3784.048027 1607.162959 1820.106669 1343.8755 362.182673 1726.257131 2984.959574 3028.253958 3314.770646 2335.127609 3958.564131 2452.478623 2536.65112 1965.804425 1188.366372 841.8215902 4252.150717 2161.350466 5154.273244 2847.955791 MBP 1 836.9606378 871.0028419 890.6813387 538.2355992 789.5179407 1004.366423 3420.912328 1854.691664 1451.346321 1262.322284 4.07813e-08 292.0259784 1196.601523 185.0398489 371.2592142 4.07813e-08 557.5807287 2693.32549 2359.481669 2132.223874 2713.73105 1107.751754 1894.883837 2594.993125 3623.148028 3243.721353 3904.158762 803.8654706 380.5480512 685.7017286 357.6469262 517.3188715 478.1112376 159.5596872 194.1612643 1069.36402 825.6940615 1063.913889 1632.659149 3111.112225 1134.12291 1495.015062 2309.467966 2966.962625 7242.01993 3386.374455 1820.484451 2679.835903 1662.571428 1733.571309 1679.839732 1216.528094 219.9257715 3270.762578 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin 6039.520366 6808.053159 9698.20886 10563.02879 11946.18567 9862.708191 9590.106602 9522.834532 5769.793363 569.1411492 635.1560784 799.6855967 668.5996093 444.3968848 48.84088952 853.6693356 1419.242555 4620.156551 7201.537317 9519.13047 7451.231727 7992.692612 9303.664309 7273.832054 6404.389082 13514.79983 12433.16044 1046.302765 1790.505568 2464.913372 405.4376175 836.8692581 920.6995873 424.8089111 965.9562852 541.2936292 7351.032744 8105.998003 6665.877327 6062.31521 8259.559056 8647.252325 6698.550618 15274.81714 13950.17102 9265.68196 5646.851919 4327.381577 6919.148382 3753.309096 341.7360289 6508.39305 526.3264007 7732.614896 BILA 2185BS 4.07813e-08 2221.40988 171.5358122 4.07813e-08 4.07813e-08 222.2198554 583.625312 1654.486921 3437.775295 843.8446438 1417.815617 2878.974368 1039.363425 4132.364576 876.4224339 4.07813e-08 1262.10972 1098.509273 4.07813e-08 4.07813e-08 267.2511153 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 155.5822729 4.07813e-08 565.5196547 652.2085715 650.637564 1162.377631 2137.885869 4.07813e-08 142.8789273 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 618.0554628 139.8792553 4.07813e-08 338.5583655 149.6002763 167.387018 724.8425272 330.7467652 178.5376383 1711.677972 4.07813e-08 Angustine 2386.60394 4372.977375 2210.953647 2057.115174 746.678385 2534.802935 2786.711686 1524.79498 1360.02074 3615.012071 4002.162628 3720.238979 4534.340628 1369.513525 6988.083577 1134.45623 3708.9405 2124.245534 923.7049103 834.119531 1064.965386 1518.95571 1785.251679 868.4179274 1400.383641 1313.095893 1258.316309 1395.095451 2330.467528 4414.544449 1929.773225 2186.582778 2068.278114 4438.249163 1754.578743 1004.999856 2901.332756 950.2533206 1467.683144 1181.481633 1493.723817 1840.339634 346.0698656 1632.206193 2752.463501 1469.444594 658.7762307 2376.084942 2089.71874 3316.109975 4344.795561 1469.794295 3742.069217 838.1033519 N-methylundec-10-enamide 1682.945653 1129.203767 1439.58075 1880.12895 1672.964022 1461.377075 1268.075957 1499.899058 1316.324149 649.3016671 782.7786958 1018.993698 1007.820195 1141.983165 900.0499266 1701.034337 771.9826069 1184.871638 852.590939 1103.87818 1035.400224 1307.14752 828.8516642 812.6552954 1187.909755 783.8489043 934.1883336 872.1235098 1112.961159 1486.617951 1672.659621 779.578915 1120.816497 645.2235034 713.8185681 1301.498245 1218.468882 1303.900474 1056.113332 1028.394154 1185.116433 781.0314525 954.2566619 1078.562152 843.9853722 1231.105714 980.7418488 1229.443476 1034.750358 660.9367659 353.8579403 1016.620912 1354.277265 1224.17889 OHOOA-PI 254.9199978 882.0944287 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1041.142064 499.8001096 450.8788469 15225.77045 7959.884426 18238.60112 14267.81422 5259.527589 22074.98001 9304.511289 1998.769859 10039.01614 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17571.87791 9476.847658 3837.895794 11375.94775 3220.771747 9954.602709 20040.74224 5497.755037 6993.645803 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56.36563865 4.07813e-08 1020.096647 4149.192058 9584.766836 227.8520865 7448.569254 4.07813e-08 CAY10568 504.042834 299.1440011 398.666896 709.5549734 492.5942544 530.3412567 375.4633947 258.1413418 227.7182707 86.62061269 45.46218311 35.40813168 78.58241209 4.07813e-08 112.181188 90.0997258 4.07813e-08 157.1987629 799.6100275 662.2829413 1036.590105 1169.772165 735.2912684 695.8449362 774.1454118 1542.80888 764.163855 527.7571632 195.2654843 237.8681612 360.9616689 184.3458021 268.6089798 234.0165625 95.94997099 183.6741816 998.3144619 914.1242557 879.0023376 822.0510826 860.1194929 770.3867946 618.3483088 1314.327075 1437.961012 959.217304 527.2675574 1104.840307 1055.773646 1054.032777 175.253464 767.7234889 348.4933848 806.7867521 Methyl heptanoate 2628.897601 1940.807704 2508.716057 2161.250398 2851.828401 3004.277346 3114.427983 2308.243618 1769.883501 456.6668124 310.9871893 233.6503374 192.6760565 438.2617696 423.3551195 581.9400803 163.3923977 607.8334953 2767.351939 3232.909935 2389.023049 2894.345325 2757.10514 2985.701133 2987.199296 3290.122511 3338.875674 283.446773 332.8425162 578.5480013 523.5134641 460.9904947 471.5067987 333.405454 948.4365417 492.3601976 2561.827947 2690.682339 2215.915161 2454.670931 2842.191818 2561.46777 2910.945721 3217.277771 3344.787212 3326.022541 2373.404267 2439.409076 1771.86593 1660.227191 465.4421122 2087.941565 349.3895444 2352.144981 Dihydrorotenone 94.62794092 666.9040286 4.07813e-08 311.0481723 58.59158536 38.9146823 531.5918622 461.2097833 269.68955 1874.565521 1865.837448 1711.348757 1469.251977 695.8191541 1421.164451 355.0913821 1551.361447 1461.559831 166.9589011 246.1715736 127.9656528 180.1836239 221.9782353 75.54876121 118.439573 80.18663015 72.56987605 1174.706944 1688.1345 2170.510103 1352.209382 1971.512656 1179.226625 2859.545473 987.2743016 867.588291 153.9115626 149.6847351 144.9205464 44.01726013 138.8148185 379.7038194 4.07813e-08 26.63307285 385.9831635 136.7392306 23.9427194 41.30973636 136.3675869 704.274308 1969.057225 149.6119476 1594.231656 116.0835704 Tryptophyl-Lysine 1867.033936 3359.820836 1582.616334 1355.414662 663.2771314 1618.175904 2629.809403 4094.613003 4223.153188 87.80875754 92.3149843 140.4724757 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 134.520736 0.999144805 399.9572116 905.9539485 1372.104205 232.9712831 251.5611868 216.3432705 584.3265099 598.1725872 706.7524435 82.8245571 69.14667912 478.6436952 73.0162644 119.1646312 390.6434549 13.9164439 126.5314248 75.81016173 640.7575969 425.2712795 1173.000869 808.8507638 692.8241632 324.5391331 128.1731749 514.0363755 610.4808076 473.0559075 2208.565675 949.274929 2126.662448 2999.684485 262.794197 854.3977075 413.5074942 613.734801 4-phenylbutanic acid-O-sulphate 4.07813e-08 1438.984443 4.07813e-08 120.3087584 618.934791 4.07813e-08 61.34474021 336.8317832 511.503324 652.3042863 799.0526348 1303.463652 965.4128513 1242.480459 273.7010143 545.8895398 938.0231877 1749.416981 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 611.4835859 897.7486666 4601.887946 437.6924831 1282.403687 1100.194356 848.3334362 1423.330522 4416.550325 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 191.622434 4.07813e-08 601.6120443 513.4639904 1260.979162 108.1936313 1115.212085 610.3405953 6''-O-Malonylwistin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3565.37887 2659.247581 5906.29388 3590.543462 3865.903161 2085.905727 1710.906592 1777.749152 2238.261416 8.904627494 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3118.218221 3741.74821 2787.646683 2812.827736 4855.692969 4305.362939 2220.074769 3129.04155 2995.974217 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 120.8104263 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3964.946491 4.07813e-08 2606.235233 4.07813e-08 1H-Indole-3-carboxaldehyde 113485.9635 59363.37651 81464.98378 68938.5501 98679.28721 62632.65067 49330.28386 74570.46141 71025.80681 2095.209516 1795.526786 1670.990189 1657.295265 2343.740826 1893.487858 2023.430539 1815.755169 2073.196933 152519.9649 143189.4317 123850.3474 146200.7117 170561.4819 30973.66387 124868.7846 165323.5368 93840.82213 2288.363574 2347.329619 2575.559189 2817.409639 2788.887988 2055.831077 2008.849313 1867.661287 1906.970858 72761.50929 95272.50158 98548.13025 73662.77083 151610.7229 130782.4859 34204.89 135453.5359 256948.1364 25661.61604 49364.08859 71122.36232 86386.15884 52926.7005 2110.045104 75378.59926 2093.860129 59664.78671 S-Methyl 4-methylpentanethioate 1663.375847 1468.152145 1715.329617 1560.677227 2791.174007 1562.944723 1808.344135 1522.937976 1152.571717 1760.429275 2401.367723 1286.122244 1727.420608 1042.028526 2979.544832 822.9158043 418.0640615 785.9523422 2031.247417 2218.090028 2073.472276 1620.927532 3049.204615 1617.483913 1938.008723 1319.071215 1942.348271 716.9996787 1032.08479 1419.85627 453.3493338 993.6576818 1064.245399 1255.553858 616.5242668 1441.075334 1087.952271 1625.151399 1440.238557 1646.577104 1750.591061 2796.205894 1605.086852 2076.491357 1789.894283 1596.746481 1985.055888 1742.954758 1987.138907 2166.664421 884.0058449 2174.124418 1087.18225 1938.429341 Cucurbitacin D 791.1259817 8520.341446 4.07813e-08 811.622044 4.07813e-08 2793.174924 228.2688122 451.3555943 3142.893092 18043.27568 24085.70231 14534.68591 44475.78415 35344.32824 6180.647261 4641.824834 1855.386014 239.7758544 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.373609095 4.07813e-08 4.07813e-08 103.0931844 10513.33229 3476.697101 4.07813e-08 3452.840269 158.9387042 13327.43634 6927.638217 1573.295843 2323.445086 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 28.8765778 4.07813e-08 104.482128 148.5114774 17340.63851 2192.038662 7374.178538 53268.88785 5130.566478 1092.900735 92253.74682 10399.02165 Bis-(4-cyanophenyl)-methanol 1973.349106 7319.457029 9.809103889 288.2956064 4.824358272 32.72079864 514.9780641 4.07813e-08 186.3240185 9904.369663 8267.200228 33178.55794 10170.14642 2504.754473 18640.31139 12655.60668 100119.8165 274.1587835 33.0918508 37.29673825 5.706860546 34.36226125 42.5440146 42.21770188 4.07813e-08 33.23376717 70.72620642 11473.76646 9043.234366 74061.73213 7101.269971 6165.296984 23945.19445 22401.38749 45518.11161 1003.673049 896.7404455 49.3426294 30.56600295 29.15218778 64.67638302 40.47595597 31.52804569 18.26601731 68.38033363 38.24284305 262.6938313 1193.386356 2278.890702 106.7513088 37545.69416 586.6068107 22609.07117 27.01321742 2-Hydroxynicotine 718.0482865 558.7328973 1051.961157 864.9998628 1375.882415 1079.965997 868.101316 767.297905 479.6837792 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1694.118826 2278.658479 500.3847735 1050.938178 1891.387914 2386.625995 1713.613175 1084.624152 1698.414463 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 890.1057576 1638.259764 767.0984873 1221.098202 1584.476079 2054.692249 2556.115855 994.3468591 2003.683886 2295.285856 1427.452735 1292.04959 696.4034098 426.0330894 4.07813e-08 1065.539901 4.07813e-08 1619.610519 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide 185.5226112 2383.330336 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2020.221662 805.1507271 2008.573755 2848.316007 317.8818785 3077.992615 949.6577362 12799.26941 127.5469945 4.07813e-08 4.07813e-08 63.57566562 4.07813e-08 4.07813e-08 4.07813e-08 39.36891033 4.07813e-08 4.07813e-08 3227.210961 695.4991773 4254.675718 953.3800193 1450.213499 2241.741031 2190.491807 2799.624562 67.50466499 250.8268276 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 583.1440649 353.4824464 127.3125928 8622.543162 4.07813e-08 2800.988728 4.07813e-08 Asparaginyl-Tryptophan 318.884174 527.2645742 131.7682801 1008.927077 276.6214821 98.86082233 825.4190243 338.0182099 483.3256799 816.3592675 1474.951542 182.8632546 1047.418945 4.07813e-08 1158.180736 197.6624312 750.025503 193.0226718 1007.377752 921.782081 1218.195551 585.1809966 1039.48078 701.1763577 1227.405397 973.183097 562.6612717 1403.906825 1076.466101 352.8287695 364.943941 2059.129504 776.056765 1504.104815 64.76357644 310.3222487 434.1468405 372.842204 407.1963185 57.22770688 700.1553949 993.2942701 397.9954704 624.4802313 676.9838189 825.113148 1316.763789 525.4173499 1116.351408 2146.697596 1237.190696 1062.479082 1845.211557 843.7912539 Shikimate-3-phosphate 10662.41571 11317.97116 10363.23996 11104.38713 10965.03828 10455.85042 10772.6077 10754.24454 11686.52174 11496.04032 11063.23244 10580.33379 11705.31615 9287.353383 10522.43249 10863.42388 9207.812243 12527.42081 8320.881673 10038.61151 9556.527919 10595.54841 10670.44887 7775.968796 9035.008878 10109.72094 10966.46835 10334.22715 12090.81015 11238.74988 11590.21771 10673.93029 9925.909066 11614.91686 10342.48728 11460.07524 11262.09678 8701.225138 8951.586157 8448.204734 8578.424898 10194.31671 8856.582911 10426.69237 11360.29984 8511.666133 9069.552391 9523.951866 10302.68309 12852.14532 10316.91449 8491.258779 13121.32197 10631.02122 Methicillin 16.68769245 4.07813e-08 4.07813e-08 4.07813e-08 26.60924496 24.89631922 4.07813e-08 4.07813e-08 4.07813e-08 1493.595643 1219.404446 3054.186616 841.4864385 6428.889659 3665.35541 10411.07704 5381.255927 987.4938637 22.8017694 4.07813e-08 4.07813e-08 4.07813e-08 30.43692307 4.07813e-08 4.07813e-08 19.08782104 4.07813e-08 3643.550525 1230.130694 1153.740659 1733.326517 217.0695312 600.6776797 396.833204 2955.422347 7484.198986 4.07813e-08 4.07813e-08 16.77650991 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40.15815023 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18.28361974 25.33478237 4.07813e-08 7,4'-Dihydroxyflavone 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 1714.197637 2638.842892 4073.084953 1569.917515 7900.461419 2239.45518 4485.648664 2417.379895 2884.329238 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19.95777619 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1238.275104 3215.888299 5768.556543 2753.750864 2347.743191 3017.80504 1099.117228 4048.315068 5763.00513 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1499.396439 4.07813e-08 2003.818786 4.07813e-08 S-Isopropyl 3-methylbut-2-enethioate 2494.90351 1904.549053 2527.010675 3229.65156 3528.261255 3155.883092 3049.083691 1747.465622 1583.198886 967.9035131 1020.744731 642.1633782 243.0794128 244.8765001 910.1352475 187.9181751 219.6147447 1222.303807 3807.528917 3065.462653 4568.995076 2720.424549 4817.458216 3757.201506 3753.275808 3296.570145 3926.955536 525.3026585 579.1501348 549.092375 103.6678711 459.2037323 4.07813e-08 222.896428 4.07813e-08 1342.070025 2859.274461 2384.557433 2773.631213 3602.232884 3744.927213 3642.165502 2948.297906 3956.799736 4235.168014 3320.56198 2893.452048 3048.543452 2059.58621 2806.093495 806.0678814 2682.947706 1001.543874 3106.05521 6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-6-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy}-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 24213.31835 30040.67491 21114.07929 18891.30527 25547.17994 8368.557358 16165.43682 14840.31253 16578.0267 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1132.025828 4676.73077 25830.9523 3129.298839 8324.052801 7171.572804 2663.049056 7835.105055 17999.46596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3380.193012 4.07813e-08 6366.055239 4.07813e-08 NS-5 7728.106721 21628.21602 4193.196931 9537.83409 14393.03588 34136.68572 13962.05924 83806.33517 64982.51533 75306.17088 290435.7698 150699.719 69314.04448 19584.65633 154587.2625 48028.32871 208063.2669 195049.214 1030.897511 1423.768902 327.6450615 4672.258992 176.5444918 223.3579984 2766.237542 528.0385076 420.4842839 57623.22279 165291.7337 171774.9921 4292.328417 97099.30919 32320.16063 287380.8376 55867.45667 232041.9408 4593.020784 346.9756474 175.3063018 132.9196326 787.3785025 137.1279094 352.7744505 449.6027288 185.3199262 283.5528446 89095.64221 14993.59592 41050.63716 18533.66544 424015.76 24670.94302 573952.113 53494.65946 N-Phospho-D-lombricine 5444.792476 5444.108351 5432.63217 5419.709109 6196.747664 4435.61341 5879.826209 5634.869504 5812.816166 6238.471413 5626.202203 5435.04422 5851.528514 4562.485054 5112.958093 5533.811837 5911.692919 6389.238347 4955.149437 4791.575974 4744.345681 3933.854454 4412.040066 4457.458051 4606.062911 4157.573558 3945.553911 5936.367029 5557.483211 5588.682244 5059.678524 5762.084325 5005.85005 5784.418405 5400.194618 6433.570561 5411.412902 3832.169902 5006.499305 4674.82038 4857.171777 5935.411297 4042.43481 5221.037636 5965.491789 4123.205679 5578.452853 5035.304798 4871.380415 5095.911391 6492.493849 4716.669983 7743.151654 6169.837519 Trimethaphan 8706.935097 6058.821215 6198.029763 7837.841211 9966.235163 7097.888259 8602.882824 13266.39039 11775.88592 2827.22019 2171.662873 218.5329208 3449.141549 652.0738638 1093.74963 4.07813e-08 733.9952839 418.3599048 19967.76885 14389.01017 20553.06519 12671.82799 17434.82564 14966.81062 11961.58654 6961.337326 10992.09491 608.9330748 948.3694266 513.8874219 496.8208945 1326.99815 772.6509677 686.0842001 1.802352203 522.4674196 15064.37974 7736.099538 11492.05815 13295.23968 15606.77014 19353.52197 13404.20987 7016.155951 15053.67549 4503.173988 7063.00857 9949.829583 8489.916406 9798.826027 1429.628687 9200.997727 1074.317402 9207.032507 N-Butylaniline 1176.89485 1212.298824 1943.706382 1984.470242 1951.29923 1446.241194 1263.980143 1636.086654 1372.57411 1614.893807 1312.750776 2573.598843 1985.264611 1116.913596 1062.753277 1455.723635 776.122794 1673.128796 1341.516036 790.5740534 1621.696753 1421.204168 1351.368986 1118.760317 1550.870798 2817.233947 2627.083217 1511.426028 1078.934685 1633.952083 1318.294279 1006.204032 1669.798761 1186.627447 1397.451301 1185.946544 1457.211053 1033.922371 1625.862439 1386.672904 1381.402605 1877.572817 1068.552123 2917.50721 1409.201342 1129.035398 1260.890657 1707.262484 1546.983797 1436.036106 1005.847792 1441.534985 1492.134764 1713.371126 Quinupristin 4.07813e-08 1828.026829 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 696.5966272 44842.30575 50327.74743 30275.005 134837.417 104140.4669 1654.690328 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 58423.75193 4.07813e-08 4.07813e-08 4.07813e-08 232.4657797 28210.70536 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11642.27867 4.07813e-08 4137.446745 11095.37196 13674.14687 4.07813e-08 408736.7379 8400.963607 Acetylpseudotropine 151.6632533 329.3791553 176.4276462 258.510787 62.29402591 204.3959949 177.6227858 182.8149592 4.07813e-08 347.3581392 376.9008728 315.7861259 437.5343559 177.2333518 349.2927441 249.2593323 125.1636396 112.9904085 374.4582524 624.3756727 174.0559468 45.4764058 488.1481054 694.2443475 185.2774365 334.2762077 478.3710193 323.6783345 431.4805334 206.5369292 275.5473117 415.9006582 229.7894987 540.7350444 4.07813e-08 123.7529755 319.8389129 260.579639 102.9332416 243.5457449 327.0823575 534.3475225 382.791843 471.4571966 259.9903349 292.1044834 254.6634447 382.7950349 45.04213191 281.6495503 691.1077703 294.2993633 258.7096627 275.8731033 Dihydronaringenin-O-sulphate 105.9339446 4.706998802 4.07813e-08 19.21905167 4.07813e-08 106.2540278 4.07813e-08 17.9394667 7.041913651 3206.306223 1668.770985 5203.018863 2267.215261 6149.204728 2137.770648 1967.375017 1048.002202 5414.545676 4.07813e-08 4.07813e-08 1.883715686 4.07813e-08 4.07813e-08 4.07813e-08 4.166151025 4.741793445 4.07813e-08 11.76440375 4622.017246 2355.388992 1922.544752 2337.109929 842.8285496 582.064754 253.7638547 5932.722534 31.12202636 4.07813e-08 4.07813e-08 7.903620274 4.07813e-08 0.633735803 4.07813e-08 60.91909535 6.737254301 4.07813e-08 5.781674062 6.313464006 5.712459604 107.0170987 20971.53274 88.74386474 28108.39433 16.75418035 Prinomide 587.2338594 93.70222805 419.5877193 110.4324428 13.40583768 350.0789298 107.1124848 319.2050656 387.963129 32.49801657 4.07813e-08 20.35934082 31.53787524 15.73850388 7.529829542 4.07813e-08 39.02902097 24.86914902 813.4964756 837.3029638 618.7514354 497.954664 979.3017326 1143.333321 925.8991874 968.8926127 1078.514115 4.07813e-08 27.69465403 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.19272666 42.48429454 28.73371717 465.3216709 301.355819 342.2366719 827.5967825 802.5701654 841.9278472 786.4989567 926.782669 1148.858053 625.8552399 356.6393953 462.6750249 481.7655904 396.0755619 120.0725001 445.4947546 4.07813e-08 667.3782205 omega-Carboxy-N-acetyl-LTE4 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 90.10948643 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 519.6259484 4.07813e-08 1400.998838 347.5089954 627.5332415 5766.933634 1217.828394 16920.45352 51.40758106 4.07813e-08 4.07813e-08 146.249661 81.56028751 4.07813e-08 4.07813e-08 22.70053339 4.07813e-08 4.07813e-08 5889.135658 2579.369765 4.07813e-08 2162.603429 4.07813e-08 4.07813e-08 197.7256869 39833.55661 550.4349076 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 202.806788 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15028.42149 11123.97894 13694.74361 12674.23348 13309.28836 32949.82371 11510.46303 17418.93149 17540.53625 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38844.35261 16280.67059 6266.760642 22582.44584 13582.60585 21688.57708 14484.07201 12197.07127 16636.08046 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 241.2840633 5005.287246 4.07813e-08 27288.8128 4.07813e-08 Sakuranetin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 35084.58157 36656.15244 24961.41234 23899.53025 46511.4137 14488.79941 26550.24951 8790.010723 30353.5181 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1079.938026 18016.08246 17002.00737 11905.87532 20531.89225 5738.08357 5586.094136 6773.72219 16262.87138 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8146.834755 4.07813e-08 22548.70251 4.07813e-08 (-)-Maackiain-3-O-glucosyl-6''-O-malonate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21783.00555 16817.3573 18403.67094 23967.91668 11870.11381 21402.24417 7104.388007 16575.80888 16801.48883 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24619.74887 20634.7263 10470.70856 17289.84413 20101.78656 19654.11359 25290.81678 10490.72195 13401.38088 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15478.59628 4.07813e-08 22526.36696 4.07813e-08 N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfoxy)cholan-24-yl]-Glycine 1531.434122 2211.423302 303.5097367 1562.350852 3030.434964 200.5972494 24.53371853 171.7043437 7967.228219 3896.159877 9484.798613 14392.80065 5841.415952 39435.29567 10121.16591 8062.229671 15507.74711 10596.10695 319.1892178 4.07813e-08 4.07813e-08 187.2779222 4.07813e-08 159.0951631 12.07772544 167.7922701 42.81656784 7759.732707 1351.305672 671.2612829 1498.766541 981.7505582 1463.445219 1218.374893 2405.099016 4438.676232 380.075353 4.07813e-08 4.07813e-08 4.07813e-08 20.5063595 4.07813e-08 4.07813e-08 4.07813e-08 42.9424383 53.70584286 1340.782284 242.442167 893.6810465 663.7009184 3335.383139 313.0042208 702.6091148 156.9727326 N-Methylnicotinamide 658.2751398 736.3303727 820.1670077 841.0216162 1117.633091 866.2970349 750.8660799 290.4771991 550.0974646 219.1371054 228.8419915 276.4519513 297.1268311 139.9026168 477.3725368 179.835155 4.07813e-08 110.3350177 1095.679297 1146.473927 1021.578606 1119.306177 1426.862337 1179.584625 984.0759484 1158.236897 1292.382152 4.07813e-08 160.598404 149.7015413 372.7708174 358.9626801 253.205406 506.4454777 4.07813e-08 182.255649 568.3956201 913.6735238 863.1408095 1035.641262 1401.321662 1144.503635 907.2947012 1532.134779 1741.313249 652.6248734 709.5274929 827.9339957 811.9027459 748.8833485 315.8586836 686.7607209 79.35481099 848.7113159 12-Hydroxydodecanoic acid 874.6379555 434.8341274 624.0206467 1537.766124 1334.438613 1900.661011 660.7324384 600.3080326 199.8926241 4.07813e-08 4.07813e-08 99.14416842 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 67.58343461 1488.808662 691.8836098 434.977653 805.5696796 892.4543325 1328.011998 716.1480839 70.03201513 378.7663654 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 745.0442508 797.4337367 376.6632091 630.5490423 309.4068824 1292.587275 1202.288576 471.8210494 83.99638236 644.1162282 555.2237512 546.7736331 342.0674901 338.9041049 4.07813e-08 720.464791 4.07813e-08 1037.18787 Cichoralexin 1568.986546 1475.149584 1732.245784 1810.474107 2811.502719 1979.367226 3876.556447 360.3902581 1251.645362 4.07813e-08 133.7995022 89.12295516 4.07813e-08 4.07813e-08 4.07813e-08 89.11232314 4.07813e-08 4.07813e-08 4306.606902 5558.06402 4634.807251 5542.874311 6787.020244 5164.635485 6045.037399 1167.720981 1761.251012 4.07813e-08 4.07813e-08 169.2014105 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.35888507 2266.064658 4658.674548 3506.26573 2938.400356 4751.846115 7132.293424 4231.332607 1391.770712 2181.480947 4354.231745 3201.854078 7316.794023 2542.978914 1835.648411 180.9548327 4279.126967 4.07813e-08 2506.806499 Dibenzylsuccinate 4.07813e-08 1404.373313 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2043.743026 8621.686726 4091.429528 39862.35529 9397.527636 122996.7039 58838.60112 36797.25342 36606.93582 46503.26292 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14409.55183 5576.628504 4.07813e-08 22191.38215 6934.912879 980.7002691 5577.959737 20422.64953 3518.900817 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6768.252208 506.5000328 10094.90573 4.07813e-08 46694.71297 455.5008587 2771.116527 231.4525264 Makisterone A 13639.39131 49706.88307 20502.60501 14392.7857 13881.58593 19181.49752 21019.76235 56855.33557 30299.55161 671.1545147 2065.392419 6389.017735 861.3255484 15191.07828 11689.39225 6021.2144 11310.66292 8104.441686 9669.476481 6923.895058 25885.49274 15695.18655 7616.039332 1183.287355 7807.050143 2045.929142 4.07813e-08 5628.345333 1980.802073 4.07813e-08 4.07813e-08 433.7983108 512.5818329 1677.4165 1023.202075 4.07813e-08 41132.5251 8106.967987 23640.92481 18597.53431 9483.366838 10049.86981 1783.259945 2313.13503 803.2444063 12596.04255 53376.84693 27400.39711 87315.55125 46600.98762 2287.267704 45485.75035 4.07813e-08 9032.715177 Dihomoursodeoxycholic acid 6668.56576 6297.00647 7045.359125 8519.247416 6257.283527 11901.09534 14087.41922 10088.01517 9329.664962 143.3753083 593.207715 509.9100201 285.9798233 237.688918 294.2733357 4.07813e-08 411.1476097 460.7498468 11654.36918 12686.67409 12852.41369 11235.04221 24392.89414 17380.03382 19296.57979 4871.734052 10833.3584 408.704731 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5658.25303 9546.663482 9776.622283 10790.92585 17416.3088 13958.37963 18333.7589 2855.392023 11752.22964 40017.27204 10868.45708 34669.68228 4943.53099 6572.595709 4.07813e-08 13834.0234 4.07813e-08 18493.92923 N-Butyl-beta-carboline-3-carboxylate 902.4605227 350.3324189 577.4193295 619.90702 532.3243367 590.958054 572.4853931 851.7891285 378.6604229 2163.676784 4499.108181 4123.936904 1510.138043 9397.438233 1784.015866 9338.895285 5388.867026 3486.274027 1565.28983 1422.917104 875.9291034 1096.947121 809.5996391 1467.671954 809.8282091 1153.757354 1373.748787 1326.818747 1507.928466 7804.632695 709.1660129 4223.108927 1528.433346 975.4177423 2807.340374 5773.765078 203.8560863 1203.590117 950.5767911 943.1242234 1096.804047 665.7974783 1400.224329 1455.604814 931.568885 762.6282771 317.0857892 517.7909473 1021.372727 562.1071949 1384.425208 1127.919876 1406.541055 1149.699188 Dihomochenodeoxycholic acid 2590.044528 4973.691143 8278.505952 7120.484886 6752.013401 9602.831426 9689.414178 12288.49835 14698.13473 1770.498827 1019.668239 47596.56583 1033.227931 27718.51381 31807.125 14166.72673 58320.30836 55936.17834 13475.33869 12317.21385 17327.84602 17049.06777 14513.63543 12248.86902 14662.60892 13142.54974 6655.504782 12104.1354 210.4173603 8903.663012 510.2632964 3960.361818 3352.541921 1853.658579 17529.04679 2762.68308 10064.86534 8453.585156 11765.6734 21131.13241 21963.31907 9406.466318 11249.70947 9967.224488 4125.81918 22373.57876 13666.99915 61921.93381 11934.04094 15752.40578 4858.073386 26750.52 4.07813e-08 8497.355179 (23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone 34500.05498 30554.73337 28971.45085 1384.302312 4.07813e-08 26280.28416 3171.419302 57965.05728 33989.11847 4.07813e-08 4.07813e-08 42870.21637 607.8792488 25906.32128 26779.76976 3549.384848 108018.242 9593.439655 3733.518598 4422.203306 29499.79355 22267.57712 4.07813e-08 4.07813e-08 515.8504459 4.07813e-08 4.07813e-08 57354.38546 90460.37441 6902.978269 30161.72797 24932.85503 1899.971816 40411.43432 77954.83417 4801.747363 46337.34522 681.2744508 23398.95458 5252.533501 653.6524378 2330.46086 4.07813e-08 4.07813e-08 4.07813e-08 24350.52637 58886.00144 38954.24951 43533.82969 22862.69427 22429.37506 41657.0294 4.07813e-08 2698.155836 6-Paradol 8855.055291 5932.510927 5909.458768 4141.38758 6818.99294 8573.518284 6092.310758 7569.592941 8516.926307 123.5565779 86.30533337 188.6263093 124.0444314 4.07813e-08 4.07813e-08 314.5965531 4.07813e-08 1468.672017 17100.01049 14994.58059 11387.56129 8767.425414 16614.29452 15423.92436 10958.73756 12111.92663 14281.3112 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4666.15014 11982.53264 10276.00526 8956.932142 10183.59011 11491.98927 14208.37608 12788.17697 16907.1168 11933.26734 4683.100268 10904.38311 5466.942207 3116.50667 4.07813e-08 7216.397821 4.07813e-08 11901.40915 L-Gulonate 3010.468085 2947.020645 2997.273087 2969.340805 3388.222151 4289.812828 3905.28654 2891.129807 2916.157067 2348.939278 2269.62096 2437.722885 2214.016731 4397.561966 2877.444622 3216.052944 2148.28957 2283.395453 2039.617569 2200.063374 2532.391517 3103.139097 2778.499509 2195.212026 2576.832579 2832.211191 2454.84577 2344.14103 3101.509039 3530.302922 3987.399325 2999.929166 2673.7502 2040.464128 2346.220417 2569.280601 2729.979012 4027.318066 3247.085291 2773.639743 2879.536353 2620.94259 2404.309848 2850.318121 2318.454579 4654.469578 3659.790577 3067.361337 2994.569522 2373.462562 2087.639687 2717.126725 2835.128031 2971.100733 2-Oxoarginine 1825.994296 1562.964287 1189.797825 1933.782661 4.07813e-08 899.9076938 1506.546684 2738.375322 3852.847484 2122.621501 3863.486029 2166.320442 1480.869279 304.4494379 2866.705566 2268.668069 555.8285326 1208.906492 875.2360629 674.4889522 1349.024773 638.5650493 935.2564743 763.0531182 921.2293265 1504.544822 638.1684481 5278.582337 1903.569213 739.650404 1570.190358 997.5434768 1408.311579 3586.226827 2523.575254 1120.49378 1191.022907 941.343678 1029.417202 1295.466533 689.047649 493.9909621 897.4554321 1714.48235 1294.199127 529.4709248 1579.065613 501.9159195 1135.16325 2068.728756 1644.483715 674.8700285 1617.728014 4.07813e-08 8-Propyloxycaffeine 2432.817488 2994.6533 913.2568259 1634.908029 1697.44179 755.2561689 1939.585668 2955.063923 5443.620656 201.8505311 4.07813e-08 526.6202074 481.7632158 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1178.148429 1431.682486 1501.65261 1398.414509 1304.669676 1397.975763 1413.272178 1456.884199 2487.144178 714.0489336 376.1863738 4.07813e-08 270.1777954 266.9106018 4.07813e-08 366.9775575 260.6818383 4.07813e-08 702.1495529 1386.70624 1669.05165 1943.619334 1904.626893 1111.646589 1923.864872 1687.239238 1207.205815 538.722975 1456.12651 1334.757166 1393.218135 1490.596809 295.7240664 925.7777112 567.1284418 316.8189989 Poloxalene 4.07813e-08 901.5585719 4.07813e-08 4.07813e-08 524.5656293 333.0729928 4.07813e-08 987.0454593 888.353953 1313.940461 1682.47637 767.2827426 1577.339271 1170.35864 1954.634896 1583.400317 4.07813e-08 4.07813e-08 4773.075664 428.7402776 9201.448168 3038.615888 354.0467141 133.5643414 784.2414994 897.9656121 4.07813e-08 2837.222193 2731.425906 1863.151918 2140.81727 2991.190314 1553.607396 1090.033166 1239.048377 1543.89825 5069.472995 3640.112891 5979.438775 3210.572827 1295.997905 707.6054818 155.0885071 1470.831789 1728.977935 4.07813e-08 4.07813e-08 1357.333224 1872.428137 3163.121134 3455.764647 1659.150762 1992.490965 541.3118772 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin 4.07813e-08 4.07813e-08 4.07813e-08 741.5445734 4.07813e-08 1893.708881 694.5475343 4.07813e-08 4.07813e-08 5483.04814 4551.300329 2869.180998 4701.677466 982.5491115 11.50324107 3488.532397 686.8212534 1206.550814 3263.76707 2716.241179 2213.450391 2518.196317 2613.389033 3371.102097 3566.651585 4242.889659 2317.558789 2567.332994 4313.20042 5466.585553 4.07813e-08 5977.634737 4816.165931 3084.006588 4.07813e-08 3912.663391 1528.586829 1462.973653 551.6914315 2287.847597 3023.739172 1702.427685 4072.776111 2298.532811 8382.553702 766.5357064 726.093305 4.07813e-08 781.398461 4.07813e-08 3923.785901 560.2622889 2195.827887 4.07813e-08 Glutaminylalanine 15722.34348 28977.77362 10314.05901 21610.22175 13563.34222 9432.60083 14890.54515 26565.25727 35151.28683 2008.609662 4001.084134 3563.321817 3848.699993 2333.584167 2335.771523 1359.55204 4.07813e-08 4505.347743 4202.890499 4716.800011 7463.021689 4250.572825 3900.649997 4662.857901 4977.078687 4855.662911 7577.059456 5802.383636 663.3886247 2057.824951 1525.42093 1104.664919 2304.930496 1365.423943 2943.616347 1022.514478 7552.37208 4703.470018 7333.796433 8691.508508 3824.856635 4043.640182 5274.974895 4531.027619 3249.7285 5122.140186 8627.538848 6272.242278 10442.1313 21172.47382 1063.624674 8649.951761 2819.183059 6431.587495 Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide 82173.5964 213753.8214 100297.7244 85715.08121 90300.10704 46449.67123 268371.6233 143492.9753 141920.9629 43829.93309 28559.8605 27202.55603 28407.75566 29483.04644 27007.01205 16973.64054 3212.512577 16372.8139 11160.49824 1829.977952 15472.81027 16332.75315 8776.033169 2597.736235 13484.28477 29855.8937 21940.5438 4938.160188 18679.03121 34618.13224 13078.88732 22692.73519 25768.71129 32310.56928 5501.614287 17678.78792 64751.90066 27410.22987 45582.0152 9222.961939 18239.31548 18778.88391 2360.612575 31107.2551 15914.33692 15318.5928 21451.25395 47578.24817 93968.8662 120728.7897 11882.07433 60171.54116 33336.2408 31507.66755 Cyclic dAMP 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 281.6258223 19071.73452 11730.96493 16721.43635 25464.53156 22551.99102 18746.50174 17204.78645 33483.86657 11210.07336 4.07813e-08 4.07813e-08 4.07813e-08 19.75125932 4.07813e-08 22.03901068 4.07813e-08 4.07813e-08 4.07813e-08 19294.47947 26527.26476 9598.447716 17665.73176 10835.91902 22461.04829 22324.54098 20639.12004 15916.20761 524.933127 353.6302049 4.07813e-08 96.28240629 4.07813e-08 54.35367553 4.07813e-08 4.07813e-08 381.095975 595.2374103 622.2723491 4.07813e-08 4.07813e-08 249.0135653 12816.57051 36.99862288 8850.502075 4.07813e-08 Aspartyl-Histidine 2271.420118 2716.199597 1674.628093 1243.519008 1368.595264 2569.24552 2973.320981 3414.686868 4305.608925 8341.844603 6400.200652 4662.666103 7675.313499 6574.358388 5270.400963 3349.07693 4185.934664 8684.153438 4083.664407 3330.233183 2676.874122 2618.128367 7622.843937 6244.974498 4942.182299 2108.621057 3378.642024 6206.690709 8258.073816 7284.759645 8709.547155 10570.32106 5423.015792 7071.87522 2428.311651 6539.059082 3185.084908 2184.934866 2641.55466 3388.151234 3418.573657 6297.358091 3463.073525 2125.878063 4858.376861 3601.696484 5051.979826 2897.980701 5510.316896 5071.827148 8506.294094 7273.579437 10657.8736 5103.824599 cis-2-Methylaconitate 1521.288963 823.4625766 2028.800225 2254.801876 1997.501242 1683.391458 1351.112588 1443.873751 1119.320856 324.2844619 95.91224726 41.3719758 254.7671351 112.4264314 4.07813e-08 133.4686575 82.67203246 4.07813e-08 1524.375972 1446.012024 1564.952637 1551.001332 3068.06949 2051.966086 1722.82246 1450.126122 2530.163127 75.78773035 274.973445 222.8136978 4.07813e-08 102.9578959 217.7018335 121.6347568 4.07813e-08 226.9139454 1762.397168 1087.63583 1686.808367 1909.326453 1622.438688 2225.973172 1933.778907 1489.557494 1534.89328 1796.716707 1100.249035 1693.946917 1872.151577 1059.789582 246.2278574 1482.248886 397.8167927 1412.271838 4-(2-Benzofuranyl)pyridine 200.4151117 6026.920218 2448.433474 4643.773301 1911.37695 1790.848769 1273.988326 1413.269458 2684.817677 82017.60256 92423.43747 57066.77067 90911.54117 51116.69861 54968.53472 46085.94944 29015.5848 77185.59647 3177.498145 4.07813e-08 9108.582088 2498.008143 8615.840469 8666.128603 2753.228274 11622.92785 3201.417738 77477.1259 78728.13629 72159.16558 53089.51468 72276.97901 59546.72943 61517.74643 24433.351 76944.34454 2477.497488 7132.699215 2388.481632 8424.224151 4348.017485 3285.852422 8919.952387 13283.90579 11492.1261 2026.722085 1184.412985 493.856184 2771.600841 8300.578279 69097.21698 891.703996 76454.75636 906.1102698 Asparaginyl-Cysteine 5060.900162 3559.284371 4792.503078 3703.026019 3666.980688 3698.998374 3935.508772 4563.568439 3965.80051 1953.99388 1458.364931 882.5552338 1591.039834 1538.315695 1751.240619 632.0444929 1165.015876 1724.051222 10845.9944 9480.164075 8471.370456 7458.468538 8142.903696 7097.439181 7989.390299 7516.592371 9901.854864 2773.996654 2657.233981 1844.004594 2564.113339 2993.751186 1775.993575 2717.787051 1057.345692 816.6041091 5704.674735 7371.258817 7114.638785 8071.746984 8656.295136 7360.843068 5988.430453 7722.879102 11532.97259 7029.437598 5374.94401 6458.981841 5459.258775 5011.079049 3572.390761 6561.27016 2043.27215 6058.36378 Ethosuximide M3 glucuronide 4.07813e-08 19223.90836 4.07813e-08 4.07813e-08 4.07813e-08 668.549959 1606.169462 4.07813e-08 667.9228111 4845.118168 3461.062336 2632.395751 5838.269221 1370.265153 2834.229681 1288.518996 891.0031041 2808.973204 4.07813e-08 4.07813e-08 649.0719477 4.07813e-08 312.3803379 4.07813e-08 4.07813e-08 4.07813e-08 342.874157 3669.969085 4241.018251 2454.743392 3058.847203 6644.336203 3996.279253 3613.325551 1923.967768 2019.697284 2546.760447 157.4514281 461.8522351 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 743.3970242 600.3081292 918.8434655 1002.585165 2646.8695 4216.89965 627.59075 2864.214649 3759.502305 AM1235 2351.908641 6443.520239 1331.730387 2182.568844 5273.726416 1569.679159 3518.75875 2625.350761 895.165214 21471.10485 17825.40945 14223.09583 23659.63654 11165.51998 16229.32201 11315.96765 9572.819625 11924.69292 1717.946112 1567.274076 2194.714864 2144.28591 3039.19181 750.4846362 873.0481622 3475.943479 1622.740115 17688.88337 17426.7452 8774.180357 12859.85277 9535.90187 14536.71241 18545.27513 10329.99706 11013.96353 2330.802028 1758.452901 815.5154893 2351.98303 1071.873671 3566.282255 1801.808809 3848.873771 2213.718102 1484.483097 1341.879197 785.8923981 3177.455212 6475.378124 15532.45131 1945.21051 18254.21074 3304.088727 beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose 13098.48814 17846.83751 12225.02034 23321.44738 16025.6188 11796.20886 16434.49186 14735.99533 12430.59111 32678.60099 23338.23947 31485.43622 38788.22239 28730.15503 21995.90829 16292.96888 17025.05727 20611.70711 10271.31737 10332.36667 10122.37543 10897.79444 14663.65497 10215.39033 11556.97632 16229.03889 9445.697535 33629.0868 32160.63919 30256.84185 24573.97265 24957.44467 32634.86926 25192.30753 29310.5313 33177.96489 14607.65951 15986.23059 10791.4256 14802.47033 10564.00427 12635.20347 8388.709163 17301.25173 16776.48457 9453.883198 7408.556777 9259.142272 12670.9574 15467.18121 26499.89249 5869.25214 36655.27019 10270.67859 Glutathione 2665.356383 2109.960138 2648.885447 1270.465601 1547.507946 2000.931761 1969.742792 3271.501075 3500.106605 1347.315107 831.3061732 649.190564 1701.820814 581.0872987 908.0739385 146.2587128 1979.273987 2837.978433 3971.417312 6158.54946 2885.662081 4193.674455 5484.882276 4114.129681 3891.810115 3671.721652 3962.320694 923.7742319 990.7840899 1051.513407 695.0042903 2008.630692 698.6479127 1094.381209 551.8845847 1004.858867 2962.19257 3255.74459 2903.374817 3746.949033 4025.11032 4611.207352 2247.91709 3012.837312 4918.807976 3677.92479 3127.219232 3036.664342 2637.164638 3602.985999 1566.006466 2952.391146 824.9576612 3627.975549 (S)-malyl N-acetyl-alpha-D-glucosaminide 2450.874977 1213.008444 2877.617183 1952.87357 5179.509995 1223.446133 902.1260021 2586.318202 4150.916526 4.07813e-08 249.7984959 283.4372309 4.07813e-08 4.07813e-08 4.07813e-08 41.87546994 0.47132793 119.1280938 1944.891913 3081.279897 1465.909607 555.0921666 1357.480237 1758.126864 1023.006298 1175.350636 2007.592981 4.07813e-08 4.07813e-08 4.07813e-08 5.25383403 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 307.0747435 1624.262802 1038.835626 1652.559278 2395.398542 1543.030988 3218.312865 2062.48167 576.2846334 3813.916919 961.7545813 2245.962183 1723.205017 1812.877498 340.2826645 2138.448153 4.07813e-08 2123.870727 S-(Hydroxymethyl)glutathione 623.9339129 732.0645461 511.8756216 396.8925409 103.3159108 293.2913907 180.9004684 561.5159995 713.2405666 1133.938734 806.5139507 923.8219977 999.6070604 252.6407198 632.1900253 394.26679 708.4242101 1559.2591 1651.009403 1886.668497 1105.112253 1393.381913 2058.083905 1067.77332 1306.664174 1371.632525 1420.213746 932.5426348 762.4639815 549.4446947 178.7073306 404.2721946 241.6269402 970.8281534 116.0958161 4.07813e-08 1435.212397 1852.874488 979.5371337 1452.139113 1430.01368 1530.933281 972.416956 1141.275129 1918.907256 695.5942912 627.8476857 1142.792367 1061.404476 1247.571923 787.8399043 1517.441533 573.7712774 1039.629381 Valyl-Serine 559.5756114 309.9143135 292.4919823 400.8914429 173.1319614 399.3075348 520.5929374 1408.015573 683.9753256 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31.62701505 4.07813e-08 450.6985517 234.7460888 524.6057032 290.7484978 1178.290846 168.6365299 386.2604189 303.8081263 528.0212613 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 529.1992914 141.694194 659.7451605 635.5800425 503.647857 579.6479592 277.7834611 354.6591748 4.07813e-08 56.22893495 82.25367839 317.9495619 427.0604725 378.458756 4.07813e-08 556.5103855 4.07813e-08 46.69924319 2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115933.2602 102166.2951 159.5770077 107065.7617 316.3141566 14.27278996 14174.708 4.07813e-08 14.36355297 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16.57627767 61.14786566 37320.46273 4.07813e-08 39.81483123 4.07813e-08 61318.27511 11.46427695 17.82957945 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 48.47053795 4.07813e-08 59.97849292 4.07813e-08 2-Ethyl-3,(5 or 6)-dimethylpyrazine 3687.587659 2278.28118 1413.370786 889.8129542 2304.629296 2380.943248 3028.683962 2236.158159 2050.872551 1402.25596 524.9111218 743.5069887 1627.839128 1428.907116 744.128374 314.2086568 394.2269065 727.713758 2095.534959 2933.929415 2134.799531 2120.245393 2070.89562 2503.767048 1813.67509 1789.396699 1307.633814 193.1353275 1403.40977 245.4838652 1313.997749 229.1174088 158.2262248 215.8548221 144.1468319 995.6856152 2044.828903 3549.188786 2194.255991 1796.803458 2439.524029 1623.363971 2587.292311 1258.664122 619.2146019 1790.93169 2615.926765 1642.772156 1258.766752 1366.563247 813.3983173 1926.980917 1181.880398 2300.383256 (1(10)E,4E,6a,9b)-9-(2-Methylbutanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide 4.07813e-08 2675.840507 4.07813e-08 2248.166626 4.07813e-08 553.2651178 986.3463823 4.07813e-08 353.8742706 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1678.699624 15707.88417 1681.15179 10180.44608 10378.00851 5577.641984 807.636797 4.07813e-08 4.07813e-08 4.07813e-08 0.721161015 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1988.66831 21970.17234 990.5195118 3373.523194 13913.11977 7314.174192 2787.975913 4.07813e-08 4.07813e-08 8586.800492 6609.791715 9833.41062 855.3981892 544.0067516 4.07813e-08 3072.940486 4.07813e-08 4.07813e-08 3a,7a-Dihydroxy-5b-cholestanate 30270.60833 17574.94939 20831.08374 18223.68229 14167.53808 32389.48767 35805.3538 19016.25458 19800.05893 10906.67288 7336.322844 3523.217378 10082.27045 4436.049214 2935.148426 4.07813e-08 3520.448167 2804.479772 45891.53035 50289.51511 32153.35602 35985.01007 44766.42784 52806.04238 34008.94427 34761.09503 31338.08918 2383.44572 8592.340055 1676.705827 5578.266744 5978.779996 2844.99042 3807.018752 1605.053986 4.07813e-08 21266.57443 41809.7864 26376.20683 38714.40669 49728.94579 35753.83029 58769.58517 29650.90858 51331.69217 34175.9633 31142.70157 30031.94352 20824.94791 16919.47377 5268.132763 29871.79364 6683.28699 31495.87225 Diethylthiophosphate 6942.97222 6176.762054 6701.224339 7336.538421 6257.486002 8160.730254 6287.163089 7421.542998 6909.196156 7021.636447 5410.393531 5168.48233 5944.371965 6532.756441 6264.612939 6028.02191 6152.077719 6580.086747 6300.68935 4718.07843 4659.47538 6122.534728 5335.0928 5532.723377 5330.509212 7315.203712 5344.932158 4931.634 6630.839714 6417.558941 5939.099753 5737.083678 4473.179292 6078.07465 7242.267341 6520.460252 5581.74412 5880.105939 5718.237383 4525.351954 5092.053845 5045.597527 6637.355025 6476.50072 6991.600517 6270.302558 6018.111897 6946.046619 5950.371092 5865.759077 5319.159226 4739.206294 6142.759206 6992.455182 Homodeoxycholic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.343820808 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 745.0446063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10767.55191 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 403.2656641 4.07813e-08 7614.586116 5714.805828 13245.17832 2323.765325 4.07813e-08 11813.39226 4.07813e-08 4.07813e-08 4.07813e-08 97.94437563 4.07813e-08 13.38909376 4.07813e-08 4.07813e-08 4.07813e-08 12.95175196 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4537.970956 4.07813e-08 Homovanillic acid sulfate 20281.54456 18459.27258 22152.8996 20315.30564 18885.33656 16266.40864 16545.74148 17872.97721 18608.13067 12608.26892 14315.9898 12019.2745 17063.61416 20056.39057 11499.39167 18837.20505 15767.19064 16499.15973 13125.48718 15673.29653 10276.40295 13555.84833 16901.49515 12452.25916 17019.55842 16696.74955 15041.86894 14152.08216 16372.33335 15016.18047 12979.56257 11924.47952 13146.12981 11483.89355 18179.5897 16904.02984 11462.66095 14796.81963 13010.68116 14230.27922 12530.12712 13631.58265 16404.90303 15500.68995 15046.48949 15919.34786 14965.1643 15275.25627 11402.59684 15432.3633 10903.131 14730.8154 15053.75889 16363.56715 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium 121738.0126 86126.38572 84192.73189 78623.74156 94296.08755 98147.62899 88288.08758 97707.23009 91493.98115 79270.51652 73927.72964 64607.92002 66937.43293 90130.40751 59729.31038 86661.08981 67148.20656 79236.84899 65274.90343 57637.16508 69022.26938 110392.5816 64392.27301 65186.15694 62638.16694 76446.39468 79446.3666 70477.02599 70318.64197 80658.96041 113712.6966 76887.1659 60257.60867 65205.72637 261871.0997 79683.52147 73315.89652 79625.23294 72938.7722 60269.88677 75218.37886 72368.7272 66038.44656 73607.2664 65821.03665 96471.50598 79439.45223 71150.62537 69182.75469 63660.5557 53375.8346 61451.51496 79835.76135 76902.13666 Isoeugenol acetate 31344.12335 32314.962 30977.18455 27161.25633 25251.68528 26268.26415 26500.5202 29166.57763 30966.26202 24278.02945 23441.41518 20485.43269 22592.43739 23981.91293 21199.19747 31043.70747 21214.14793 27969.15423 22350.95147 22983.28115 18988.67354 20058.25833 18577.47723 18925.66314 22372.94382 23125.16318 25399.69542 22599.49073 23096.08835 21101.84402 24692.78388 22559.78869 22704.55104 21658.06221 24554.11121 31063.39437 25001.93613 17981.86113 21608.48487 19953.7011 20390.35555 22185.16868 24413.2769 26236.45477 29731.57068 18967.46107 22838.15578 20812.90009 24597.93264 23491.70999 20779.38701 21919.92499 29921.10313 31409.75118 Ethyl 3-oxohexanoate 677.8241058 1082.686556 882.279867 654.9378366 1327.773023 1003.101242 801.3931591 1445.885367 1031.269467 469.8399131 433.9621489 301.5865958 602.3921537 118.9043497 395.1774032 173.7789212 66.01053931 334.9559492 1953.724507 2374.603027 1969.63996 1715.311292 2508.805457 1958.153385 1789.730921 2616.969541 2757.666887 289.583796 474.5915184 278.8705526 449.3526951 548.004968 285.8978492 798.3132947 36.19124276 211.9333593 1342.507517 1908.910575 1611.804841 1881.066371 1745.585863 2172.85872 2100.905601 2710.316795 2840.752428 1980.830196 1533.022769 1503.408325 1727.007411 1859.498424 701.0631312 1552.968312 426.5570825 1693.485313 6-(Ethylthio)purine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4982.232632 4.07813e-08 143.6499003 281.4503467 1157.084268 11815.32675 13716.84873 4.07813e-08 4.07813e-08 10.39003661 68.0678441 4.07813e-08 4.058702731 4.07813e-08 4.07813e-08 4.07813e-08 76.92123168 7561.999193 4.07813e-08 18272.16979 4.07813e-08 11204.9428 5976.658179 4.07813e-08 9549.830308 8494.181395 4.07813e-08 4.07813e-08 4.07813e-08 10.30854121 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1616.073232 4.07813e-08 3132.748633 4.07813e-08 Propylthiouracil 16226.61954 13355.24242 9671.936707 5883.858493 5832.859199 10694.99096 7856.948274 20088.41346 17631.14964 9072.442312 6854.593037 3256.621472 9273.260788 2317.752368 3026.848199 1273.482738 3646.835499 9199.161964 8652.123693 9431.76569 7709.824867 6563.613635 9323.950932 8734.737705 7300.056745 9734.145156 9556.849229 2248.606145 2367.746088 1900.843784 1758.202018 2376.996852 2685.377496 3228.201927 1149.44766 2492.42425 5932.451794 7086.940279 6263.936349 7491.434584 7281.520046 9005.164509 8297.640634 9197.171564 13655.748 5982.079513 4694.777502 5302.915315 5368.494693 5698.79444 3164.781692 5492.535307 2134.752023 6041.516199 2-hydroxyhexanoylglycine 114.919697 850.1237532 168.7785363 167.303872 72.65028509 4.07813e-08 312.5132708 193.0779689 106.8013963 2620.999106 3585.508704 4500.404468 2872.940411 4070.835241 2328.870654 3242.765897 2511.050608 2229.689784 4.07813e-08 28.01949218 26.94318855 4.07813e-08 4.07813e-08 4.07813e-08 28.52796058 1724.975967 4.07813e-08 2815.608829 3614.676938 4736.80379 2843.521072 4130.49797 3891.987923 3855.112429 2699.599694 3827.175368 1976.047865 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 143.9719875 4.07813e-08 1490.871484 69.69466474 4.07813e-08 4.07813e-08 4.07813e-08 386.2550956 983.5983018 4046.741426 108.3901761 3413.389732 198.7078242 PC(O-4:0/2:0)[U] 3225.199578 5523.804281 2319.468873 3302.45031 2743.162065 2626.55287 4631.156437 6637.421782 8948.896133 28.03223642 26.74587433 131.5730668 203.9072413 150.3746809 9.937722554 1.420607103 5.115672298 4.07813e-08 729.0705596 985.0972922 2072.008867 696.641454 1402.39548 935.4262582 920.9193626 688.4826238 1055.805631 37.24141235 54.27591988 19.54862113 1.655135139 28.71029108 78.19096741 104.4582721 63.95329575 7.873549161 985.9098187 1444.110923 2603.434003 1911.665499 1106.111547 1129.272851 643.1060841 509.6944189 1207.371144 196.2094202 2603.124502 1530.749897 3448.55765 4829.651398 126.2604743 1565.926872 154.9111961 812.6655314 Propafenone glucuronide 4.07813e-08 376.68533 179.5364349 182.4438485 1208.894794 4.07813e-08 188.313252 116.3214812 267.7607695 10265.47084 14272.99847 23572.2855 10357.28694 17567.60017 10968.05397 14485.152 3288.102702 17815.4826 91.44169504 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5061.908277 9546.647757 22826.1233 6433.422875 7257.009342 19136.22459 13388.2736 4131.20404 17695.26216 4.07813e-08 280.8999376 4.07813e-08 4.07813e-08 4.07813e-08 88.79721873 4.07813e-08 4.07813e-08 4.07813e-08 144.3437507 160.2037712 4.07813e-08 4.07813e-08 351.1842014 16579.8382 124.1144023 5960.982419 4.07813e-08 [2-hydroxy-6-methoxy-4-(prop-2-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 4.07813e-08 2342.396923 701.7753175 1836.358193 3207.465046 2706.097674 1068.538097 1223.393053 673.8460301 1105.133581 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 878.4907845 2607.176022 1534.281449 437.9050596 1166.092182 790.5682001 2271.547836 981.491447 2264.649014 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3091.530574 4.07813e-08 1013.125416 4.07813e-08 S-Succinylglutathione 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78.15825605 58.91132282 750.0894452 4.07813e-08 1060.275449 1613.157033 4.07813e-08 853.3916279 0.085737043 58.55694189 4.07813e-08 45.76003866 73.48218335 60.79473427 21.13629479 29.14279294 4.07813e-08 96.26995256 4076.401544 1107.611982 1330.60538 823.3737451 2702.986249 1471.203666 915.2851204 1454.387014 195.2943189 215.6338342 26.60261067 47.97391618 34.46687058 21.59431401 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 342.0981391 3565.169326 4.07813e-08 4.07813e-08 168.3874986 PC(O-6:0/0:0)[U] 18.26057485 72.29894273 8.992274719 10.82805135 4.07813e-08 4.07813e-08 54.6162349 63.28240637 362.3754659 1368.864822 525.1787189 1617.280798 1448.208978 349.3252024 975.4899887 665.9426644 190.9399418 3715.710979 4.07813e-08 4.07813e-08 10.40211056 4.07813e-08 4.07813e-08 50.77321215 4.07813e-08 15.0535125 5.422372915 3060.376963 1682.677492 724.7395888 7278.06232 532.5185486 1271.989446 3059.519845 753.5765113 796.5895661 21.15664884 4.07813e-08 18.01681546 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.861440378 4.07813e-08 50.84794939 63.71899951 1106.735188 17.07037655 5599.349191 4.07813e-08 Oxo-Ergotamine 3159.502661 7930.782495 505.8791553 197.5017982 4.07813e-08 4.07813e-08 2876.957209 4192.015039 6576.387367 27058.00659 35195.07772 25716.19915 25950.57992 10753.35792 54782.85487 45311.67487 17306.36593 19652.95666 4.07813e-08 109.7370037 102.4051351 4.07813e-08 116.2663827 4.07813e-08 124.8797438 114.284374 835.5156587 19100.942 49191.18354 15932.14066 38033.91335 22105.93999 33194.59051 54811.00817 23743.6375 33096.74271 2564.343792 296.2127581 423.768287 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 402.3033903 4.07813e-08 240.5783553 4.07813e-08 4.07813e-08 1026.81575 5574.006639 19739.72339 602.7922647 6902.987858 162.2305908 (2-benzyl-3-oxopropoxy)sulfonic acid 269.4044281 607.6197318 64.41607804 773.0961826 4.07813e-08 224.4776414 242.1719561 1085.564273 398.7498322 1929.062797 4276.057452 3070.051043 1701.603009 7624.931104 701.8061719 3026.516556 2732.651492 3962.083165 42.92192848 36.38227753 117.9788703 43.1712834 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 302.8098582 1684.789903 2866.277902 440.1621975 1594.658611 1245.460935 861.8141175 2351.720217 2091.037181 125.12044 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38.17153886 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 94.36348323 287.7754075 238.3646078 842.5162809 40.04854839 1170.632349 283.8815061 4-(Trimethylammonio)but-2-enoate 33.36003488 4.07813e-08 39.37341347 35.6846057 68.42725202 4.07813e-08 34.97000947 178.4957127 120.8630514 900.5829432 762.5265781 947.0750884 782.8149005 660.0023407 887.2277341 479.7418103 1045.247909 1268.077304 369.3798084 124.057158 266.2472151 72.42733223 141.3149062 80.89166386 226.1934968 520.9736524 345.9072951 1026.929675 873.2841948 854.4753515 777.2048834 1183.385373 748.4702598 1013.781778 683.1741965 729.5971463 151.194605 31.56107088 190.0254949 127.6670491 121.6893258 122.9664534 76.62874312 495.4687879 152.7194386 4.07813e-08 82.28010982 78.40875054 115.9945659 220.7514659 1040.500086 181.2862209 820.7954581 95.17965511 1-hydroxyoct-6-enoylglycine 186.3150252 155.3408567 4.07813e-08 216.2685017 678.8372814 54.10697512 291.0404295 238.9586221 259.8650563 533.4127909 1103.303903 904.4716664 487.5899981 229.9389157 58.4208961 1126.851771 4.07813e-08 477.3023171 933.567699 1630.126359 596.5800395 323.3156654 1586.716403 2009.797266 1125.775259 1100.68594 1935.495109 78.06359851 300.4606503 567.3340249 177.0009731 272.3898694 122.8710765 41.59341082 209.5011701 340.9672082 551.3699096 741.7003596 335.0691688 812.411046 521.1828452 1418.034634 1777.071028 646.5911434 1879.390916 2217.315397 1906.517647 509.1574603 418.1523891 1606.791632 288.9321263 520.9152431 583.4107753 1282.36339 Corynoline 9361.993323 7168.714367 5718.846354 3989.343577 3289.935419 6964.542399 6323.407259 5572.384596 5469.909747 6756.956975 4173.816814 2666.566661 6566.713285 1825.237849 4745.185052 1143.143074 2889.190796 4260.24441 12267.43714 14401.67668 9395.758741 11009.23618 11262.93653 11534.06301 11868.02237 7291.759605 8674.019759 6609.415881 5930.687339 3065.436781 4448.889245 5748.152534 4434.849648 8290.429251 1952.095595 2592.064544 9040.166 12617.96654 8762.861598 10520.67554 11074.93344 11277.93407 10571.75806 7184.582577 19999.62328 9315.522703 9964.160046 9414.31093 8424.886044 6821.546776 7340.909247 8179.918194 4613.977945 9318.990617 (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] 2255.955119 4944.164564 1602.165847 2331.525125 1395.546581 2378.567596 2745.030951 2960.304461 4964.347571 3009.046381 3604.838838 1694.185259 3103.688295 2545.129013 2281.406321 1231.487253 2220.224316 1423.780973 1412.383382 1244.880006 2822.217362 2018.250791 1034.811375 897.9154981 1570.620199 3873.271365 2208.830484 2458.441087 2586.147356 1877.307839 2350.972046 2985.879537 3297.227726 3811.794681 1764.522576 1731.03364 1883.619666 1058.99162 2027.950885 1760.715108 1070.445821 993.8518419 363.3739049 2597.062128 3858.647412 771.1259089 4573.957577 1651.762122 3453.22652 11188.45659 1931.709438 1758.604428 4918.709474 1941.830127 2-{[hydroxy(2,3,4-trihydroxyphenyl)methylidene]amino}acetic acid 554.3589569 511.0435186 480.8005321 442.2633397 491.9561699 282.3630531 512.1949709 432.8198653 367.3564586 259.0873387 272.9393575 314.7759775 275.3738447 174.1053047 379.8308584 248.4125875 121.6569163 249.1463076 423.5991418 378.8275245 441.9766258 343.5373849 412.6502544 445.8320154 325.849686 607.2768498 583.860239 364.7366901 309.8663058 251.2731677 179.5928482 352.6533319 262.6517348 422.6438656 172.7664077 336.8852074 636.2871995 435.8615666 383.5552677 288.5441071 403.5825802 379.8490039 321.877124 609.9355404 418.8104717 619.0092569 277.6747296 516.5224104 622.1271939 693.8692151 312.2986042 439.6110565 207.1977333 602.2398894 N-(2-Phenylethyl)-acetamide 472.2799565 528.9587808 949.9931666 891.8639843 1114.419413 833.8946273 437.2805954 417.1006485 426.1271664 176.6777126 245.9421209 854.2449266 221.5570007 431.0764856 180.0650045 623.6794011 97.73895584 169.9277088 702.3473419 472.3271595 743.6100819 659.6771759 915.2983365 821.7541373 588.1209763 1270.183358 1206.442046 319.5044053 258.7100794 572.1593572 239.0678553 321.9240461 687.5468425 267.8680629 560.0796129 408.9329905 628.7941448 473.4996519 638.8360281 570.6501186 750.4613298 685.069444 899.4588108 1392.121364 802.6846506 799.15408 465.6045423 701.2179697 708.8336185 580.5486175 211.839146 557.8079906 151.7255156 652.4578798 Alanyl-Glutamic acid 291.903092 240.3185297 260.8714314 131.9317667 528.0708765 269.654299 90.75908417 148.5822152 67.70536532 4.07813e-08 21.17306537 38.33908805 32.2597866 4.07813e-08 28.12522721 20.68992535 4.07813e-08 4.07813e-08 742.7494909 528.0955327 400.7977691 557.9051964 371.6159543 474.903479 227.0020768 189.4926281 36.66455288 4.07813e-08 49.11764673 43.68350534 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 52.63182816 4.07813e-08 363.3467034 534.6235186 274.3196779 247.3229794 654.0799461 544.0632021 311.1255557 220.2437994 34.31394516 177.672181 170.8531809 232.1323698 78.66537178 81.29494371 4.07813e-08 513.3293449 4.07813e-08 280.1434468 LY255283 1098.712737 4737.341417 1232.042866 2680.219572 1271.500623 1136.046089 2194.237115 3757.841181 3353.217231 4849.959538 8432.401068 5135.666091 5402.415738 3132.569109 8220.063594 7400.688525 2213.109047 5495.518502 4.07813e-08 4.07813e-08 586.6070693 101.6090703 761.4628235 542.3849945 536.4175686 4.07813e-08 573.5834997 2220.910189 6724.950451 4036.650199 5055.10665 4668.993982 8922.104648 9559.084764 915.2421043 4793.365142 198.4960456 509.0050588 1172.24476 613.2700736 467.7270754 227.6980564 474.2452243 77.88467268 4.07813e-08 4.07813e-08 237.4354204 736.0239464 1796.465595 6056.918375 4930.043509 441.003234 10516.78751 105.7465748 3-(4-Hydroxyphenyl)-1-propanol 927.0223157 980.5923628 1460.049341 1545.157418 1559.856719 1358.887229 1171.821367 1270.006478 1202.929832 256.2951396 387.4022443 615.911096 418.2042537 698.0408537 289.277721 383.4925332 92.11254876 372.348027 1869.419305 2660.259935 1759.163061 932.176898 3066.311915 2561.387469 1449.903746 2178.683604 2795.823316 241.2682715 626.965554 348.2646348 561.2009773 417.3224404 381.8511928 632.5209916 322.880813 627.6422547 903.6818769 2721.582895 1319.438122 2442.430865 1267.267536 1308.599845 2554.815556 2411.54495 2488.07614 2708.350887 1950.480496 1804.469624 1205.392429 1703.681611 421.6971186 1839.116967 538.5727094 1956.339078 6-[(2-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 4.07813e-08 2448.966602 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1021.917999 4.07813e-08 4.07813e-08 20895.83288 18386.15239 19464.09955 18394.41808 19756.63063 12225.0266 10135.34086 9588.555358 22611.67518 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13022.40941 13128.40057 15779.47867 10307.99163 13942.63872 15863.7078 16820.56403 11782.70739 14444.27793 853.5612991 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 619.6430291 13589.60503 4.07813e-08 9094.590165 4.07813e-08 (8-{2-[(3-methylbut-2-enoyl)oxy]propan-2-yl}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl)oxidanesulfonic acid 2746.585699 6886.363668 6335.798819 6740.270715 9706.865433 2660.431331 4023.263728 5729.00574 5539.320411 4.07813e-08 4.07813e-08 4.07813e-08 14.13757803 4.07813e-08 4.07813e-08 3.935264555 99.32022723 4.07813e-08 6511.78318 16599.38049 2977.489355 6127.562916 6487.268771 203.9108505 6182.608123 5961.039555 6129.146051 55.16541798 4.07813e-08 137.2546265 4.07813e-08 15.42656423 42.44345551 4.07813e-08 95.76197068 344.4777983 9501.275563 8873.419926 3647.884593 134.6022493 3988.762449 13100.44629 108.5549577 5433.433767 18786.24538 4435.872046 12195.92141 8637.203308 4280.686193 4217.095224 4.07813e-08 13033.77431 4.07813e-08 6179.996661 Neryl rhamnosyl-glucoside 4850.839171 6840.087976 3698.687326 4414.753273 4913.131698 5049.637802 4626.966694 8258.078452 13562.4958 3169.483758 2530.477722 2263.505639 4094.163 1711.488047 2162.38387 2056.381236 3090.185985 2445.828713 8038.576511 10609.90532 7752.442309 11189.29679 13349.26398 8053.356041 6757.197495 8082.358684 7831.022825 3433.156369 2627.217345 2471.142434 2483.193502 2732.048272 1905.772874 2130.675268 2216.854493 2824.39455 4029.242464 7090.039883 6158.361961 8900.908895 11746.38331 12311.24164 7361.398804 6935.025102 10282.76161 7786.840606 10198.48338 8192.551431 5701.178235 7749.568176 2682.984631 5818.50428 2487.646888 5591.908472 Histidinyl-Glutamine 138.2667613 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 306.8710546 9261.860556 5946.336875 4788.005633 8771.282766 5304.643258 5942.710848 2454.176891 1588.65481 2871.376954 4.07813e-08 4.07813e-08 2.331475135 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3852.132924 3271.149417 3585.742421 2761.712433 4930.422167 5637.136911 3519.818848 2810.750853 3778.574379 4.07813e-08 4.07813e-08 150.0850157 4.07813e-08 4.07813e-08 5.433960903 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 220.8930301 148.3834938 4.07813e-08 277.4398286 4838.318059 4.07813e-08 3168.756062 4.07813e-08 Dolichyl diphosphate 2090.055343 3236.224953 2529.79439 4088.448015 4812.739761 2276.9604 3196.06255 1350.545338 1247.125505 2582.730085 1213.903868 1111.321306 2340.961792 720.7461689 1618.486344 371.9523386 431.208951 1604.179383 2987.364013 5537.429778 4326.808076 2960.054027 5108.621426 3041.260478 3961.355925 2048.079328 3158.41924 292.2926838 669.3160432 524.5653601 503.7175387 652.0454949 907.2951004 787.0071545 285.0472611 887.7805774 2136.513575 2719.444993 2885.536282 2928.92231 3000.147361 6404.234229 2209.884652 2564.409083 4117.849173 2655.144159 3183.411341 2173.819788 3442.546415 3700.954011 1060.57039 3792.974829 238.8218483 3535.066521 PC(9:0/0:0)[U] 2038.389157 3186.750301 1482.931716 3774.066988 1762.717675 1514.329272 3278.321318 3718.247651 3439.193355 96.59900832 4.07813e-08 79.31199922 4.07813e-08 4.07813e-08 4.07813e-08 134.5723749 4.07813e-08 127.8478687 579.2370386 4.07813e-08 977.909538 183.509206 566.4958195 654.4834056 660.3330765 202.2544899 759.1937663 150.199691 4.07813e-08 4.07813e-08 164.8325913 4.07813e-08 83.07034505 305.9626549 151.85885 147.8843573 429.8638279 738.2361405 1085.476504 1148.904255 470.7641996 716.4423674 258.8778475 368.8449617 234.3565364 4.07813e-08 932.1024301 784.8966406 1760.761806 3480.030212 4.07813e-08 1077.035452 107.4007622 341.1814581 Benzidine 1001.922727 892.2293384 1154.303298 1115.315161 1190.577939 1068.11485 840.8922689 1038.175261 1071.89756 292.1116562 202.2205915 349.4815962 241.5418732 222.3863175 209.5849215 164.0664789 215.3058005 283.7376477 1869.883268 1445.557785 1277.012783 1382.374562 1840.521237 2059.183516 1434.13815 1907.935101 1498.927895 109.1857341 147.704008 214.0492707 266.5764538 268.5010434 293.4038924 374.7762009 189.2663424 271.5942741 1025.813383 1230.719955 1032.815634 1396.598782 1506.373604 1909.049075 1669.436596 1707.334414 2992.97606 762.1544378 782.9291534 1058.301342 1192.845927 870.4629895 338.7034385 778.7583567 95.70392353 1553.979381 2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one 429.5970662 169.7602501 449.6507486 203.1843264 383.7659847 165.9779672 353.4936058 299.0450587 258.924133 133.7054435 293.447382 205.9254547 340.7760774 66.56884852 158.7420882 4.07813e-08 4.07813e-08 199.9714392 1274.496619 1033.298473 1284.905009 1277.623902 1404.403483 1374.633621 833.1074863 1053.281161 1143.319747 332.6400419 283.6482836 54.61537449 104.0521323 295.3473212 169.9454474 340.6077414 94.55053874 38.32436869 1045.891078 971.6482868 768.907672 1048.447143 1953.429936 1572.047909 1218.729215 1083.73336 1639.020082 532.5980809 570.0636975 955.0219047 755.4206654 917.0360493 271.4965081 934.3768492 267.6896984 526.6149589 CPX 764.8845563 1618.849509 556.6464667 2282.440639 1684.082611 499.0339307 1147.072841 1385.44315 395.9977361 60.47841253 77.03326374 75.32972634 4.07813e-08 93.03536569 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1362.502307 1484.673607 2862.589413 3418.006098 4082.404742 813.4529644 1368.708186 1987.033027 1095.91579 58.95724507 57.73581447 4.07813e-08 4.07813e-08 227.0546989 66.73145951 279.9086024 4.07813e-08 4.07813e-08 1744.203384 1620.402529 2164.964144 1729.450876 3574.911776 4784.594597 550.4451892 1808.651677 2804.407881 675.1294966 439.6653309 1044.023806 1858.495681 1631.692641 4.07813e-08 958.4337963 4.07813e-08 643.773075 L-2-Amino-3-methylenehexanoic acid 4.07813e-08 76.93836188 4.07813e-08 38.7658766 4.07813e-08 41.53095137 112.8646052 71.13221457 42.5005948 614.8830094 653.2265366 626.9397771 725.9226633 457.3194045 657.7433917 641.7697585 438.4962673 455.7451804 37.41902044 99.70074036 111.0507069 4.07813e-08 108.1432733 53.05261679 91.00124351 184.0146273 147.0245699 830.4686357 733.1773422 434.2921698 755.2546566 769.8533101 795.8273319 925.8451648 554.3039016 788.760826 192.1261816 56.05027062 28.11880933 168.8428435 159.2893821 88.36466439 4.07813e-08 402.8008951 260.4510396 4.07813e-08 32.38248561 27.93256769 4.07813e-08 205.3857127 728.3599852 4.07813e-08 960.3824079 51.16664678 6-Hydroxynicotine (S) 331.2765238 4.07813e-08 202.6424342 308.6784662 291.8352044 271.1835186 394.5214756 223.5807556 135.1678063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34.73722746 4.07813e-08 4.07813e-08 477.0039412 926.9352174 172.4901675 471.4145638 1028.301422 1140.200235 662.2084991 540.6162772 812.9979534 4.07813e-08 4.07813e-08 40.41549165 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 437.2238223 829.4930796 280.9701964 591.4364886 817.5840203 908.4887518 960.3616576 556.2665952 898.9395399 1829.661995 1384.670918 649.2104582 619.3180553 273.6016195 4.07813e-08 573.641133 4.07813e-08 1064.807491 5-Acetyl-2,3-dihydro-1,4-thiazine 735.2894781 200.6240689 332.6048661 548.9204336 318.5145237 608.9265691 395.0944466 648.2074885 735.6799243 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 633.908687 623.954642 425.7717203 421.1832121 653.6093336 217.7936436 508.6689003 437.2304681 347.9886858 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 505.9448158 651.0875515 497.116162 879.7538211 563.7650191 989.9653842 129.2234506 280.3331107 895.3701666 4.07813e-08 335.9040398 421.1566879 421.8291437 579.6597025 4.07813e-08 536.5346123 4.07813e-08 223.8828186 Sulmazole 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41065.57249 39995.60731 34339.91409 47276.30271 20964.43241 16209.04761 8534.590706 5440.797149 11717.5726 230.5818849 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21089.00011 38237.07066 15789.50703 23915.51079 30071.74928 16283.89854 30328.08673 7313.763331 23374.58088 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 39443.16166 4.07813e-08 48227.91881 4.07813e-08 Pirimiphos-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 4916.89326 3128.446554 2614.957181 3395.89345 1418.916939 4523.313179 690.7200251 4.07813e-08 218.0410049 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1456.9025 3775.24132 235.2893289 5370.760926 3562.923777 2576.473081 6821.018033 855.3593928 2375.656305 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3447.290894 4.07813e-08 4184.829538 4.07813e-08 Met-Arg-Phe-Ala acetate salt 4.07813e-08 957.8075458 4.07813e-08 9.275419347 4.07813e-08 610.2570017 7900.129267 5.471837015 131.2448777 1157.558594 669.5562108 4.07813e-08 955.9375994 4.07813e-08 46410.49075 618.4361092 408.8099818 122.1187481 4.07813e-08 4.07813e-08 0.022537681 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 170.1332602 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11344.4501 575.4923776 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.690275363 182.2146012 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.332465895 0.723693767 0.513185289 200.2745886 13716.87959 4.07813e-08 4.07813e-08 4.07813e-08 N-(3-oxo-hexanoyl)-homoserine thiolactone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60.61494899 67.5933037 4.07813e-08 67.88743463 2355.026279 1774.537473 2539.647994 1927.560926 117.3054663 1853.126493 2613.000182 3230.135209 2034.246203 585.9208001 417.3651598 64.75868673 176.0094179 394.1497951 346.8971718 230.718754 354.5570751 403.2177223 6978.159251 3872.9173 2957.009465 3116.094628 6226.242195 3867.682029 4230.711461 3939.214349 2408.259893 251.4844559 159.3567533 4.07813e-08 4.07813e-08 67.66976341 66.12855829 299.8350182 4.07813e-08 326.414459 4.07813e-08 67.30020812 43.35610949 143.0676739 205.2091471 8043.670217 134.4101937 3159.188125 66.08905233 WWL70 2442.156996 4060.678492 925.6480497 1975.936775 124.4511355 968.5159342 1598.589891 157.0771464 4815.693225 10441.883 7722.616052 10016.65474 11300.83328 2630.144463 6929.095521 2605.964192 15004.25713 488.6431149 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 219.5517492 325.3938665 460.6075349 291.2830423 1.505754147 8155.392473 8536.89092 15325.65851 2853.2183 6405.314424 8738.232377 11728.27607 7925.198255 664.7228983 4723.421431 255.36724 225.7240233 201.8389606 4.07813e-08 45.37239008 120.740399 119.112353 1.405158224 4.07813e-08 1106.103804 1308.722384 2730.154461 2629.104941 16741.65772 424.3573626 8486.140095 203.9403207 D-Glycero-D-galacto-heptitol 40452.68517 27772.85832 23131.29801 13013.81626 16104.41913 26031.65392 30580.69222 27920.76094 25311.20439 17207.4547 16856.41068 2845.54854 16237.14697 3594.343254 15882.14949 9415.297607 6947.136409 7336.931348 38220.65054 44746.02732 36583.16842 34846.78728 41094.92461 36104.3507 33921.98051 21564.82466 30831.82375 3411.452534 6185.894283 3919.887531 4112.432026 7555.97259 5866.672414 5576.830306 2181.990973 3199.490773 22654.17085 38597.23647 27838.61383 31492.63512 40853.15924 35404.95901 29929.53944 20368.01911 63193.87513 25581.35734 23199.37837 24510.15523 22460.95365 19029.36687 7249.414773 25254.21401 3908.146544 25352.39612 5,4'-Dimethoxyflavone 7-xylosyl-(1->6)-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 9155.94278 8930.999804 8344.354309 9205.678873 8069.333153 13621.88912 5906.751076 3140.949408 7435.336259 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12753.72856 6858.214588 5224.107762 10381.0131 9170.481944 7769.937147 8215.279744 8443.960913 8025.984205 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2441.602973 4.07813e-08 9682.26219 4.07813e-08 N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine 542.1412622 3043.580945 4.07813e-08 3566.860759 86.48269151 0.209441687 274.3588771 558.698018 4096.469809 4640.673539 13925.72645 2987.727388 5805.363926 12109.88975 5948.282767 2052.036972 4988.005254 4508.507876 917.7368966 17030.55042 1.37286136 4.07813e-08 4.07813e-08 174.8657603 4.07813e-08 925.6709475 1172.742957 5653.689769 1362.624753 1662.198297 562.174676 584.818711 916.2321879 448.2836965 2573.963875 4075.202906 9.050262962 2752.135676 253.7429505 4.07813e-08 16.06646349 4.07813e-08 143.2727885 917.6145171 1785.421219 0.982727893 600.6938404 1315.687963 1677.739793 1714.132865 998.8571913 4.07813e-08 1013.279283 4.07813e-08 Sulfometuron methyl 1251.561826 6264.691314 123.9253083 463.5399723 247.7589241 141.6952456 551.3480182 3318.760269 1111.418271 12699.40595 15554.58958 10791.62511 14634.61327 16140.91544 8206.369612 9722.706039 24320.029 40917.39198 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11848.62826 18104.05153 9839.576116 13855.78005 20499.2901 8018.945612 16550.7095 10490.03819 24005.65522 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 110.370861 4.07813e-08 2010.10103 1912.754249 19617.48351 335.2980607 5072.63963 1431.840936 Sarisan 888.6173742 779.2870605 1166.668848 1910.119949 1805.195466 1012.822758 803.5339179 1422.877088 865.1903701 1087.212802 834.9539512 1079.202086 926.9737292 947.0434166 267.5423432 294.2740961 4.07813e-08 749.13754 1746.813135 1540.552301 2217.407566 1938.328855 3617.968427 1863.137243 2465.569388 2423.297246 3269.641922 216.7704335 484.8593577 647.356131 304.9110015 454.5690351 639.8282295 694.5343882 95.29753566 646.8597367 1328.386341 1347.483891 1484.431226 2237.723833 2522.30543 2825.465509 2380.508941 1933.452769 3454.323114 1056.205909 1162.449585 1232.073015 1642.154865 1505.43135 830.7761096 1800.888971 295.3404113 2462.863614 Oleandomycin 560.5081303 2497.676201 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 695.3497134 4.07813e-08 2631.501939 4.07813e-08 4.07813e-08 2932.47723 4.07813e-08 1042.418102 5799.458506 386.7784414 1664.21623 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4809.468129 4.07813e-08 12831.86004 3810.11901 4.07813e-08 1143.9818 12738.5827 3058.20101 30480.24353 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 469.1850978 4.07813e-08 369.6206401 4.07813e-08 Ethyl 4-(methylthio)butyrate 805.9419993 364.8058142 504.6904686 516.3299066 539.9660949 522.2044876 699.5682102 321.0713199 144.3923442 2680.475665 719.5285124 737.5321652 1994.422068 1093.872598 643.0674605 2039.140714 638.4090211 129.058075 813.9335848 887.3500754 597.573769 629.2000058 295.5800511 928.9983743 494.4761246 621.743399 487.8719049 802.951509 1302.196007 608.1585171 775.6961065 385.7344087 1095.055517 464.2445658 2283.640981 241.0931448 279.0499047 508.9464089 447.3059644 426.8461291 564.786113 487.3620724 606.433258 304.1584222 786.531321 412.0692119 463.3544229 309.62062 199.4282836 150.7227491 4.07813e-08 407.8139152 4.07813e-08 417.8109765 Valaciclovir 2097.458242 923.7499043 3728.159041 3088.154033 5712.501097 1914.778838 1521.820197 7582.36748 5371.757147 201.0765353 0.346484429 4.07813e-08 4.07813e-08 4.07813e-08 226.4103052 195.2811377 254.2786271 252.4538456 8495.106363 5334.500977 6355.304672 4886.466618 4726.333751 5437.78319 5546.652465 6288.421268 10553.37058 258.0944409 4.07813e-08 118.7660587 93.64941702 420.896513 102.982921 328.7639371 82.47615688 306.2859452 2762.719145 4363.257811 5215.308512 5947.524333 7656.79094 5708.799894 4245.492587 6253.815808 10779.88355 3443.686347 2342.303074 3819.211514 5103.94329 2247.951788 238.1073282 4640.36284 2088.413507 5367.795171 BUDDLEOFLAVONOLOSIDE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19355.05924 14037.31168 16802.22162 17712.62348 16008.46212 19102.01934 8471.839171 10640.17246 17838.88535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19442.37287 22950.75382 15211.72259 17491.31211 22817.78816 20333.39821 31202.76312 12066.10471 10618.06249 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 30781.27484 4.07813e-08 16994.56235 4.07813e-08 1-Methoxy-1H-indole-3-acetonitrile 499.3421588 440.1351878 311.4159914 541.6770449 710.0232411 600.3723407 428.2969989 480.0639226 271.2961277 455.5703679 862.6666554 476.4871764 691.8965373 388.1732197 166.1106192 755.8073919 278.0327555 1698.151726 569.7830124 396.2006989 713.74708 568.6348478 377.3398528 598.5981847 485.1635942 741.144239 569.3337332 167.9525887 964.5279385 1094.203487 891.6475526 729.9878652 885.0944341 759.2182874 306.2695052 555.5618596 629.1968223 398.952001 563.0461584 593.2119339 495.4688917 820.7443853 683.9265386 621.8672324 420.7978319 322.6409906 260.024716 530.9851056 381.9977516 474.8812214 441.1228571 329.3827834 642.352265 483.1313537 Hallactone 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 9932.896547 995.6183 7966.209609 10122.22964 19198.58347 13887.11315 5411.996541 4.07813e-08 25229.91465 14.63520017 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21.39870891 83.23409858 10148.222 617.0184159 6164.106778 1449.285066 693.0609534 5297.964779 4.07813e-08 11743.75455 553.06729 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13399.12473 4.07813e-08 2109.382386 64.11935861 LysoPA(i-12:0/0:0) 4189.64615 3743.696684 2930.205013 4186.637465 3451.649835 5312.185962 4738.093368 5369.046523 5768.109189 4.07813e-08 4.07813e-08 4.07813e-08 109.4269124 4.07813e-08 4.07813e-08 13.50707148 4.07813e-08 4.07813e-08 2841.441638 4298.694841 3846.738034 4522.6946 4189.613879 4504.882212 3909.906703 3112.395297 3892.793773 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3295.558897 3194.457856 2708.989995 3197.005757 3597.143828 3584.691899 4365.788425 2779.602322 3762.710897 6732.345742 3283.226969 3555.933463 3986.017556 2364.134114 4.07813e-08 3471.481356 13.95789306 4831.740925 Methyprylon 699.4317111 71.38310787 1032.137612 1506.668348 1560.786701 1248.919855 618.8196949 355.1677962 151.8242828 131.2722227 320.108441 61.63390394 350.3064425 71.20000873 316.5740013 108.2992106 4.07813e-08 4.07813e-08 1321.225394 1329.606693 1387.405103 993.2838996 1807.131617 2483.29615 1518.094224 1700.215612 1891.968316 46.76343943 463.9068295 4.07813e-08 201.7816388 172.9870157 286.3879436 201.8696205 166.3147265 184.0372098 935.689236 716.8975177 856.3397729 1124.60135 1546.206187 1578.248244 1909.678336 1565.856022 2434.886205 999.2143688 444.9686513 754.5652169 460.4049356 751.5621568 280.0496972 627.3470877 218.8023821 926.5346791 3-Mercaptoheptyl acetate 2646.8212 808.7372017 1102.42035 1222.549313 1336.188463 1682.658954 1303.421062 742.3444578 540.9058073 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 810.1484602 970.6480449 812.8249498 1085.684534 1280.42988 1053.003984 755.7043589 373.7778862 305.1595498 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 594.945321 1289.312361 756.729718 1081.386151 967.651076 923.454926 1009.540708 431.453388 1355.881524 406.8662379 432.727577 237.8280418 290.3374831 231.8466197 4.07813e-08 562.6531703 4.07813e-08 658.203146 Palmidin 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 17118.8654 8641.684698 11827.41051 12177.15125 19977.6308 24147.87193 91037.17896 105810.3409 155.2520466 4.07813e-08 0.492512348 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 110234.1772 8239.297794 14803.86965 9286.086011 8776.959509 33444.32039 18129.38926 114978.897 35147.45338 4.07813e-08 4.07813e-08 0.045903029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.170778699 4.07813e-08 4.07813e-08 4.07813e-08 1025.210446 4.07813e-08 4.07813e-08 4.07813e-08 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol 2665.063016 1296.591179 1943.463011 1882.401994 3372.950914 3471.243324 2698.478132 1297.588473 1268.985722 166.8021712 4.07813e-08 4.07813e-08 135.9747626 4.07813e-08 105.0530547 4.07813e-08 4.07813e-08 194.5972987 4420.684715 4091.648739 3714.145323 3848.560909 5057.543334 5424.70224 4123.275674 2819.445992 2710.988724 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2811.682639 2764.38201 2462.903886 2648.263759 3939.130667 5252.25448 5099.836479 3525.086311 4493.149371 4074.645662 3030.178635 3799.589618 2147.473324 1887.506867 71.81459221 2754.954421 4.07813e-08 3465.408624 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxytridecanoic acid 4.07813e-08 4.07813e-08 4.07813e-08 440.123902 803.368698 589.8202089 216.7304636 1071.350523 247.3716859 4.07813e-08 4.07813e-08 215.4824179 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 245.6651762 1376.853738 237.0032506 922.8340692 1711.880794 5521.031578 1841.229785 1307.110891 4.07813e-08 288.75624 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1258.424995 4.07813e-08 1227.039978 1517.795228 1759.199753 5172.518304 797.4841025 133.3184829 645.6286911 4.07813e-08 3555.175375 1640.482939 615.1622221 2041.34776 545.5808906 2857.875212 518.5937966 1052.612561 Glandulone C 2454.77099 2023.788117 1602.486567 1276.788077 1411.065344 2115.328438 3401.743655 4828.414734 5783.736656 196.9458303 4.07813e-08 4.07813e-08 163.3318031 4.07813e-08 183.8612103 4.07813e-08 4.07813e-08 464.3555525 5624.515503 4240.043922 3251.472833 4763.103263 5249.028117 5400.149982 6172.161319 4588.280433 3288.422938 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 171.3878931 113.0523676 4.07813e-08 11.55844503 3658.709758 3115.180601 3468.872392 2919.477533 4747.24097 5546.691679 6224.79419 3175.880811 5349.452027 4537.527392 3717.372635 3684.838082 2583.933786 2717.840262 1569.632708 4407.828335 140.4455334 3597.019649 2,4-Dimethylthiazole 1101.406155 1107.085805 1439.159276 1397.550587 880.8957743 1621.218422 1611.076359 1620.22542 1052.900386 128.8801521 92.23942675 4.07813e-08 233.5548193 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 110.0397724 1435.962484 505.4431398 881.7676216 453.0194709 344.7564744 586.8927726 1027.897958 1512.578111 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 101.7040283 4.07813e-08 540.0928188 738.6241845 497.2346644 1163.845791 655.560824 557.4499182 303.8269208 978.8863866 916.6911294 1343.513993 762.7510909 1159.384548 689.7657498 314.8426128 4.07813e-08 471.0464467 4.07813e-08 584.1750439 Geniposide pentaacetate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5745.693809 78.06684196 2197.643711 5817.484131 560.4103002 2757.265503 124.2210829 6894.992737 4035.77912 4.07813e-08 4.07813e-08 4.07813e-08 456.7989913 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7905.098317 3143.639389 299.5053669 13226.47346 650.0888316 8092.507255 20288.12894 37086.73162 7769.957548 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2188.120847 4.07813e-08 1818.378093 4.07813e-08 Theaspirone A 1055.829406 1262.26958 975.4026608 1305.914476 1175.429572 1831.359853 1491.778456 1141.693335 1109.550553 4.07813e-08 4.07813e-08 76.45393863 54.09210907 101.8696525 77.28334313 4.07813e-08 4.07813e-08 90.03298256 1905.059388 1776.818908 1452.12658 2189.464542 1470.602266 2258.236698 1968.144454 1279.402422 1430.143375 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 59.57165594 4.07813e-08 4.07813e-08 1218.20476 1937.548766 1373.14401 1430.620779 1482.113433 1848.071638 1559.23663 1100.533609 1019.638683 1288.606508 1216.785806 2236.796808 1172.619178 812.203148 68.57687925 1850.212275 4.07813e-08 1425.451108 2-PROPYL-3-HYDROXYETHYLENEPYRAN-4-ONE 662.5353853 608.2995422 1060.5541 1495.751498 1455.72455 1478.399838 1182.272638 982.5255523 989.0916817 4.07813e-08 110.0942743 45.2452724 4.07813e-08 4.07813e-08 4.07813e-08 60.41499162 4.07813e-08 163.6857462 1934.797419 2471.908784 2176.093059 1808.464751 3506.834425 2934.922361 2362.752117 2887.901611 3113.787948 4.07813e-08 121.4025163 60.62340986 4.07813e-08 4.07813e-08 126.8393067 159.0969478 4.07813e-08 4.07813e-08 1384.579969 2491.074063 1470.399055 2396.113349 2076.276814 2651.156653 2804.644242 2583.115296 3239.251823 2333.978565 1123.109022 1845.205186 1183.2401 1719.840886 50.36966417 1665.528326 172.5219298 2109.291733 N-stearoyl glutamine 4803.387175 5035.99204 11017.77714 12257.17446 13811.19803 8387.704383 4447.370206 1862.105522 1505.024962 2376.211364 2583.495585 6415.336566 2395.856805 6071.740914 3637.14682 3724.564062 318.2649894 500.3403598 9379.604258 8607.027903 9245.943329 9584.952346 9633.571458 6013.788622 8645.609045 8802.152913 10054.21865 2227.031321 3725.113669 6780.61909 3209.468718 4004.214174 7148.805028 4044.588023 4068.502593 7574.90405 6198.002381 8292.719474 7564.740714 9485.889985 9800.146921 12545.31723 4321.038836 9291.636341 9112.989142 5185.532226 5615.048952 7454.290381 5500.899961 6565.075419 3443.582137 7390.179963 2209.042277 5631.451397 guaifenesin 414.9576891 167.7080251 676.6688597 630.9475385 973.3344025 4066.010918 1028.808206 361.7146894 1737.122575 4.07813e-08 28.74301428 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 586.2010998 403.9928789 431.0847621 457.6620209 447.3360285 1374.621716 419.2086298 465.4583684 620.9619338 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 372.4573105 536.955621 605.2510351 471.4987978 456.9497778 445.0272053 1104.045734 452.1725413 391.487307 387.1222647 198.302629 2548.708234 427.1365495 663.548195 4.07813e-08 538.8932113 4.07813e-08 610.4005101 Linopirdine 760.9073952 2559.755573 287.4194408 479.5289341 174.9259805 1237.69919 360.5061361 243.6931964 3014.061423 12421.88829 6150.012341 46993.01785 11065.56904 20166.05745 33072.43645 26605.6202 16846.00797 3839.775986 1313.329422 965.4704954 316.3966455 416.1492234 820.0893864 960.3917967 971.7783953 4.07813e-08 245.202104 4399.8433 14817.63592 57280.58396 9880.046559 7685.063764 8373.94523 24726.00336 5833.406279 5260.380458 728.9393147 146.5061714 90.84239202 1090.763488 1398.628797 1164.690902 281.4521348 126.1334722 297.2343672 962.2551472 1530.299357 2113.542985 3033.848792 647.1437299 33133.42814 3074.192098 24488.65153 1176.066366 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es 7556.47436 5449.163867 2574.706969 4566.255293 4096.669516 4544.669063 7529.193916 2706.004345 5466.048349 858.0744375 381.513049 1150.609105 375.8788813 1290.632359 258.5414353 1379.985019 853.2675343 1077.855899 2761.239442 5693.469763 2539.056791 6483.1032510000005 6532.298498 3064.916788 7854.064135 4036.854751 5818.11935 4.07813e-08 207.3448456 1136.583724 232.1769358 1503.392766 188.1776841 216.1732547 4.07813e-08 1918.710062 4570.729848 13652.48382 3220.865295 4112.648815 6190.39509 4344.709423 3302.966602 2739.156635 23760.65155 988.1400581 1323.386105 2118.233346 3508.321474 3032.013277 676.5254014 2688.293513 373.3401025 3644.710679 Penicilloic G acid 1144.642901 1217.749645 3318.671494 4226.891092 5591.593628 5802.822185 1539.909482 2378.110536 2681.937011 7.253665024 5.552179145 5.611938249 16.12722231 1.744062758 0.031996125 4.07813e-08 0.633849431 4.07813e-08 4546.265132 2993.997972 3047.974871 3523.299152 1445.238015 3631.303008 2000.944904 3546.387112 2112.517766 0.003520543 0.718947019 1.815830266 4.07813e-08 1.036318922 4.07813e-08 0.031072822 4.07813e-08 0.061745188 2294.393151 1806.550078 1635.154255 2168.344724 3941.781803 1512.070817 2927.499398 3825.928634 3685.924112 1484.255478 4218.697087 2868.951288 1784.960309 1268.614237 9.118388363 1750.450833 0.578898533 2722.916001 p-Hydroxyphenylbutazone 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 4.07813e-08 3012.144292 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2156.108814 4.07813e-08 4.07813e-08 223.3348318 72.44766835 71.321156 57.14494444 79.06512091 163.4983054 94.10501404 59.16237256 41.13421521 402.1981265 4.07813e-08 4.07813e-08 4.07813e-08 2759.174632 2687.311325 4.07813e-08 14819.83382 4.07813e-08 4.07813e-08 74.20013655 120.5632846 68.06285852 115.7505762 69.34717107 118.4507123 84.27247673 148.1841793 55.21200374 4.07813e-08 30.3307144 17.15380481 4.07813e-08 469.2162364 9.983712944 4.07813e-08 32.56553564 Ergocornine 33624.65666 11215.8178 1797.858847 1301.768613 4.07813e-08 10043.05772 79.62332826 4108.23209 24172.35295 74907.96461 55164.95305 108267.4345 76358.67315 309362.8079 114990.9734 49734.47761 85546.8072 161232.0524 486.4721999 88.84938667 533.0232634 1326.667584 378.0316827 4.07813e-08 99.60818244 4.07813e-08 10.6449522 87006.6632 76798.70494 9689.035882 66103.29731 50207.7328 33383.36784 19229.34756 41029.6943 22276.14083 99.82731863 38.55825205 4.07813e-08 625.3251276 404.9473339 26.70625875 10.73497206 4.07813e-08 4.07813e-08 318.7481538 25827.86579 6588.478008 13672.73676 8335.521924 157591.4062 10127.96456 16804.92045 6992.121594 3,5-DINITROCATECHOL (OR-486) 7127.187892 6698.06289 6792.967073 6792.445499 7020.936964 6442.862595 7008.007334 6937.074239 6601.34896 3794.906909 2944.079952 3205.790318 3561.632164 2917.372285 2718.340776 3722.138381 2124.135636 3375.629903 4061.828026 4606.749579 4473.283388 4848.39696 4154.13717 4276.053407 4547.028163 5977.65283 5337.278407 2245.507425 3929.523832 4775.407185 5516.328176 3953.060683 3778.21022 2985.721879 3125.81987 5353.542155 5582.053114 4889.452354 5299.873486 4506.681257 4851.503817 4529.734471 5026.30925 5640.077366 5014.226771 5746.860114 4345.337608 4764.371321 4958.647773 5058.990205 3037.655803 5236.270049 5580.972996 6576.186763 Avocadene 1-acetate 6786.473736 7958.19859 8440.567196 12791.58707 11193.33685 7783.460451 5214.656941 5020.067209 5961.793576 4.07813e-08 207.1145452 1122.009387 4.07813e-08 723.4006723 4.07813e-08 315.4784161 4.07813e-08 225.4961882 17314.41464 13569.95526 10520.47224 10564.52697 13441.71211 11337.67752 12112.52072 14173.4141 13265.8301 4.07813e-08 162.4171592 970.3846658 4.07813e-08 255.6867963 842.9827653 4.07813e-08 365.1360782 1860.913762 9061.693549 10621.16508 8950.922298 5531.897601 11979.6998 14828.17947 9441.341048 13158.32126 16386.89876 11856.86246 7732.562505 11061.19181 6415.472888 7029.094465 866.6982888 7256.039982 4.07813e-08 6088.618575 Hexyl hexanoate 669.5877702 454.0445416 858.7145565 1186.439136 868.9219729 733.0896833 437.1019281 681.8358636 372.964776 4.07813e-08 4.07813e-08 4.07813e-08 61.09688162 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 685.1379361 463.3732674 249.8019258 545.4075614 179.7784241 509.6915462 493.4340722 414.8065063 441.4042637 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 500.4847851 901.8476945 507.6628112 271.3841354 338.4880158 451.5842876 501.5462028 340.229546 348.2692531 519.1927979 211.1038786 550.2700197 515.2707677 466.5485784 4.07813e-08 543.700901 4.07813e-08 641.0824992 6Z-8-Hydroxygeraniol 8-O-glucoside 10955.48383 6023.723286 8164.124608 8653.940494 10391.77831 9146.691653 10525.07529 6732.034754 8384.621256 234.4723347 591.8287193 370.895514 472.7956159 159.6036786 167.5860825 98.02684715 302.5478134 1758.962606 17562.4071 14640.3685 13591.77483 15256.27359 18269.95357 15865.50573 16593.37037 8931.133378 11260.99606 71.34615685 366.7658343 318.4448038 4.07813e-08 806.2055588 76.85317218 866.0683405 4.07813e-08 1832.324744 8631.161094 12675.48145 12017.69195 13500.7415 14482.37759 20240.19596 14624.1501 8522.182181 11429.08924 13350.16415 10888.46623 12688.66673 9359.623222 8542.632736 1105.745679 12506.40608 262.2183212 8999.892252 Compound V(S) 4941.961338 2038.589363 4273.65946 3811.83245 6122.576869 5302.537332 3958.000365 2242.601953 252.5855815 139.322548 156.1502452 4.07813e-08 133.125942 4.07813e-08 323.458607 58.11410834 4.07813e-08 53.26233691 3953.812388 5885.754356 4030.459129 5612.884537 7168.231024 7390.166631 5374.428307 4579.572816 4900.294342 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 65.46163107 156.8272685 36.41037738 4.07813e-08 62.8872327 1704.650543 5102.043518 2597.605515 3492.985769 5464.583241 5467.101711 6195.265086 2855.044188 8146.618081 3694.755985 820.7758885 2039.001168 2118.518973 745.7546779 4.07813e-08 1473.040354 4.07813e-08 5787.62077 Hexyl 3-mercaptobutanoate 501.9477549 173.6296679 428.2637989 355.5695855 541.6212242 484.112961 326.6685229 364.1598919 795.8356017 816.8665349 569.4980382 295.3237898 957.8831097 105.3763915 288.7870992 204.4358608 4.07813e-08 159.2803184 1313.978894 1330.98573 1192.518919 1145.987427 1239.945002 1589.268415 1115.019911 810.8511562 733.3787751 672.0382999 1107.966116 63.11285572 789.4128251 689.3550525 636.8909491 824.6212549 947.6239937 139.8727795 1290.463739 1097.777927 1211.279512 1060.117885 1349.28073 1156.769291 1138.526775 448.766566 924.3164046 647.5287884 506.1495092 869.2462029 687.713683 556.0759364 732.4859301 779.8969367 334.0492006 773.6549864 7-O-Acetylaustroinulin 3172.414175 2037.175307 691.7808772 4386.947543 8208.932986 523.1586857 2098.534041 849.9835221 1974.700353 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 125.8980118 4974.767478 9382.834764 1098.243737 11690.29353 3952.968253 906.8811177 7313.298877 3974.391915 2135.271669 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4934.224825 4086.874818 1153.17655 2177.028702 13597.11754 3295.725261 1554.672551 2605.359256 2455.343633 3223.911883 6317.326454 6955.255701 2166.751578 2207.823484 2426.304017 5348.501478 910.1837718 8640.39748 6-Methylnicotinamide 679.197702 546.5948826 1183.216142 1311.128897 2109.415149 1776.590085 1771.755752 491.8133013 307.2677773 108.5838095 4.07813e-08 4.07813e-08 147.3044963 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2250.131388 1990.856336 1754.284261 2622.54918 4080.007699 2464.089208 2867.20003 793.8372638 575.8085365 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1082.304173 1624.933844 1940.276058 1668.236745 2752.62007 3735.851261 1929.710847 687.8148743 633.4110852 2340.327397 1773.436615 2166.066145 1820.578893 954.5897953 4.07813e-08 1698.087297 4.07813e-08 805.6465244 tetranor-12(S)-HETE 3635.200734 3230.357341 3767.874641 8364.087902 5477.224502 5514.46454 6953.582846 717.2081727 2582.132765 4.07813e-08 4.07813e-08 1498.402083 433.8311226 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8618.970807 9816.72726 6205.621229 13441.40112 12237.65104 11228.7802 11086.24153 2092.895481 3437.500509 4.07813e-08 4.07813e-08 4.07813e-08 74.57557371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5440.377449 9609.832036 5832.114742 7303.341981 12195.01126 12375.24122 9471.30434 2088.338887 4548.482275 9780.386949 5526.487045 9759.13716 4604.307161 2924.804627 4.07813e-08 6817.244149 4.07813e-08 2664.316076 Contignasterol 28603.59915 36920.9579 35556.67887 43344.41854 33845.04784 41709.29117 38390.30165 63255.27402 42039.46236 4.07813e-08 198.7335208 3877.799367 574.4516491 3027.673298 3519.955673 4.07813e-08 456.2766059 14510.47404 24187.79329 27497.65786 22266.57067 30759.00998 15594.99956 16636.07755 21072.974 4445.655428 3033.164951 4.07813e-08 3454.379004 4.07813e-08 248.2064646 164.6057609 4.07813e-08 3838.049156 4.07813e-08 1401.842313 27479.70919 27524.6967 22099.20011 29639.18182 30896.90199 16842.29565 12350.2789 3478.092171 1439.489059 20378.4881 25518.17654 42369.03792 44751.87703 35014.64499 372.3837146 32800.35061 4.07813e-08 23623.68081 Edrophonium 2286.889652 2449.380545 3916.081014 3458.334605 10686.11711 3416.48022 1466.308334 1034.088073 1281.643075 4942.456493 5037.821874 3009.646005 4555.532375 3442.374599 6311.989471 3412.688944 2418.755925 1813.58088 1613.374693 1123.88238 1691.082485 2886.753543 2329.226702 1560.298872 935.0673648 2044.156295 944.1745844 1754.653278 2555.446404 2334.070375 2332.275416 2482.954786 4245.289349 4623.365335 3519.132068 2034.288285 2567.48755 1195.642299 1617.873543 850.8120852 1004.362278 2608.607947 1634.272082 1099.616907 2408.922398 364.7393608 249.7946225 756.5171096 999.6199557 2517.139168 1735.346615 1783.029398 3056.679419 1804.645642 Leontogenin 4585.608155 6956.168828 8601.837618 2427.641251 4147.74988 5734.525664 2876.017598 6156.014497 2461.87742 924.7739474 2244.551427 11575.72879 1177.004977 63731.56313 9385.112717 8957.639618 50451.18644 6349.014052 1461.28802 985.9534637 2299.155395 2514.111465 1135.840905 1740.429442 682.6151939 1241.624978 482.9355281 4453.762795 173.6120876 4.07813e-08 192.3648251 0.039388422 4.07813e-08 169.9006702 1604.133552 184.2353478 1770.299868 258.0512741 1953.457303 3405.332184 2552.362708 950.5012689 1723.780545 911.0575086 925.2245183 7815.692983 8102.536452 1084.883922 2494.233013 1350.203437 349.0207454 406.5863137 4.07813e-08 543.3502021 7-hydroxyolanzapine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47032.9325 40153.8631 106428.3692 31544.93488 129450.758 32846.76937 53209.30021 83437.35695 106606.7172 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14063.39487 32168.67013 95036.67635 18176.61164 24820.18022 19023.22317 11218.90873 63109.56901 71123.11675 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22041.24432 4.07813e-08 39023.00974 4.07813e-08 3,4-Dimethylethcathinone 5858.185838 4801.693168 4024.669855 461.7149389 4.07813e-08 5116.720722 279.5537857 7876.932042 7656.951476 3204.171429 819.3138762 36605.96761 3194.310685 46245.20865 41280.429 12593.157 41454.26086 40275.70791 3458.251733 1203.92073 4657.606454 1677.442217 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 153.8346749 15890.59983 25056.97555 2364.70043 15793.74329 4897.67192 3545.742781 23136.42204 24920.01922 9251.874015 5420.651986 515.8589773 6344.015111 953.1802695 137.1716949 192.953128 4.07813e-08 4.07813e-08 4.07813e-08 5764.370634 15695.55176 8422.426845 14157.23108 4904.131045 7056.418626 8814.996777 1205.76295 3145.321909 3-hydroxypristanic acid 294.0757349 1834.360684 7141.085644 10969.65859 12906.36541 7898.485712 4747.388944 5309.971029 2839.619632 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1090.313912 1463.000292 2547.512565 3128.297044 1018.526415 6813.043756 1479.912165 618.5468377 3307.635245 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1718.526504 4179.514298 5358.790602 4223.025387 679.7769813 6722.630459 923.5569066 1151.518618 305.0500318 125.4079332 1009.628649 1112.234315 238.2823095 4.07813e-08 3845.362281 4.07813e-08 5232.506841 N-AcetylCilastatin 4.07813e-08 493.2022539 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 214.1308914 1703.886122 747.8495171 3417.313633 3991.554037 6367.631618 3341.310491 7264.158709 4261.051933 6728.691875 15078.50111 27219.40294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 134.7384481 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 18940.38178 18164.89336 11756.97659 24733.48408 29111.04383 13941.90589 17236.50861 12902.13185 16631.55718 5335.801288 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1135.077395 460.7224321 4013.13478 2906.315759 21129.59611 3049.69571 5607.650641 370.1266515 2,5-Dimethyl-3-propylpyrazine 1745.809563 518.8037391 1034.007895 422.0747954 372.5120269 2189.070858 1112.503138 1091.470942 1247.236705 4.07813e-08 104.7827578 67.89507031 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1380.672118 1807.753223 1295.544389 1166.564259 878.1636749 2422.51298 880.44306 1172.106747 2577.515161 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 273.3528311 4.07813e-08 70.32218215 4.07813e-08 4.07813e-08 1259.430765 1305.579489 744.9022738 897.1966631 1260.708186 546.4770515 3285.233553 1159.986132 1254.435847 2234.216468 1655.169596 1255.036004 1020.980749 317.9009002 4.07813e-08 1141.034853 4.07813e-08 2331.131675 Tetrahydroharmine 4.07813e-08 2910.666623 4.07813e-08 4.07813e-08 4.07813e-08 2083.63742 780.1792922 1685.076656 3668.766461 335.6619112 6.033751864 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1767.931921 321.3870191 1313.314606 4.07813e-08 191.446128 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 556.8544607 4.955187028 629.5782393 4.613048891 4.07813e-08 254.0285375 4.07813e-08 11.96127105 661.4267102 669.3678541 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 353.7470281 8215.395629 3477.775919 1407.195905 1799.535826 628.9387506 6374.83181 4.07813e-08 972.8497967 Caulerpin 4.07813e-08 7293.210016 2792.408119 7096.52723 5034.616048 206.0977291 9500.149086 10266.43528 12041.85438 72299.35898 55538.85457 56238.90747 63175.08557 46482.418 79633.50814 40273.73698 34896.67902 62073.08777 98.74202293 546.7661644 670.8789524 2213.929514 21.53096639 66.12981145 3367.526961 1912.027609 1732.783171 41050.52845 71223.04433 52293.15482 67427.75355 73525.97245 56336.08276 78375.64319 40399.48507 62876.09012 2952.522771 4.07813e-08 738.7850815 1503.857913 1335.076154 410.6717298 12.1971471 1100.428948 2878.991282 832.7662019 3149.37739 359.2170862 4008.776038 10057.11895 61133.65455 4345.33967 64667.57555 4177.238742 CDP-ethanolamine 7815.095655 3302.678798 845.4886393 4271.234618 1126.562214 2843.007972 1174.223664 1355.217996 13264.40095 20432.20083 33975.42136 36253.06224 16914.60722 16712.87324 30013.3243 36280.39953 22759.8498 9903.166765 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5266.959917 19395.95458 11976.68286 22286.75289 7397.064881 10389.78649 37611.85142 30985.52221 22776.12315 4.07813e-08 4.07813e-08 4.07813e-08 264.0988582 4.07813e-08 82.89391659 134.3688467 4.07813e-08 449.6132483 625.8656863 15371.27988 2113.451191 4510.312178 2374.784894 5511.352935 5704.698117 50564.02752 1431.892499 L-Asp(4-L-Arg) 4.07813e-08 3897.664155 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1700.77332 2145.705355 959.3464434 14060.1946 13603.93586 5041.177031 17658.78413 10031.69884 9186.38287 6828.996334 4295.779642 15789.70832 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.40723933 3095.60407 1354.126485 12775.05482 11076.117 9227.27141 6653.173658 15268.14928 11116.25233 8693.226936 6586.019215 6790.703852 4.07813e-08 4.07813e-08 375.5859362 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3150.468002 2142.164965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1301.566261 11749.80615 4.07813e-08 10199.20621 4.07813e-08 ALIZARIN 8900.850088 11956.98692 4393.487018 6854.374601 2179.241327 7382.187565 4373.767412 2255.916133 8766.675604 50636.41424 50207.53325 33369.21838 52591.50233 39957.03446 21702.0033 26938.72664 25119.19934 50875.62326 5060.343242 3183.565105 4268.04824 4801.254926 3977.740547 3008.383423 4791.008422 9661.043608 5080.675206 32124.25885 42110.5592 35974.47991 30110.8252 45807.30724 31688.12613 25560.42561 22551.32494 36488.40949 7630.126897 3536.383344 2476.124333 2641.619103 3198.54271 5641.450774 3697.373525 7218.349998 4889.547833 3001.139463 4435.140985 3307.042291 7347.460798 17212.21709 47016.52474 3068.877527 28222.54768 5888.81541 beta-D-Xylopyranosyl-(1->3)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose 49804.3573 154785.1472 77447.32818 91643.85357 71797.01644 92784.83759 125215.2417 137678.4454 90205.85707 66813.5323 64574.40905 56713.61165 62063.54469 54408.58328 26707.72524 48200.49497 37205.82129 217551.766 30753.47643 17997.9735 38327.8124 32597.61397 34344.91623 30720.69323 32857.64004 48660.33317 37804.67002 49333.6036 40950.42669 80694.44158 39534.44819 66999.13501 95129.67157 59191.27668 31118.71115 76779.79816 88073.14483 52482.21268 41268.58048 33078.26027 32243.34703 23113.04949 25826.66386 43107.39236 47289.30706 21779.15378 39529.6914 44598.93512 96050.52056 82479.01076 102788.0487 68223.03064 48702.13953 88743.84966 Acesulfame-K 1870.533495 6633.907675 4615.508588 2599.749175 2823.187805 328.3792261 1423.959546 2245.849496 1782.514832 16921.30646 17012.33037 21103.36089 21824.13006 15058.34656 15606.46166 19282.27381 22293.00628 22079.21732 1208.514012 3668.200762 3690.86094 2363.955239 201.9539491 4.07813e-08 3029.711728 3195.872156 1720.999164 22007.36997 19232.60049 25962.53027 13974.38127 15445.38705 21998.13897 28395.95831 14474.3111 26021.68178 4072.304785 1077.362574 444.0551641 702.5598017 923.0378746 2018.89993 4.07813e-08 2060.49227 2522.644851 4.07813e-08 4.07813e-08 481.1991176 4159.473851 8075.993097 27303.25895 2519.941355 19802.09349 1414.318263 Threoninyl-Alanine 10558.75263 9621.099635 8495.528804 6992.411961 8036.729554 5784.838372 8920.219607 9546.516759 13648.48064 4895.500592 3435.702769 2698.893884 5771.522653 2117.069476 2749.545199 4038.163117 1795.347772 6106.696661 5254.143379 4570.948905 5002.443213 3883.255369 3722.119887 5090.404988 5070.67163 6941.783599 6325.799303 4223.065584 3670.395122 2949.576414 5048.613801 1421.732151 2684.91581 4795.230495 3202.802072 3794.246085 6932.981558 4890.139735 5193.569353 5066.092726 4456.259221 4823.439273 5064.572247 8204.578684 6059.707549 4964.749193 5476.571998 5260.070258 5936.762192 7017.005293 2642.875546 6313.352869 3643.013483 7012.506026 Uridine 2',3'-cyclic phosphate 12752.93474 6953.794998 27044.96111 24170.41671 29184.82927 9821.556892 11941.26901 7132.427356 10553.00546 21029.42152 18795.06804 8908.068797 21982.19303 13718.64269 11202.09085 46813.52423 38316.94064 8607.207575 3557.17058 3056.507338 3482.613665 14343.25661 18920.29614 13032.54816 5207.381694 142.4675872 3568.538356 16860.99993 11939.74632 11186.2742 7568.619184 8306.280037 18035.53309 12325.96563 26512.92339 30174.45896 679.7782268 4729.245141 6376.764861 7875.407549 8747.969294 9074.242126 4830.204883 4.07813e-08 982.4740025 13672.11369 14759.95319 3653.614426 3973.44081 9323.137997 9114.478069 4112.207161 10862.98981 2945.836831 3-hydroxyhexanoylglycine 5133.961911 5350.483837 4967.325692 5836.664495 7761.205635 3821.550156 5544.109644 6446.451715 5005.785389 4644.9272 3685.892968 4060.315254 4092.931824 3782.22785 5050.675491 2595.356507 1626.075831 2294.387168 8497.101864 5525.606279 5710.877265 5100.144313 10361.35834 7497.304087 7367.1597 6530.823241 7544.662235 4788.732259 4224.891287 2739.940295 3827.766082 4138.794761 4040.619281 4264.900426 2972.812057 2803.968387 9554.104063 4314.017491 6759.389257 6496.119199 6542.77942 9674.389284 12055.26774 7673.819653 8693.653319 10494.68576 7722.87249 6707.393632 10061.3326 9344.031376 3793.751512 8650.923492 3821.783076 8162.633503 3-Sulfomuconate 49.1361355 124.9093658 53.4842572 103.460534 146.6520274 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3674.808682 3651.76973 1838.667902 4775.149533 1110.196623 606.2387666 652.9009423 1454.789841 1100.810035 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53.12240238 66.27314442 52.19228788 4.07813e-08 4.07813e-08 1572.591446 2053.66993 1466.198057 1105.519086 807.0102865 1807.098349 2854.211315 779.0644447 2507.48464 4.07813e-08 90.88714476 4.07813e-08 4.07813e-08 4.07813e-08 53.94726289 4.07813e-08 4.07813e-08 4.07813e-08 57.25203155 59.5613514 4.07813e-08 62.87581307 4.07813e-08 1767.58988 125.3948785 1292.725178 4.07813e-08 cis-(Z)-Flupenthixol 2970.026805 4420.695287 2855.2899 3392.665853 3454.945739 2705.90456 2716.249076 2588.590249 1972.478885 10305.59914 8041.144672 7282.929924 9725.182888 4873.666149 6026.768243 4498.688297 3818.231584 8764.083991 3694.631967 1719.224285 3465.44731 3282.374464 1735.230052 1605.21799 3365.354388 3716.161114 2459.663027 8795.842105 7306.615463 5184.944654 6702.388223 5686.054401 6959.485512 8590.436162 4430.08817 4786.975856 3493.325614 3795.603816 4287.438802 5719.130554 2191.150175 3174.717228 1710.911615 3450.633327 3971.515694 1252.733542 1918.399328 2717.454067 1563.981401 3293.154417 9532.304894 2272.828417 8803.798132 1515.611133 9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one 4083.908468 4672.543984 1223.430293 3836.89895 3604.984876 4666.895606 3960.267957 8829.258257 840.0062077 788.4563559 4.07813e-08 2099.717628 1300.230972 4.07813e-08 411.2210147 929.4371764 4.07813e-08 670.063544 4.07813e-08 482.2792268 289.4935777 4.07813e-08 679.4231793 510.1589282 4.07813e-08 694.6408766 325.3026587 4.07813e-08 1146.632145 4.07813e-08 1671.898617 504.9974214 608.4821014 1021.302644 4.07813e-08 711.1482234 2152.311782 879.9476308 2448.61995 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1126.680678 723.2764311 2162.832407 3346.841799 3381.079035 706.8044338 4204.071827 4.07813e-08 9273.738179 2-hydroxyoct-1-enoylglycine 52.66239075 96.3307194 39.51663553 118.30878 109.1077805 49.08592183 126.0070079 152.4954984 233.7345854 994.4343362 718.4968842 1340.058616 845.09739 1348.099333 1573.483786 441.8048566 197.2557671 491.8338479 4.07813e-08 99.85764646 86.94621159 42.56958256 32.5100258 4.07813e-08 4.07813e-08 81.55376168 92.92019466 1436.133244 1333.298248 614.8850301 950.0803577 2035.084795 1368.385955 1784.165571 565.6340316 946.8284867 192.7418267 4.07813e-08 4.07813e-08 127.7639486 132.7735772 142.5791467 148.011938 67.29609429 77.65566677 4.07813e-08 128.8068652 4.07813e-08 320.650903 392.3390068 1598.948001 335.6823428 1052.625852 88.81704519 2-Furanylmethyl propanoate 243.2144685 275.3182719 494.7900031 515.723155 655.464559 244.6411323 348.4128953 451.0647742 430.5075962 130.7094024 57.22311132 76.53543313 100.5552363 120.8839964 25.8498126 281.9647347 65.94626691 174.3532514 414.825467 512.8237648 616.9699945 465.873694 661.90699 732.4084169 684.9800658 790.1640774 561.2222151 171.550084 104.7510362 101.56203 37.86260999 91.12931731 65.09463174 98.98003533 132.0139069 68.7761672 572.7105482 339.1796372 369.6564345 473.2532195 432.3611026 713.96263 651.2441458 939.3995759 956.9286617 346.5553455 264.6516488 451.4113232 452.4736406 263.2609285 58.5465036 275.6236797 4.07813e-08 495.5613771 4-Hydroxyphenyl acetate 4.07813e-08 88.94188896 4.07813e-08 33.25001792 45.88169347 4.07813e-08 75.11868092 88.61550955 4.07813e-08 266.6429117 153.5814344 353.8626732 359.0319965 222.997452 247.6701471 142.811005 177.8927387 203.8755281 108.0911969 81.90071608 83.15227424 177.2285149 152.4791899 32.63963062 188.287047 272.6205163 179.1810932 302.9462286 527.2261393 294.6459751 416.9605746 424.7005973 250.7678346 535.4365571 350.7252643 516.3445721 335.0060656 4.07813e-08 34.27841526 89.76686493 57.52570293 84.36570092 68.43368418 186.3713408 86.45921913 4.07813e-08 129.7563978 65.64109324 20.21449605 272.0405242 259.6029486 108.3827174 359.3566046 49.35498398 Prolyl-Histidine 274.4301497 3213.934 269.4232158 779.9622162 142.3009559 356.6554597 3525.544763 3768.878492 1660.219244 3458.906183 4885.611198 2659.317951 3089.287381 2729.218401 2548.343389 2197.692332 4922.881804 8756.297477 365.9218071 199.5503852 218.4453298 3.31527697 473.428383 254.8290747 85.17204136 316.7883048 190.3109913 1247.521636 2848.007018 2958.098804 1988.304422 2942.218461 1774.056017 5781.315129 5259.356523 1831.173644 221.3749153 411.2312999 58.7725893 423.1846999 605.1460764 318.4550816 182.0117431 314.3098132 261.320793 311.8591068 186.2013566 526.9587451 724.6997186 1956.420096 1908.498094 927.8861046 2867.948488 2776.971252 Metanilic acid 1354.590879 1177.945129 1682.024171 1550.972023 2248.618807 1761.563031 1419.382283 1259.318844 1402.963638 585.0357096 206.2952463 557.8263857 562.164557 567.0560892 505.9468913 166.0033119 271.7854641 123.1053874 2632.346849 2998.175113 2163.209247 2221.145144 3392.832342 2520.60145 2432.864515 2550.336929 2642.797339 582.0614891 290.3349629 412.0956393 196.852315 711.1614761 650.5672122 480.8154616 239.0921887 469.3805837 1836.53001 2422.669742 1802.802507 2567.66338 2607.994749 2799.62563 2533.334163 2509.621924 3860.906979 3139.323605 1759.438511 1930.610492 1452.269803 1763.420226 601.6252913 1688.520172 334.4042137 2469.185215 Phosphonoformyl-CMP 603.8752627 1381.702318 976.5429872 307.2963432 1422.026953 1014.782066 267.7141819 4746.781951 2815.414263 4.07813e-08 4.07813e-08 117.2285477 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 105.3317279 516.7561993 4.07813e-08 4.07813e-08 499.9132875 362.3790911 468.5118191 4.07813e-08 951.6352295 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 119.0682833 214.3597234 992.897779 918.5923305 1423.124501 690.9876391 981.559345 186.4158729 4.07813e-08 5492.0492 694.0476748 4892.377015 2245.729918 3399.859505 4.07813e-08 3492.32198 4.07813e-08 2245.161099 (4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid 58.61139389 57.14160466 441.2047897 658.8031926 485.6669365 363.4365213 476.0620799 421.4421902 544.8749617 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1778.319596 2535.018336 2644.252308 1783.446369 1481.424378 1905.143715 761.0996054 2178.560262 1508.427969 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.403162856 4.07813e-08 4.07813e-08 980.9792714 1639.45155 1681.250705 914.6832129 2081.420955 1038.006129 1772.698073 1428.782567 7127.261111 2439.157007 1654.209151 731.1333526 959.8688314 747.2227396 3.095532562 979.1856425 4.07813e-08 589.2155201 Methylthio 2-(propanoyloxy)propanoate 1338.71168 624.417013 1039.818296 807.8401335 946.943357 1159.068972 1301.175556 473.0941429 541.2418562 444.6053101 91.60603604 143.3637621 257.9022943 71.81943087 276.4544869 4.07813e-08 39.22730355 4.07813e-08 3077.230896 3002.269657 2118.597553 2113.709956 2556.050868 2131.789695 2555.23094 1426.581563 1437.445474 188.1329268 601.3530914 4.07813e-08 95.35785068 253.9430567 222.4480086 293.6357082 217.1755178 4.07813e-08 1767.717613 2084.672609 1724.352173 1995.372767 3016.534748 2120.637666 1997.193186 1035.707443 2803.761053 1846.40417 1579.353686 1511.820003 1497.537458 1033.989938 356.8216282 1677.425392 230.793656 1478.117254 2-Methoxy-(3 or 5 or 6)-isopropylpyrazine 268.7724978 232.6917348 49.05606137 231.5185388 333.8324106 192.3539511 117.553012 167.9631646 163.0602756 30.94399893 4.07813e-08 68.15888227 119.8956875 4.07813e-08 4.07813e-08 44.20790354 4.07813e-08 4.07813e-08 655.0345218 603.0487414 364.3755976 412.7642147 572.2629875 540.2771309 619.0141484 704.0048673 636.7858323 30.05996072 109.1386686 68.75788806 4.07813e-08 55.62320057 150.5895749 28.31449179 4.07813e-08 4.07813e-08 373.1375517 611.8902866 464.2761177 446.1311862 560.9556691 243.4820966 312.3051549 353.5903654 589.3709432 405.162124 374.2572712 480.0963008 435.3660864 280.0641285 148.4168208 469.3408252 134.2786324 418.9314993 SULBACTAM 1505.902248 1307.70074 1603.833302 2235.527871 2765.163648 2015.120651 1549.671288 1339.976483 1487.452508 322.2602063 117.2891515 35.10413341 297.5000894 358.441736 232.4399821 44.62893796 30.65014485 318.2175842 2740.536338 2725.909939 2235.738204 2192.128493 2373.858973 2254.111787 2316.678516 2795.009829 3076.617577 939.2394056 142.1096734 235.5380891 259.8490775 419.9633941 361.9592432 534.2355968 97.88300519 458.1740745 1651.503932 2373.642392 1934.047111 2831.769449 2734.091144 2362.168155 1998.5201 2586.784147 3733.147412 2406.389658 1318.952451 1806.372628 1644.489074 1310.429192 211.7338835 1765.330431 93.51369417 2154.732111 BENFOTIAMINE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16109.30757 24499.21318 19385.40987 20092.09936 8764.111248 7305.088989 5428.997518 3374.863583 6991.081436 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7016.417452 11943.98969 9506.203987 6268.28428 10964.28432 7772.558303 15775.01465 3538.822999 5483.855821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12179.90827 4.07813e-08 17183.8578 4.07813e-08 2-Hydroxy-2-(2-oxopropyl)butanedioic acid 297.2728967 306.5533222 433.4249444 284.3114218 238.4372191 336.5995983 305.3308808 276.5472136 203.3782492 192.5707093 115.5278286 305.9067599 167.0516863 126.0268321 154.2789737 31.08332969 4.07813e-08 89.54945606 361.3253359 536.9343115 571.2832857 448.2083903 418.2994134 548.4839048 543.3685517 657.929667 717.3106694 70.52343238 113.4661841 116.9195091 4.07813e-08 193.3287236 143.8979761 251.9502148 4.07813e-08 68.58529796 289.2546858 499.4365418 449.0800909 497.3588631 418.8748024 527.1184286 467.5561337 541.8381973 826.5936395 348.4047812 176.7843847 448.2091561 412.4532518 451.6232195 248.5857834 377.3812644 105.0531237 386.3392092 L-Tropic acid 727.7283896 375.6111849 731.7655676 1397.97676 1155.671851 756.145328 581.197729 699.3683698 216.9435811 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 399.0064524 718.3001479 1069.515944 1074.636392 1243.924085 702.373988 869.8977797 499.9414118 948.0051333 4.07813e-08 4.07813e-08 27.2183801 39.44111469 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 645.7749691 771.7795675 727.6822216 1224.956633 878.283537 1179.870169 770.2042613 412.5387644 980.6261208 565.901064 71.52344708 660.9719285 756.2836548 882.9141218 4.07813e-08 675.1512142 4.07813e-08 576.447267 p-Hydroxyphenylacetothiohydroximate 1922.471183 1237.018153 878.4306414 496.9663764 627.2187256 631.4234216 487.0202071 2394.091865 1794.324541 4.07813e-08 60.21539824 4.07813e-08 4.07813e-08 46.00606941 4.07813e-08 4.07813e-08 263.0826273 124.6546094 1297.418977 1112.461835 929.1146119 661.9987054 801.1252225 866.9188078 686.1888536 2606.282752 2382.838138 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 612.0611101 936.8942128 1116.361716 774.3322724 1004.93008 1020.062115 710.9905679 2327.105081 2214.82776 575.6017707 470.350012 1131.350281 924.6258693 709.5158583 113.8224062 998.9528861 4.07813e-08 1374.451742 3-Methylbutyl 2-oxopropanoate 991.5024888 797.4430022 1104.184247 1153.517767 1304.51261 1141.559133 943.5881792 1175.950808 1181.757028 270.4319104 283.227101 192.2713387 446.0034171 276.1081004 492.9929902 4.07813e-08 66.68427957 240.2047821 2335.070878 2390.27469 2397.095304 2331.557396 2231.893922 1975.676108 1947.584179 2360.917182 2461.623408 777.7617582 667.0641334 107.3319718 351.9949956 593.2912995 415.154156 577.0503281 36.96346193 118.835606 1515.499156 1990.35775 1728.112688 2219.095333 2200.414705 2461.001998 1817.38305 2235.743772 3158.159959 1484.688752 1519.834872 1603.441776 1462.943878 1576.872414 765.2457168 1809.230472 484.3438949 1587.951274 Simetryn 873.65209 597.00355 773.767435 330.6842509 222.546118 2088.324843 3103.138763 408.5112021 5173.948409 1424.665192 1708.59284 372.6396408 2566.430404 4.07813e-08 1792.83527 4.07813e-08 1950.770723 1038.436336 17755.48929 20407.94675 12543.45521 14705.56331 16695.95137 21359.13063 14419.60122 14003.98005 7516.674476 6258.809349 5608.293166 4.07813e-08 3845.397226 5902.37026 1730.235624 3947.061228 1453.4566 204.2312271 7580.090993 8859.80918 8483.337505 10113.87963 23498.84861 11935.3404 17145.17613 11420.0886 13600.45711 12428.4155 9595.760549 14683.74253 5127.349423 3555.258926 5973.206132 10926.68536 2297.250611 6703.052041 Prednisolone tebutate 11059.089 4534.659479 22729.00759 7034.548258 10530.60447 51886.90506 16759.1027 14230.97297 21159.50867 516.7637637 1249.585499 833.0479877 188.5926866 4831.513162 4326.885456 2297.328042 4623.636282 710.2445611 35891.29354 73442.34231 55903.4951 62637.51949 118522.6523 136706.4025 65794.91088 18115.71752 19014.49728 573.9633558 399.7563212 3922.386763 4.07813e-08 3017.559506 2708.355641 1715.759347 380.3936259 2676.689747 13969.50124 41366.04046 35461.50412 58288.93117 58541.7484 79519.84312 121216.4675 20868.13919 27062.65237 107659.5484 47417.20408 65073.81309 23733.36319 16303.84226 10728.11867 31399.04477 376.6833708 31542.79166 [(2Z)-3-oxo-2-(phenylmethylidene)propoxy]sulfonic acid 46619.29829 42440.98395 52937.06071 52490.45633 55949.15624 57287.47779 55360.6418 50409.06533 52245.83414 42728.14942 34776.82455 40505.06222 40113.04183 46512.78498 38120.36114 48738.86168 40064.22707 41725.99125 40560.52613 43251.14311 39572.37296 44198.26151 44383.07222 44846.12097 39554.66678 44158.42872 48431.54096 36190.15843 39618.54676 42374.83792 50410.84941 35432.78365 36354.7379 40220.3159 46731.81506 47351.70949 45408.26337 45622.9154 42341.87917 40961.00077 44338.99449 42304.02969 43155.45881 45045.44075 47476.44808 44540.57447 45461.28123 42827.65806 42382.10652 42626.46991 32878.56708 44377.32331 43654.09591 52077.44073 Alginic acid 198156.2559 194466.3526 201640.1546 190753.9292 198040.0406 191224.5573 194233.9462 189181.4022 188299.3088 149000.583 135924.2006 140716.3483 142902.4792 166318.7199 137428.3305 182277.3901 135964.913 173365.5019 145698.0471 145883.0346 134845.1253 160246.7145 147846.5893 156825.3526 155519.4368 171403.2122 161589.0879 133412.662 158629.8476 143867.1831 180644.6416 135596.2258 143897.8872 143534.3852 161280.6841 178864.5688 164448.1359 147828.6187 154209.4734 140942.2849 143185.5056 140524.9032 154149.523 167347.0712 170369.0267 165551.7426 169033.0227 154362.8526 158935.6973 154177.8647 125677.8728 154127.1121 157362.0652 183877.7608 5-Ethyl-2E-undecen-4-one 9153.198164 8931.03225 8214.15954 8648.552372 7953.417031 8467.8953 9084.68008 8886.819383 8053.134474 8317.448501 7556.677143 7074.492767 7503.136697 8087.671698 7765.977303 8760.427195 7478.268541 8289.823267 6370.115914 8167.143838 6521.630866 7866.770435 6302.077611 6780.776062 7804.323807 8138.477755 7218.795514 7465.410878 7926.110881 8086.810504 12019.07366 6715.694837 8394.464827 8187.168037 10224.3649 9392.793223 7172.785798 10316.58951 7229.184887 6760.912392 6217.875945 7196.885518 7455.485194 8114.208392 8703.865878 10594.67098 10032.17171 7917.007049 8545.879803 8609.693354 6253.67515 8011.776417 7308.097121 8891.890928 (Z)-8-Tetradecenal 3608.724593 3380.916184 3751.417521 3959.652619 3911.610246 3766.245199 3151.488157 3280.643805 3488.764463 3582.625026 3515.709788 2663.974664 2508.720635 2427.649117 3049.297032 4241.225097 2502.438203 2879.992072 2565.980549 3858.662524 2781.527189 2772.736213 3725.760483 3014.293745 2590.015197 2799.681374 2311.812449 2550.753517 3302.310841 3054.300044 4215.59303 3026.260559 3073.740641 2922.273681 3813.935198 2819.898755 3595.74561 3713.370401 2989.774106 2578.481489 2697.141968 2512.436455 3029.481543 3230.424804 2454.11641 3990.695002 4288.391336 3080.18488 2606.159766 2443.531763 2077.805555 2757.448228 4039.444099 2881.157426 Furoeremophilone 1 1107.234801 1116.084837 1371.579117 1202.939596 1623.009509 1144.253399 909.935898 1675.995338 1273.420085 878.7290999 1257.562143 1162.947904 826.1514653 821.0995039 1060.241973 1830.515513 868.5046069 1160.760916 658.8392766 1083.090466 823.4916259 727.5091987 1030.689811 776.1145032 1122.975663 1264.535786 642.9949902 819.2523686 594.6594249 945.2210328 1504.264833 830.2483443 1324.885016 723.2689911 1535.867771 1268.76087 850.8338338 887.9150622 1030.600303 1011.029348 902.4568982 879.1089781 770.2878933 1268.118194 620.142055 1307.550859 1277.703896 849.6486599 1025.897768 1136.716532 866.4264494 783.5700761 1017.170539 1760.114194 Metazocine 4706.838594 4680.347823 4062.351521 4860.294962 4870.52149 2984.934872 3557.713067 3882.849662 4031.09407 3433.749878 3390.426415 3280.392016 3755.376517 3022.808606 2565.999365 3021.24591 2324.719094 3212.220037 2648.583384 2855.047737 3213.537375 2081.652436 2239.733274 2747.245936 2742.763283 3321.543171 2970.654458 3428.965962 3534.949147 2640.280614 2974.780185 2595.845795 2650.569044 2944.952571 3350.089911 3742.092337 3845.853405 2114.367389 2723.208953 2683.144828 2996.199411 2538.121427 3315.409683 3833.161629 3172.378844 2800.307473 2233.48268 2931.029297 3148.651523 3327.052188 2481.778422 3353.95669 3387.806325 3661.904522 2-Acetylthiazole 76159.1505 79785.78632 79780.90282 81196.66688 85565.6156 73872.9758 76194.31527 72728.25465 76819.21811 67522.05857 67349.11284 62475.49942 66978.36176 73171.92054 52412.73948 84223.96548 56682.92826 74068.65962 57521.5568 57924.37708 55066.11436 56037.29893 57273.92937 55960.43532 57949.08449 63793.20171 64269.64017 56865.20191 71174.92941 55852.97705 72437.42286 59312.22658 58105.84387 54893.0288 63415.3719 76834.38145 67424.00394 56602.22401 56257.69015 53027.24316 54141.10285 54389.95554 62518.20268 64253.39996 69305.88798 60307.94412 63594.59309 60357.27613 65067.9333 61826.98779 50891.40854 60119.5768 73456.14124 77991.39637 AminoDHQ 2050.190947 2151.926709 2284.074768 1801.874075 2364.905377 1993.511463 1907.271052 2124.042665 2422.168291 1130.459588 1070.490871 1117.546875 1211.231144 888.0112585 986.3033136 909.8391404 766.314257 1314.805543 3122.633033 3199.330268 2527.76036 2923.712396 3127.865609 2749.880979 2772.155827 3934.606582 3330.773614 1040.974398 1216.474516 961.4452649 1094.825816 1161.394176 1230.063825 1205.627313 818.7123192 1049.851159 2346.946268 2927.587171 2491.346882 2773.616142 2982.784741 2903.617834 2816.282777 3605.72264 4182.250257 2287.889628 2048.306483 2305.05377 2222.725789 2097.039265 1313.063652 2238.454534 895.1229432 2443.135767 3-O-Methyl-myo-inositol 907.4651446 748.8403819 1094.886743 877.5562542 1743.691283 502.6293496 903.8611571 932.7334183 732.8937297 21.93082122 21.19203527 22.62930549 30.36005199 28.41339099 27.17154942 4.07813e-08 4.07813e-08 104.5854106 1699.668661 1564.166466 1766.558469 1422.079084 1940.432193 1313.156132 1360.129325 1698.250366 1589.627282 97.48952727 28.3029499 4.07813e-08 34.48888529 126.5716174 4.07813e-08 51.45967087 95.00914649 4.07813e-08 1147.296164 1186.075073 1481.896896 1742.738666 1467.778554 2029.969354 1120.581802 1821.270586 1334.925887 993.6297516 1086.063198 1068.507013 1663.161091 2010.15351 76.51001987 1813.853833 81.74583239 1783.376457 Lysyl-Glutamine 270.7939044 442.1429193 1861.993709 1976.649181 2310.129899 1368.941878 569.1113262 607.7492557 677.2499143 4.07813e-08 149.5587812 46.46095881 48.02938825 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2976.949215 2586.748443 2628.918459 2372.522199 3145.868281 3033.913049 2492.140499 4355.798052 3296.4052 4.07813e-08 56.60972108 81.37185255 4.07813e-08 4.07813e-08 65.1579947 178.360188 4.07813e-08 4.07813e-08 1736.957601 2395.651159 2271.855555 2997.566868 2611.979482 3007.233151 3163.99233 3745.82776 3973.974657 1192.075515 703.2230738 2265.241664 1834.65035 1189.476199 35.49663 1556.02542 4.07813e-08 1274.049945 2-Deoxy-2-dimethylamino-alpha-D-Glucose 246.2740612 717.3388756 285.6033282 4.07813e-08 275.4020991 4.07813e-08 4.07813e-08 88.19493447 651.9217591 383.6613047 340.4434162 4.07813e-08 450.384073 4.07813e-08 4.07813e-08 27.13576758 4.07813e-08 4.07813e-08 521.6833677 274.8123323 1055.108755 60.50877307 204.7916798 21.15716953 250.7420201 1474.445024 940.2892923 33.25420109 111.1841412 54.85534897 44.73198815 140.597161 132.680792 450.4565586 28.96571907 227.3714376 314.8636569 106.8208839 369.3726607 166.0187095 127.0328869 526.0693447 4.07813e-08 1415.800877 444.3830229 1192.145771 571.4045163 302.054414 270.1428016 1649.875568 243.2182414 729.4087901 255.7537641 99.3995372 Hydroxythiopental 114.5574497 117.5753958 661.9585922 466.9507523 577.8599394 4.07813e-08 102.8823328 287.9010114 74.26477256 64.25879565 125.9249937 109.0097214 4.07813e-08 4.07813e-08 51.0136071 4.07813e-08 4.07813e-08 4.07813e-08 1393.151147 2032.767476 1093.458721 566.7961342 820.7245411 1559.398457 1242.601293 597.0555877 865.1362112 136.7145284 4.07813e-08 54.80180494 4.07813e-08 309.785874 157.9851421 269.8766221 4.07813e-08 245.2695631 937.8311171 1158.091875 761.0383279 884.1819609 973.0522625 1341.723252 1587.744921 841.1392249 1579.822418 521.4697842 636.4015767 616.8252104 550.452562 442.1782791 207.2925574 820.5551002 4.07813e-08 1339.140916 5,6-Dihydroxyindole 113.25719 795.4803702 252.458023 32.60437714 125.5185565 38.1970486 53.13978639 75.516605 33.70873407 3161.174301 3638.629418 861.1079024 4591.184019 1835.432665 1208.16982 426.5156652 1111.128323 1304.905267 57.70804233 179.9851818 347.9147197 94.51175215 234.2579661 256.0038293 138.980449 105.8485708 231.7897321 1006.893271 2660.048502 1993.536578 2219.09531 4764.00134 1730.921268 1647.930838 1625.322624 4620.230978 111.4614059 68.11241942 100.3675934 100.2723784 43.94373679 207.7166332 211.8427943 106.0998011 42.47358466 142.1800999 148.9312185 110.3632565 157.1565336 295.7834377 2583.381975 48.51157284 1456.698618 233.8590954 Daphnoretin 3495.249533 4001.638178 1931.279192 1735.919831 75.01409581 877.156989 2169.01367 3942.548902 7232.52698 6150.819271 4708.349119 8631.083948 6465.715594 5963.795175 9509.760159 8663.15003 10565.05116 24361.42498 550.2047066 307.3187528 109.1536076 124.09874 4.07813e-08 254.5908029 496.1954879 935.5461601 109.8546075 21270.4932 10123.06332 10548.71262 17838.72879 9694.3423 13770.77078 11028.44043 12148.21803 8801.378388 5963.607465 322.0010397 4.07813e-08 287.5973489 381.5287097 4.07813e-08 334.7016359 994.1861011 211.4102646 93.067033 2694.829664 1656.401727 2456.569576 2784.03186 5548.744517 2279.756397 11764.34962 296.1282129 2,5-Dihydro-2,4,5-trimethylthiazole 53.11257223 119.428697 206.052819 4.07813e-08 4.07813e-08 194.7948916 279.72139 4.07813e-08 4.07813e-08 82.06805537 67.67283257 29.88244187 125.4648612 4.07813e-08 40.88160204 4.07813e-08 48.45833487 36.33188613 2213.890153 2568.626981 2096.431505 1951.112658 2701.962208 2944.168076 2349.155898 2945.01066 3024.467895 701.8711279 141.4346798 4.07813e-08 4.07813e-08 153.1507414 41.64556622 301.7893808 146.8217796 50.65304914 1330.915164 1759.656394 1628.036957 2018.958053 1593.525775 3148.956995 2528.741171 3020.7376 2575.291655 1787.636687 1476.791189 1650.836598 1660.474839 1481.978661 368.3595788 1882.557986 217.5157188 2528.259527 2-Methylpropyl 3-oxobutanoate 704.4472445 490.5629207 681.2798854 730.6432648 937.3949621 829.5242764 629.9295142 639.9428827 492.9288213 351.8351166 121.1227309 283.8036368 193.6304745 95.58813198 146.868369 25.09939641 67.09749739 229.02968 1678.457079 1722.798886 1394.026079 1140.098494 1744.132729 1585.878226 1367.422087 1882.268266 1843.295031 315.5102384 349.7281106 119.9263061 164.7199688 387.3632752 350.510912 454.8105793 96.74428114 90.60064482 944.0618445 1644.530901 1314.357737 1464.17362 1353.033724 1675.038955 1622.967708 1810.233084 2197.06795 1471.748638 1031.030416 1179.023593 1187.5345 1177.622943 491.0225159 1103.80916 335.9415255 1272.988195 xanthurenic acid 8-O-sulfate 4.07813e-08 47.86057745 4.07813e-08 4.07813e-08 4.07813e-08 0.029099843 31.96516673 4.07813e-08 4.07813e-08 18838.06674 18349.95507 3014.316028 26043.11133 3841.27507 2638.118725 762.2896351 5299.553423 2852.264824 4.07813e-08 4.07813e-08 0.183512488 0.213440083 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3014.368061 10344.53949 6481.093586 5796.596052 5126.691589 3384.715043 10570.92781 7659.246509 14432.4214 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.005948394 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3947.781908 4.07813e-08 3365.207274 4.07813e-08 8-Oxocoformycin 67.46579489 258.236567 4.07813e-08 4.07813e-08 171.1239485 4.07813e-08 205.9201489 225.9486962 221.1674416 357.2540095 317.2253567 4.07813e-08 359.0300628 106.1851902 75.70113003 4.07813e-08 48.17986016 86.08938613 569.2956591 537.0308446 385.0162451 427.3432864 596.7980232 646.3773808 648.9339354 376.9221445 381.7931183 137.1611198 241.0948062 204.3084203 102.8410991 268.3059434 67.24467779 342.1773887 53.10720524 110.6015405 130.1224677 349.9316752 599.2460526 623.4767945 299.8566575 868.0053573 560.2153476 296.5634244 902.6761699 4.07813e-08 157.0320814 62.07424473 398.9889262 639.756468 592.360906 363.4372089 271.6537726 217.3532263 2-amino-4-({2-[(1-carboxy-2-hydroxy-1-methylpropyl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 1798.366662 1622.942848 4294.813358 5956.597824 7866.658583 7849.991482 3553.418242 4343.601603 3578.867722 5472.147359 3279.532601 2815.908713 5423.543898 2926.458108 831.9071195 3744.544503 2219.919549 1592.647827 1357.004998 1924.789315 687.7397793 4.07813e-08 2935.036852 546.7049015 2146.818361 257.4330041 2458.760213 397.2091052 2179.260981 475.0973793 525.621619 215.065422 1393.800413 3204.572279 520.6494012 1293.51097 447.7804653 621.5111529 1354.316151 2258.690858 918.4081069 2967.169461 1027.44676 390.721678 4.07813e-08 4089.058739 950.2245969 2432.474644 5303.421477 5937.626338 1117.075449 4346.070379 224.9567088 2593.185416 Leucyl-Methionine 3395.71099 4326.158477 2251.942661 4840.802562 2052.280636 2334.397443 3734.82926 4355.873853 3949.843349 825.1579745 1130.889844 1197.034933 717.1885496 530.8065008 1318.956092 1223.18619 921.0927946 1079.697713 838.8463316 749.9701173 1811.884431 708.2598166 874.5721974 911.1247092 922.0718908 945.9716652 1084.294484 994.5423661 721.8239099 548.1467863 1109.207282 988.0882911 778.3697702 898.0664752 856.8809874 992.7807629 1053.125507 970.7334547 1502.945397 1281.852834 683.0439956 914.44281 697.4568205 962.3439098 957.013892 783.5940094 1621.396747 886.2571659 1984.62851 4831.480773 625.4750388 1028.521895 877.8585805 810.6739577 Herniarin 452.670767 580.5547855 677.3993708 979.9293232 1317.948488 617.1090768 558.7099504 204.1256578 197.9815265 167.8400032 341.8891897 752.220263 243.1987215 545.8374476 178.8574002 234.8984811 4.07813e-08 121.1132876 1116.052501 1108.33152 1088.585034 768.3776586 1333.624667 912.705582 722.7544457 1371.838648 1116.135057 56.71740312 305.0507782 439.2951047 69.4019294 224.3731842 571.3319339 149.592606 120.5337477 378.6475367 551.2253236 469.1840384 781.3513532 746.1586462 834.1975107 1063.067839 746.3793265 1447.350548 1630.893806 722.1735938 797.0975566 405.2413441 531.6020258 568.4777297 308.4781724 466.0185252 336.9063603 1058.734538 Calomelanol I 3324.854516 4003.29852 5349.984003 6362.566853 6617.991222 4960.780295 4849.992267 4386.524368 3210.250298 313.6557093 391.4642444 505.8494162 266.5032813 15.88482759 530.0785525 207.3134195 474.9443639 30.02574908 3649.83563 5510.658039 4342.328541 4388.491096 4979.916679 3241.160456 3511.29595 7617.751904 4986.80773 559.9077768 316.2575803 29.12485482 177.906871 62.16973437 41.46866076 562.4367533 927.9300835 50.04498967 2834.198923 4148.322642 3344.030352 3397.489818 4370.933535 4460.990168 3007.898505 8700.780115 6944.891526 4338.288832 3247.709956 2527.999122 3679.544622 1684.457933 172.6694204 3764.311751 137.0618784 4699.78085 OXYQUINOLINE 1546.319757 4106.769214 2268.483457 1813.59181 1935.469743 3988.127444 2796.915106 1600.763265 1963.06066 3537.902761 3259.667476 2629.023548 3450.951769 2033.368189 2544.341901 1765.03271 1453.025265 2355.805746 4035.446935 377.9289103 2395.850282 455.0716189 388.7218736 888.3480782 3561.011295 4309.856042 1000.860645 3405.467969 3195.79508 2066.043611 3142.212092 3443.909614 2931.373605 3486.194754 1787.740785 2354.894362 3815.045516 654.5292895 4084.190358 3154.135789 235.7404765 717.7269412 988.4749952 4394.756203 591.4321394 698.4636191 2594.52611 4023.730047 1233.980997 5085.771245 3359.835803 3344.357148 2762.694654 3370.568465 OHOHA-PE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1763.136073 972.4518367 4.07813e-08 2727.178063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8894.532742 3497.349857 13833.61428 21459.14271 10520.37855 930.5736541 3382.550848 2514.10159 5990.951278 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 232.218938 4.07813e-08 4894.480527 4.07813e-08 5984.861696 4.07813e-08 Octanoylglucuronide 111.985849 186.2489649 242.1047852 361.9846043 304.4077656 32.08523387 851.1716663 107.4814436 48.15245459 3610.349824 2661.907239 3295.29274 3717.230385 2439.736808 3944.712058 2157.503696 1551.610885 2731.347591 774.8050539 833.6768492 728.7294124 423.7426567 66.76590371 1419.977793 291.2803569 339.5929901 1433.135827 6137.453644 3422.897276 1280.698974 4241.47448 6465.900801 2344.683333 7123.502406 854.5331905 3055.113015 1022.661641 1245.091902 391.692501 265.3684612 608.3047736 552.8238459 264.4223109 181.8486516 2006.358241 443.9730507 170.5722267 197.8050881 674.1294959 1068.661862 7181.657246 259.7631938 5689.844781 524.5048895 PC(4:0/4:0)[U] 1535.230109 2128.316313 2379.535371 2681.955553 3429.413276 1812.855678 1466.695718 2043.26534 1318.660724 1501.540305 1247.410933 1009.277847 1111.202872 1235.906649 1517.789358 982.3707215 271.9103638 954.1185067 2660.171752 3137.495504 2223.647742 1554.659526 2693.279373 1893.028505 2053.513897 2244.156626 2712.695138 839.4116542 833.781113 1178.114413 1235.962082 1008.379312 1071.652684 323.8583824 316.0106554 1353.131994 988.6719274 1499.391453 1910.326151 1711.609924 1592.271509 3177.404791 1587.967411 1930.742321 2064.133015 2148.906448 2760.159868 2123.99471 2338.343427 3685.012407 990.887183 2201.084468 890.8332872 2757.038378 1-Methoxypyrene 1833.989998 1397.294211 1209.673098 1092.146805 1442.37366 1943.8581 2367.403093 2798.586334 2766.693324 1471.028988 1156.242073 1022.208705 1651.826678 477.5242547 1035.704271 303.7714571 3779.817136 3768.143803 2735.708268 1927.468512 2857.882344 2797.090701 3251.973478 2145.650057 2560.082175 2259.46624 1930.478632 1655.01519 1329.983457 1490.404658 675.2499045 1050.604446 1210.173404 608.3614449 701.1536898 1554.451749 2039.663337 1342.459013 2195.412111 2162.373471 2966.398286 3196.148743 2070.154697 2147.339627 4728.582073 2297.668204 2455.374436 2908.449006 2286.271862 1639.94671 1923.789662 2718.413648 1063.376547 3074.305246 L-2-Amino-4-(hydroxymethylphosphinyl)butanoate 16558.09395 8514.749214 17549.01 29313.08651 45196.99406 19970.79791 22491.88132 27386.71259 14605.05468 1949.885162 1360.997239 2136.271478 2474.105818 3249.22571 2004.58662 265.0908932 1259.228641 4333.449371 21824.29164 21625.93677 29047.25413 26267.29179 61461.74717 25501.54239 32817.2008 12408.46328 19012.78444 1448.913957 1641.324148 1764.491854 1919.630621 1357.616208 1349.535999 3224.335275 891.6978661 6932.210103 20273.23444 16096.45972 16647.89201 36535.80563 27825.36426 48719.95467 21102.59644 15060.88655 19506.94268 18357.36339 16814.35759 19916.96003 22308.15469 21800.61654 5429.775468 24658.06567 772.736636 28317.55949 N-Acetyl-L-2-amino-6-oxopimelate 391.5958456 204.5314838 59.04297513 241.715537 503.4874983 515.5280515 336.0789705 416.9817441 599.252744 155.3306713 4.07813e-08 4.07813e-08 96.61099501 4.07813e-08 29.09842983 50.86586315 4.07813e-08 4.07813e-08 1952.177282 1806.911004 1636.326243 1128.169248 1682.801139 1919.469837 1316.378519 3002.070097 2636.680228 125.5885826 4.07813e-08 4.07813e-08 117.1230613 146.2170094 89.71087001 103.0595086 151.6695808 4.07813e-08 1017.706469 1143.304339 1465.695626 1470.115606 1583.514674 1724.585873 1486.908414 3216.699748 2087.738606 659.540897 592.9749088 1335.099907 1135.273866 1341.085899 83.93988635 1482.21913 59.73764252 844.5109725 Dehydroepiandrosterone 3-glucuronide 832.6858598 4332.126467 346.9104674 282.3051734 136.6905263 178.6629036 1582.400698 1148.489313 2444.153114 13038.44646 8455.530787 6874.29982 11868.9771 3677.608789 7814.811463 2711.669376 1167.126577 12156.37851 4.07813e-08 4.07813e-08 305.1959694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 217.0203996 4.07813e-08 10385.72253 9347.03197 4998.698882 7855.092543 7019.584267 7938.7844 15671.36229 2835.971473 3191.263712 4331.111454 678.750304 2496.067469 4.07813e-08 4.07813e-08 5.624749614 4.07813e-08 1048.26712 4.07813e-08 4.07813e-08 4.07813e-08 185.826787 1292.751508 4643.421022 11355.36893 705.747594 8153.01459 4.07813e-08 1,2-Benzisothiazol-3(2H)-one 3.732035808 36.56462367 4.07813e-08 60.76407639 325.8117569 30.78123031 72.58095161 73.88288007 99.94136587 28.35247599 25.53135328 55.769153 4.07813e-08 4.07813e-08 60.20131465 4.07813e-08 4.07813e-08 32.76687559 879.2159423 359.7981043 850.4857215 720.3277671 1090.202344 1278.458012 682.8007131 701.6097349 361.1546588 77.90059628 62.79691888 1.670333476 4.07813e-08 29.32089103 12.85090949 32.7337236 41.41844412 57.5851085 624.7053414 200.5823926 511.0412062 868.8885275 562.932252 936.1583028 1151.0208 819.3609923 208.8829644 1682.649719 1964.723759 388.4322273 610.5352327 770.6910306 76.17803474 314.9475125 4.07813e-08 236.2134895 3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid 746.3968316 691.9661738 939.645709 759.1346206 873.3896136 845.9871551 806.9831166 1160.878784 1049.417996 209.6210921 100.2576486 203.2884452 295.7229753 35.92302975 141.1047462 25.67424669 69.37428417 237.2138877 741.2296139 946.7817519 1125.401216 1219.662246 1095.695061 712.9821699 869.5381984 1926.257609 1684.163717 80.69596211 229.7015917 246.5917372 181.0601739 111.0144429 256.5438295 92.76253911 140.2729128 234.6604915 1828.540241 687.0417656 966.4388468 1012.865779 798.676067 1111.990429 811.3276736 1917.782989 944.9111877 801.8850636 514.0489724 593.6424184 848.6479492 831.0927011 288.3039375 635.3393765 114.0221048 766.9803265 Tryptophyl-Valine 3381.294688 5460.750068 2595.434807 4053.746448 2253.400687 3020.005029 5632.958989 6372.588654 6689.390089 1460.149218 1102.125668 1015.03377 1253.930714 909.167656 2033.003064 2228.298354 2092.197234 1596.475594 443.3441784 713.3631207 1778.220176 748.512784 1126.824569 478.3392174 872.8415953 1165.175251 751.2885428 2573.080579 1780.692031 590.6368322 1570.560651 1046.988614 1439.216829 1697.964114 2193.909125 1801.570366 1849.965539 1734.283426 2007.933657 1825.556287 879.9546492 586.3598847 945.1370079 459.58136 903.9829964 451.7955282 2035.959655 1190.472303 3535.343516 4879.462927 721.2929126 1024.797606 1272.89491 979.3175729 1-hydroxyoct-7-enoylglycine 160.8907063 1078.518726 431.1957405 620.464804 764.8864389 284.4895756 600.4876101 830.8454592 791.8355701 1727.910469 2438.318684 3088.730517 1946.023977 1882.861081 2229.177575 1363.506404 1878.77655 1974.192002 737.7593924 740.7027727 652.5981386 434.177861 837.1863315 331.182126 720.8706329 1919.834372 662.1316727 2668.215788 2692.530699 2416.543078 1572.147105 3036.324336 2656.294156 3131.317046 1576.359002 2123.253669 1881.90904 532.3535883 403.0723779 933.8174455 795.5024903 863.1941636 696.0552275 1848.861521 944.2939377 263.5750583 787.2015208 320.4646356 841.6751748 1687.427759 2666.666096 845.2233391 2296.832747 1217.361696 Berberrubine 4830.977952 2290.736284 4961.586946 6627.305325 9097.367787 5079.254754 6276.436928 6656.488743 7777.482525 1163.161419 776.833916 1193.368562 1217.237137 2568.066989 1761.672978 910.9789231 979.8481016 3806.36888 11555.72323 8687.442334 9952.433967 10214.71582 9431.26463 8082.740107 12043.14632 3906.896175 4839.406919 1119.142719 1031.730767 882.3331283 1665.429911 2874.267343 704.4263421 1758.075184 506.1869026 1579.681465 6795.91654 5487.570359 6937.929965 10065.13616 11383.88953 11266.14921 6703.870493 3159.74594 6772.484455 12666.73888 10600.4868 8779.607623 8458.621194 8917.074276 8277.393314 10230.30222 1436.387653 9959.971426 Carboxyltolmetin 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 2540.860438 4273.944889 5026.291419 1920.107708 4507.653687 3261.647764 1596.934118 3524.782264 4114.709999 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2112.28628 5349.439394 5430.786347 4911.384654 4985.201435 3523.106841 2442.691937 4573.94804 1207.943371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.258034756 4.07813e-08 4.07813e-08 4.07813e-08 1413.415133 4.07813e-08 3147.986682 4.07813e-08 TMPD (hydrochloride) 691.6523283 433.421855 468.6134206 487.4427617 318.0353053 524.773935 962.2535381 910.7267236 851.366611 866.5305474 653.686104 444.8646234 816.1868727 351.0791161 392.3133066 194.754257 1040.511264 1215.511095 1545.083813 1130.700455 1149.589451 1115.030473 1706.491228 738.7062638 1236.666013 1442.84087 844.929233 714.6422602 768.3737074 443.50624 420.363576 629.4840841 399.3159276 608.5580188 354.7240603 618.5296542 1029.314702 1141.196818 1036.293813 897.0053999 1003.747584 1814.367954 883.6164056 1024.746982 2073.01387 530.5554388 629.1037539 1130.409185 1102.783397 1029.551348 1298.23973 828.5417643 312.9953637 903.9997181 Quinoline-3,4-diol 1045.342109 974.6535739 630.9966894 1040.978152 1184.012873 668.6278996 1003.399587 1000.15918 410.8774817 171.3419192 197.4048488 120.987348 317.0443429 80.06222265 36.58932809 153.4601192 4.07813e-08 4.07813e-08 1296.862684 1119.673151 1343.02335 3183.25002 2029.404555 510.0764519 2016.329737 2667.17806 2754.757492 339.8870928 185.7116709 139.7738476 136.6892013 254.2689868 1231.814233 41.56492446 74.21280984 114.612418 1656.84297 1497.170208 1352.998741 510.8806178 2692.791464 3150.566726 390.4201941 2456.913524 3591.302653 266.5421414 438.8735214 726.734031 1618.70735 1571.666238 391.8008621 924.7362295 91.44224097 1230.904624 Sarmentosin epoxide 165.9438445 0.203928885 317.5994077 389.6939109 387.0950519 481.7053801 318.1324941 448.7959222 470.7525423 4.07813e-08 4.07813e-08 120.3712101 4.07813e-08 4.07813e-08 104.7160542 64.37860747 4.07813e-08 212.8465837 1914.702087 1435.085546 1304.877573 1185.985126 1390.619754 1300.612014 1382.570186 2670.492197 2571.00443 918.0872906 387.582472 4.07813e-08 253.8666359 147.7014972 403.6432355 408.7352123 185.9258799 138.2034828 879.2691874 1194.182496 1429.932557 1161.925337 1639.659451 1419.882481 1271.926198 2638.29935 1690.545017 723.0854359 829.3981131 1368.680269 1396.765577 1080.485484 564.5453656 991.9427082 557.5240529 1004.663912 2-cis,6-trans,10-trans-Geranylgeranyl diphosphate 1522.236045 1401.577977 2057.376586 2523.061721 2832.27872 1150.1101 1933.095505 3786.881119 3027.829309 188.3451911 110.4736946 130.8302551 96.07211053 26.07827165 452.2742541 0.084473058 755.7160678 1398.328835 4347.293571 3466.879323 3644.430136 4022.908328 3179.905972 3313.392023 2346.917274 3559.424263 1595.259107 229.152119 240.7402674 849.8070336 142.4935975 524.7888117 115.6260388 194.2392653 429.313136 77.43341944 2456.649138 2050.933847 3184.317278 3481.833432 3898.999132 2419.859627 1802.933002 2556.330937 4132.884871 1552.518783 4866.64003 2495.804391 3555.046259 1420.340585 765.2024568 1053.977277 409.7534635 1324.349078 4-(3-Pyridyl)-3-butenoic acid 1212.761351 972.6276544 855.3532708 775.7958076 953.9997868 697.727598 1208.4574 920.3810234 743.5673945 893.4073494 1204.472578 469.7077866 711.0096625 803.816142 549.8500569 612.3384576 1414.732477 1011.121371 952.1051197 1931.303469 1207.982658 1133.784324 2046.532549 1126.986033 1430.073329 772.6218938 1217.377487 362.492823 854.4122368 749.6021837 685.4921566 820.1449347 548.6987524 567.3488048 544.7683864 1117.041962 915.0405049 1145.871445 845.9780895 853.013346 1050.958851 1358.690941 1402.007053 801.1992233 1267.609508 931.5959624 957.0012329 872.3621775 916.1168085 677.7700133 669.3980056 1090.564879 826.4935481 1671.444664 6-Phospho-2-dehydro-D-gluconate 31576.43455 33585.40662 31728.45843 32712.17338 33700.76692 30033.24418 30827.13197 31673.16488 33033.16889 27563.08927 27105.04635 27935.13707 26670.97074 27585.26421 24475.51533 29755.98515 25466.32562 30526.30791 25246.84426 25718.52963 24714.5522 26144.43002 24422.05382 25364.86777 25081.38816 28023.86261 28185.05519 26305.96805 29493.33689 27098.85713 30874.79244 25145.4647 25801.85445 25529.18743 27317.41614 32484.33524 29190.00739 24804.24121 26171.06413 23025.79526 24650.56738 26067.88617 25487.39921 28818.10161 29375.95725 25031.69135 26508.38787 26189.71923 27800.3655 26799.04717 22920.4742 26519.91454 29403.59193 32099.45675 Tanakine 1340.311015 808.5986085 1060.043812 1052.42645 1505.891503 1510.226593 863.8311822 1236.874831 1299.503436 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2486.611951 2005.895966 2152.029901 2109.036025 2560.220437 1798.761926 1766.455497 2601.419078 2401.468619 4.07813e-08 4.07813e-08 50.49115711 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 161.3672458 1558.733237 1728.135981 1753.106328 2079.764796 2041.941162 2401.495286 2249.382992 2287.561873 2930.753382 1937.947535 1584.27789 1599.88003 1153.677356 953.07804 4.07813e-08 1198.346756 4.07813e-08 1778.24111 4-Methylpyrrolo[1,2-a]pyrazine 506.2556294 477.7511618 590.9757747 395.2891112 683.2112184 593.7819799 510.5375086 1208.593467 993.240421 4.07813e-08 4.07813e-08 4.07813e-08 45.28860965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1285.919412 1481.094752 4887.16582 2293.030042 1552.649886 1335.412735 1318.429593 1135.080068 1531.298207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 42.2665008 4.07813e-08 4.07813e-08 4.07813e-08 588.2841551 606.8290632 934.5511821 1642.410111 1381.822654 1593.953964 1149.586937 1109.558538 1483.596925 963.644637 708.3051633 634.5349438 549.7893767 497.3434645 4.07813e-08 677.2781394 4.07813e-08 849.3129205 Miraxanthin-V 2276.502214 1707.244378 1508.984363 916.7191694 917.0115052 2200.285746 2488.102061 4961.672561 4500.457725 820.4735538 334.1138978 246.2711873 451.466738 22.50506384 894.7768148 111.0628738 1239.991663 1806.153928 6818.743179 5974.440892 6340.114826 6073.078982 8547.723372 6625.8318 6606.363401 5083.725976 8152.383007 668.4416138 731.3429058 187.1423646 644.8756895 1517.511168 894.5675299 1143.43149 183.8498417 222.4424334 3641.428592 4365.827032 3420.528686 5242.528814 5703.526998 7796.880085 6407.478856 5297.587325 9177.40692 4792.031894 5321.105084 4430.848244 4533.167983 3186.80187 1780.36242 4606.999041 947.4798856 5893.685985 Copalyl diphosphate 13624.23977 17559.53347 17928.34954 17294.73593 21306.68387 10833.79637 21757.5508 25286.51509 28112.59772 4105.033111 1750.338159 4056.957963 3395.743159 1445.025345 6951.546116 1906.356595 9953.377189 9157.326811 35062.08799 49962.74587 44036.53544 37329.30699 45838.52201 32999.973 40902.56598 32079.51874 29983.18426 2781.222212 2879.919838 6822.04311 3605.476273 3900.602159 4300.233208 3089.608278 1811.649885 3539.659841 18138.09545 29984.9221 29112.99501 40857.08959 43906.98571 43745.34922 30791.06108 27240.76782 48110.33705 34705.11959 33156.86326 30832.76905 27172.00775 19718.00586 18483.34188 25563.02747 2837.265372 20855.77583 4,8-Dihydroxyquinoline 501.9747356 320.2437225 206.7634459 174.5625779 256.9054844 251.0120779 572.4956282 225.409067 352.1396746 39.48787593 47.12559019 4.07813e-08 33.7738661 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 468.0298093 878.9312051 451.9416096 704.9484414 1069.396263 430.8450711 725.7425443 646.3614803 383.5875413 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38.43820831 442.973557 627.8338513 293.6345329 540.8373757 747.8175394 1094.797513 420.9956404 422.036326 1496.190883 113.5234678 373.137018 253.3810485 540.7417834 428.4908654 4.07813e-08 230.2163629 4.07813e-08 554.6392592 Lophirone J 1179.686319 4774.987182 1648.537109 1737.764527 5574.889495 399.8595726 523.1135281 3309.955042 7517.472425 7709.452643 4.07813e-08 16318.75736 8731.106131 21085.09212 3648.895198 6203.567267 599.4777047 49599.42805 151.3040363 156.7954822 24.10659366 4.07813e-08 4.07813e-08 242.9568166 96.72308858 4.07813e-08 4.07813e-08 189.977087 16836.32544 777.9260162 7995.174943 371.3407707 4.07813e-08 4975.413566 78.22759735 17231.6252 4.07813e-08 4.07813e-08 48.12603597 28.17935604 13.14249432 53.73081098 4.07813e-08 19.73786867 193.5496484 4.07813e-08 1355.397406 158.155107 3946.805876 1378.306055 2970.803998 2735.509871 525.5225262 511.8300967 (E)-Casimiroedine 2340.062256 1516.983499 987.3721274 2157.942764 489.2376956 1582.718895 2340.967552 2078.215984 1295.242641 311.735474 667.5474922 178.6714736 593.0655343 4.07813e-08 312.4776767 4.07813e-08 400.4630058 82.67659728 1391.541595 1701.988593 763.1736888 8871.475793 1329.751296 2240.501201 2767.699637 1053.986414 1293.624659 408.4310597 331.9017666 454.8798255 4.07813e-08 480.372518 336.3878061 592.2318976 326.8428176 4.07813e-08 30515.44576 143.0926999 891.0332891 1101.300684 1158.758618 1164.423082 1483.657611 798.923193 1551.457229 4.07813e-08 1875.963732 763.2537416 2541.638419 3782.701794 675.3463493 1219.014889 1195.226617 129.2131512 Thaumatin b, recombinant 20429.75965 17082.79998 14372.29476 21615.93772 21662.02712 36061.90215 19761.24106 31196.1891 17994.30071 96.18380893 204.1425143 60.73778715 88.94708454 4.07813e-08 184.5790754 240.7492704 8.86811491 7.318574451 8439.719474 9370.247041 5953.153035 6688.119474 4532.396148 8381.27534 9403.481605 16097.69425 7106.772549 14.61770346 20.06234872 50.25553891 4.07813e-08 71.36850122 97.70205532 4.07813e-08 4.07813e-08 4.07813e-08 9758.842772 8567.103892 7218.447017 8851.881912 10837.48303 9405.637957 9090.545129 11322.61535 6049.119191 14477.96333 4958.328088 14695.45092 14438.13986 12006.30323 55.57870159 12900.40572 493.1728399 19248.02793 Arabsin 5004.94273 5223.965242 6692.421652 5930.151033 7927.272537 7551.447841 7278.845705 4333.517948 5659.949173 682.0782369 860.1036358 124.8499071 1812.897128 4.07813e-08 417.8716601 4.07813e-08 257.1229693 1225.318086 13980.05459 14324.55496 16049.24289 13405.46332 19366.69078 14115.59547 14860.94186 9565.37931 11373.79234 4.07813e-08 963.4204401 1028.124995 927.6019774 477.7037033 460.1246896 669.5639498 94.23365786 1146.300904 7568.611459 11859.05783 9765.028305 10820.64137 16236.33989 15804.92453 12525.47711 8412.808416 11610.49847 13558.93215 10057.5801 13492.03718 8703.625185 7873.941082 1923.483106 11195.39776 1208.166739 6734.82641 3',4',5'-Trimethoxycinnamyl alcohol acetate 399.5512068 402.6081125 358.5709161 428.1709663 671.0355404 620.1384645 909.03462 202.2364172 195.9538854 145.0869589 4.07813e-08 4.07813e-08 54.2282066 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1891.550078 2851.646948 2537.806036 1913.176846 2935.735345 2784.8876 2163.734396 1018.094757 1604.246987 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1038.915065 1623.799571 1423.750747 1607.650757 2067.258776 2895.532129 2733.96299 1224.919341 1967.11917 2211.642227 1306.068002 2264.087081 514.4833776 978.1694626 4.07813e-08 1494.990557 4.07813e-08 712.9230423 alpha-methylphenylalanine 232.5023865 4.07813e-08 258.4541465 425.9697919 369.3732391 244.0852642 216.1958346 111.5727089 176.2727528 4.07813e-08 4.07813e-08 47.26897399 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1053.78548 873.6367559 729.2900726 807.4634396 1219.535997 1176.433646 486.5527263 818.9160955 783.490919 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 188.4179484 771.6901264 632.7224211 1002.958537 976.389554 944.4202745 1115.580128 955.5235943 1089.278638 509.0427144 507.6136231 669.6240366 740.807189 302.4058386 4.07813e-08 446.2887493 4.07813e-08 724.1005958 methyl 10,13-dihydroxy-9-oxo-11-octadecenoate 12102.03133 9325.63504 12272.12963 15941.04989 18288.70291 15091.973 12889.05055 11359.81906 9577.640971 1232.243056 1075.283066 1168.839427 831.0345498 1261.744316 836.4756381 279.9998679 4.07813e-08 1544.702368 21397.13936 20584.7269 18132.35348 20333.69846 25407.63173 22393.11958 20225.55246 21774.27147 21793.68802 164.0437156 946.7713512 2351.784005 278.4261463 1701.299375 1179.873377 825.6069459 160.9049053 1426.660215 12418.19183 16723.71662 15070.84084 17313.52527 21219.96138 24206.60466 20500.56316 20624.66976 29907.16647 17498.62554 14179.18682 17592.09926 11944.27954 11755.82863 3033.464321 13965.70582 808.205377 14160.20176 3-Dehydro-L-gulonate 6-phosphate 8508.032122 8037.820975 8001.099972 8074.12305 9536.906215 8151.588555 7786.411355 7476.12551 6682.317243 5599.953181 4302.121457 5184.821464 6040.053582 4325.700049 3336.982759 4417.513175 1977.892148 6330.562227 6883.287937 7015.317281 6234.972837 6553.986102 6760.934412 6463.653929 6201.626281 6733.998877 7076.365533 2098.107726 5256.133704 4735.487743 7363.020824 5701.459109 5546.83719 5175.519948 3518.621946 6729.988983 7702.163454 5353.393274 6406.386566 6117.312094 6369.785165 7204.661458 7143.949898 7127.077654 7262.392059 7458.385094 6119.243164 6430.024051 6757.161628 6450.355264 3891.356937 6545.501721 6715.680392 8628.386461 F-Amidine 9314.430291 8897.3922 8802.795872 2142.749098 2020.214955 8847.450126 7954.790328 10854.8795 9829.031686 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 163.4560311 2995.23038 2302.288382 10792.10966 4850.488867 5526.364117 3985.259335 8291.158929 3514.02572 4415.881525 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78.87067706 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8534.228346 3087.091327 7808.072831 4788.393003 5319.476018 6886.373344 5314.694699 3890.713535 2136.738417 5571.461421 5146.748861 9260.375924 15740.00012 8378.474024 11476.7635 4492.250546 4.07813e-08 4894.088348 CAY10625 39.36685226 67.62593134 0.000134717 34.31671757 0.143085513 2.994864966 64.81734293 4.108304316 64.80784597 0.10976269 1.403172674 4.07813e-08 3.127632222 4.07813e-08 2208.043515 192.9898923 541.7535497 0.001890941 50.5137901 357.0363687 141.6429345 171.8528714 5.789603919 303.2537022 124.285029 344.2343593 147.0550224 34.23983843 4.07813e-08 5356.223358 3090.758782 59701.52942 7671.477188 8283.029425 990.7084241 2298.396434 28.68163618 128.9569025 4.07813e-08 227.0016388 262.5204471 294.5782057 57.24429842 0.871391011 393.8471694 66.06602109 58.90336502 72.6449124 8755.366787 4.07813e-08 2534.373521 151.5422869 418.7512631 323.072608 cis-3-Hexenyl cis-3-hexenoate 1274.418625 528.9038658 772.6374547 1191.720589 681.1174202 1582.428212 1167.770271 443.0566438 526.0387902 127.1657475 199.3347348 345.3002313 248.6971857 250.069604 216.581034 494.1175264 4.07813e-08 165.3962216 1377.88953 740.8610304 622.9610521 798.1678549 907.0821393 1470.696469 470.6496728 478.199468 560.0675677 185.6772171 358.4839683 148.792643 243.3988471 369.4039132 4.07813e-08 322.3179912 69.71482819 321.3417176 1001.670958 686.0526866 585.1175153 523.8497454 453.3747343 790.2682539 884.208327 367.3973193 398.8073208 972.6266318 908.9668106 742.3272621 654.3869357 700.1993565 4.07813e-08 799.8259541 64.78089776 700.8637469 CARBETAPENTANE 1704.034992 4140.709887 1223.043765 1395.851854 1023.734573 925.6500554 1400.543893 151.6731889 393.8679988 3189.013669 2588.439556 2618.188547 3541.21995 2560.657015 1634.132646 1001.723708 756.9288824 407.4454588 4.07813e-08 4.07813e-08 656.506414 102.0265502 4.07813e-08 4.07813e-08 1305.290878 1932.002204 38.4672367 2928.746451 3292.720898 1571.923023 2311.670301 3213.643467 2672.902554 4917.879553 1305.49013 1632.220728 6268.660513 271.0366674 1380.831287 119.1656429 4.07813e-08 1285.852216 4.07813e-08 1094.17048 662.1266317 4.07813e-08 119.8296811 778.7969604 1628.087749 2628.255764 4209.355216 819.9164629 2695.65563 656.3128051 Torasemide 15606.82303 9449.487243 21697.49378 30609.35615 23707.60765 24763.92089 24085.93616 5547.342912 9678.533572 6317.98933 1232.752208 5724.935547 7121.258327 11737.01672 3705.955834 5539.419996 3318.757966 1267.333806 47946.60766 47603.93158 36557.63024 56151.94777 54523.40166 33111.63817 40159.75023 12507.75114 16545.49279 7058.21811 3983.454621 3383.699937 3951.138474 4591.190062 6372.631793 9499.894181 4281.299109 8006.893521 43237.1402 34461.9346 33966.09985 41168.69648 63011.15096 56471.55071 31662.03268 10686.16374 35789.80741 54525.58592 31051.76149 43941.83836 45825.77817 32413.8867 25973.2389 47067.36459 5375.051889 34921.50811 Isohumulone A 21760.40239 13221.28308 14704.39256 12991.78927 13509.85604 16992.83153 22289.94985 12804.86834 14298.27516 4804.527643 3932.508892 1381.770393 5535.517597 1019.991301 3692.214294 4.07813e-08 822.4859638 2397.787471 44676.89009 39519.68427 34329.1236 39590.70855 48062.75017 38215.64213 35529.13334 35137.37967 35804.81774 1993.260253 2618.942241 1760.246261 3375.265625 6596.502872 2554.306864 4110.544808 96.1692942 1855.511987 24218.23248 33336.18899 30164.75065 31874.16861 44907.42172 43457.04525 35916.34131 30804.2072 42794.01825 36841.38104 23830.32359 32276.47738 22738.12345 20033.00765 6805.67152 29683.95969 3778.918322 24322.35088 Nordihydrocapsiate 10405.50697 7591.172849 8521.575576 10984.38117 9125.342883 9845.338181 13488.63564 5036.738962 8235.6063 615.0124811 194.6741968 497.1393929 1091.766204 506.1522165 391.7254909 4.07813e-08 117.9282014 453.4065927 18338.51525 18941.50075 16338.39017 19437.88222 24666.84417 17385.37895 19911.64172 11011.98146 13391.35828 102.1172705 887.8845811 882.4383752 100.9667631 557.8454688 561.2865277 295.6719994 116.667395 504.9827699 11884.75434 16947.69943 14620.56134 13255.25341 20424.87267 22218.60626 16547.56069 11927.42723 16115.6706 16044.81429 12768.51555 19864.19481 9618.088587 8637.096616 1014.816999 14323.45215 621.5338111 9347.554381 14-hydroxy-12Z-tetradecenoic acid 1006.899532 833.1740329 1099.274317 2103.479492 1259.00146 2025.304022 2278.919994 465.2058805 187.2155656 4.07813e-08 69.03241341 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1888.424061 2451.575345 1763.238088 2558.922287 3929.851962 2603.935508 3071.313017 882.2865641 1431.65681 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 708.3657737 2684.60339 1562.135639 2058.618162 2705.642427 2909.021747 2600.587552 666.9301184 1682.128646 2436.379737 1209.404605 2325.47494 474.5485735 811.9214639 4.07813e-08 1567.242815 4.07813e-08 948.4669279 (-)-Myrtenyl isovalerate 2500.078878 346.8667528 1064.469541 991.3023746 1192.753054 3263.190295 2258.739923 88.9731647 1009.557135 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 207.2472006 2601.707115 1422.82198 1499.392089 2153.533154 1859.19429 3547.375501 2045.333092 110.2724162 692.6407852 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1689.320065 2090.801253 1820.535633 975.5070541 1407.910379 2254.461648 2903.856691 382.5137311 546.6732438 1512.317382 2464.924462 2804.202477 1023.437417 911.0338665 4.07813e-08 2639.584227 4.07813e-08 1976.997944 4-Phenyl-2-butyl acetate 1131.129187 1369.825976 1069.810549 1410.457114 716.9871725 564.9650159 1987.556415 290.2745139 763.2924912 4.07813e-08 58.15227061 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1779.004496 2251.064134 1578.588958 2114.444656 1428.832821 1772.439189 2772.005012 1334.35616 605.4672559 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 49.48697446 4.07813e-08 4.07813e-08 4.07813e-08 922.2946265 1778.661588 2006.003107 777.8983765 1607.165207 2750.155709 2018.59521 1035.492561 1119.925258 1323.72504 1268.651616 1612.867376 1210.046209 708.4202056 4.07813e-08 2004.365779 111.8877404 694.6287608 6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine 995.6257458 66.03809722 686.6359438 450.3296414 324.0739732 1242.713083 810.08383 2543.892068 2308.128712 85.84862021 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 151.3822472 2272.783962 2159.49628 4708.602183 3521.772466 2129.207607 2290.030314 1811.775497 218.8777459 559.5195685 4.07813e-08 4.07813e-08 4.07813e-08 106.1653759 4.07813e-08 4.07813e-08 64.27637232 4.07813e-08 257.1772989 1641.951625 1006.15264 819.9011758 1879.958397 2296.276085 2145.945225 1917.46769 732.0274088 92.87272032 872.417066 1060.971824 1453.053466 964.9687533 596.187829 4.07813e-08 1231.196441 4.07813e-08 1143.988241 Lyciumoside I 21363.927 11765.48903 17437.85114 19149.03773 22898.66237 24165.63975 22374.8164 23779.57446 8040.183301 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15851.85781 4.07813e-08 17608.83872 22436.42761 14683.48316 18499.48595 16202.97548 24125.2743 11445.15629 17085.51117 12760.58397 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1035.270709 4.07813e-08 9936.057357 23751.21426 13758.17193 17555.11653 27605.71632 17350.54027 24176.38335 18998.80388 15040.71226 43976.55841 13518.75197 14202.44007 12072.40816 6469.685339 4.07813e-08 9744.450222 553.8340236 26699.07957 Octahydro-6-isopropyl-2(1H)-naphthalenone 653.6793026 314.4701763 631.9924965 451.9683974 794.4080697 620.1826096 476.5813589 392.4343776 371.0982645 4.07813e-08 4.07813e-08 4.07813e-08 75.32213091 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 189.0902955 1247.220621 832.1284859 1207.724121 1255.012397 1720.2966 1424.820006 1410.080669 786.0299601 1324.419954 43.08322648 4.07813e-08 59.41827915 4.07813e-08 50.66772575 4.07813e-08 4.07813e-08 4.07813e-08 149.2390252 812.9995116 904.9094309 1185.064825 1214.672729 1416.145366 1694.743916 1508.634013 649.6749869 552.3810407 1214.928503 647.6705709 983.8551922 898.0591571 821.8153771 4.07813e-08 873.6917296 4.07813e-08 610.7003277 Aniflorine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5451.019651 7240.802519 10221.51537 541.5164579 37441.95031 1023.62676 10255.41045 2047.639734 6011.209565 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 498.7213299 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1071.35277 4.07813e-08 4.07813e-08 4.07813e-08 Carboxyltolmetin-3-glucuronide 1642.118015 2917.47442 1934.171025 3062.495694 2901.205952 1976.620203 3564.866877 1944.132619 1889.275032 1774.657173 1888.386077 1687.414649 1949.770045 2306.153581 1338.062744 2497.67522 1545.209518 2584.710446 2343.249134 1185.831278 2132.190346 1694.876075 2133.647694 1322.400762 2199.256969 3479.942726 1925.532977 1690.773225 1683.15275 1057.927763 2225.328474 1642.345216 1959.897864 1750.61239 2381.715192 1469.186644 2874.7598 1586.734809 1703.665112 1387.257824 2260.32057 1291.426406 1640.926861 1898.417888 1885.473804 2640.8352 2216.181516 1637.61388 1847.832125 1811.50803 2167.376718 2423.830131 1969.669088 1214.068783 LARIXOL ACETATE 4452.926144 1747.174503 3017.364928 3499.830511 11411.29047 1089.806732 1258.246184 7049.28921 6490.578759 2346.715629 1075.603773 7663.218193 2154.171919 17977.60642 11553.00684 7736.570977 2909.382913 29812.08685 1370.110479 7499.415174 3445.30533 2929.95177 890.2404856 280.3514196 1890.176763 8539.590704 4.07813e-08 2933.873323 1332.251848 157.0815068 349.4750651 1363.465938 1644.202637 1072.371105 904.7791768 2342.559211 1696.376646 1675.706194 874.3769901 4263.759575 3505.877432 1505.209949 243.3180876 5641.245854 134.6727325 4657.030418 5355.025651 1453.585026 4143.154626 1929.713313 4585.392958 3812.120081 175.6999335 725.8661253 Ethyl menthane carboxamide 694.326711 512.5344992 633.7124532 708.6474203 922.6366764 866.7338557 659.5832073 663.8722886 895.8493544 788.5485524 464.5352267 891.4619059 776.8521913 733.5719018 533.9275825 922.2674444 4.07813e-08 941.150129 626.0069409 628.512857 339.9590995 691.3456613 619.4675669 725.3140195 739.4162802 562.3428321 586.9629655 277.3493694 699.5983219 595.6531519 775.4278948 463.6578565 612.7474165 397.5910644 2143.945691 710.9154027 556.4634099 532.0019182 500.2756901 454.6605011 781.9500592 692.2497926 718.1550965 669.0513232 818.59122 296.4606635 395.5878026 657.9716792 528.0324024 714.3732331 448.8640858 967.0614337 641.468999 905.051993 3,4-Dimethylpyrrolo[1,2-a]pyrazine 4.07813e-08 208.887581 671.5378779 774.0601314 4.07813e-08 802.5697578 833.9795819 75.31564545 479.7743953 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 266.843505 1569.033204 228.9385642 813.8799133 1036.453081 1286.221365 680.2982306 188.9046994 303.429177 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1392.719241 368.5525201 4.07813e-08 1200.249236 190.481173 813.1403189 113.0408269 219.2049875 859.4484293 816.9036585 1257.848335 89.05765608 4.07813e-08 4.07813e-08 668.4462197 4.07813e-08 92.29001003 PC(O-12:0/O-1:0) 477.2441617 4.07813e-08 818.4522678 1885.854579 1076.040592 3133.08125 2305.990066 4309.054898 6544.384155 4.07813e-08 4.07813e-08 152.9960208 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9098.869516 16405.00446 2561.054265 3416.880242 2380.78082 6892.186822 1565.782059 748.7502093 8.338385294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 170.7921353 2408.564078 3709.264612 909.8094048 1300.507679 3007.931379 2043.860149 6879.372943 4.07813e-08 456.7965229 3120.97068 1068.606122 1994.970867 2767.166437 983.1415399 4.07813e-08 3547.095174 4.07813e-08 3371.518333 Acetal R 3517.817075 2897.231783 3404.380341 2984.894131 3263.16938 3611.680118 3544.101266 2950.598984 3045.303359 2486.842361 2305.129105 2394.434305 2198.218352 2958.533415 2502.260743 2579.97715 1763.441815 2409.619153 2451.94381 2810.24917 2135.157805 2895.79541 2753.339019 2739.166421 2675.473375 2862.583497 2688.107846 1943.000157 2525.177433 2175.997783 2201.84265 2248.41522 1796.274219 1821.242518 2433.187781 3073.719319 2745.593867 2745.601167 2476.551097 1944.199989 2368.014773 2329.427411 2694.049933 2508.752882 3000.801192 3052.600485 2608.613957 2754.855523 2300.440415 2372.854344 1734.67557 2553.21468 1723.33631 3529.420859 Nerolidyl acetate 3207.122724 3472.960676 3337.099618 3502.792649 3293.068942 3073.718478 2909.291282 2461.605319 1123.760674 1807.802641 1251.234636 970.0415019 1679.458733 1535.342362 2178.623716 6488.045772 6473.889424 845.6032789 2028.069189 2326.79034 2021.765606 2885.560557 2475.448739 2415.450489 1782.77252 2462.981468 1253.48385 2482.507558 694.3719096 743.4210066 1043.458055 434.3792879 806.464641 1673.942096 4553.98834 919.9143906 3088.630938 2160.76223 1710.149809 1553.379673 2722.98835 1968.878692 1993.612764 2056.482415 2190.458787 359.9953377 554.3481258 1390.951697 654.3772915 1298.451084 266.7154066 1013.230596 1157.814721 1416.537348 Dihomohyodeoxycholic acid 1880.953449 7743.266296 7227.83538 13467.7148 5564.946733 7493.753435 16312.56484 4311.112645 8323.710602 1254.493624 4.07813e-08 29247.27016 1168.261279 15399.04959 35570.44121 25444.81948 82927.48771 63867.43844 4791.85499 5631.451666 8360.276156 12065.53395 12213.56349 9462.36926 14176.37147 15146.5528 9617.213868 5466.625131 4.07813e-08 8592.724138 3599.07913 1539.931523 5151.552666 5066.148841 19291.87627 4135.229052 5395.536677 8238.531163 9011.964786 14556.0205 18124.23065 7853.176159 9081.870494 6823.208796 14604.35144 34345.23762 6767.703414 24936.86082 7802.466682 5597.045745 3095.854885 20923.72334 0.001339831 6152.381285 Liquid thiophthene 13503.03014 16899.73964 20299.96094 17000.66387 25229.91719 20482.47911 18230.27609 11292.94769 15679.56883 17784.71851 14039.4585 14053.78 14715.53717 18706.49731 12595.57301 8780.878073 14000.53794 19064.20199 13775.1681 14627.66581 14107.20587 14212.47777 14365.14133 14789.15203 13872.26998 16804.93136 16729.82923 13071.07581 13276.67408 14921.63801 16613.23438 11510.46634 14125.62177 13231.78951 13296.51956 19995.49015 11218.86462 9953.971189 13133.71535 14322.43204 12003.71334 16860.33652 16773.35726 15988.28127 16863.16726 16542.03178 15411.02209 13013.32306 11853.9535 13563.87437 9334.28926 13870.5369 20103.4697 19264.00668 Pymetrozine 1258.491967 1031.249468 1310.547381 1403.41254 1301.792587 887.3461019 567.7693419 1485.718958 1441.316837 198.8165293 404.2636856 4.07813e-08 652.237154 848.2057821 124.0585601 4.07813e-08 314.749469 1118.09709 3046.074038 2665.954573 2534.579137 1393.505122 2734.639108 2273.324319 2841.834308 3786.711964 2796.394455 406.9013709 960.2606571 605.152894 720.6866985 1000.483713 1242.844483 1263.551887 424.0367432 278.8177101 1767.799199 1450.008936 1756.816925 1998.398623 2116.619682 2262.91232 2404.144303 3152.374918 2416.289724 1492.62398 882.4563301 1234.469943 1306.582249 1729.06638 1835.719872 1694.775884 4.07813e-08 820.7202079 Glutaminylhistidine 1439.223891 10748.03568 736.5891287 856.9185568 58.34371405 1077.423872 4671.430593 1018.801119 1501.747395 43454.77924 36065.81361 11355.09817 47535.14702 4527.892668 17948.50573 4262.791519 2685.626888 14970.09541 2173.98118 2572.838531 4124.644523 3624.93785 3874.446779 3939.517582 1878.903789 4541.099286 3340.42636 20667.26884 24740.18552 5987.471991 17809.46511 33876.22054 23004.33872 24755.59086 3025.49232 9650.805167 3964.148371 1880.088263 1337.071237 2498.302828 2558.518036 4658.103708 4337.268773 6053.141941 4492.838987 1682.180043 1195.071787 1854.267824 2370.248994 5003.824447 25462.91655 3021.598326 24413.89668 2900.054185 URB937 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14.70478731 713.885832 4.07813e-08 3282.759456 2537.945842 1340.964967 6201.105586 4194.377024 31466.23397 5460.094329 261.7291079 85.15280025 19.04706587 364.1730578 240.3269266 295.055397 276.8607823 23.30731702 57.3186393 18757.55882 5163.946949 855.2464125 5696.312343 4.07813e-08 1076.26168 9264.732058 6805.077215 43155.64471 1913.92979 25.00192954 4.07813e-08 40.17181579 26.39071559 127.9251672 31.29740257 831.195028 154.4853483 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 897.6804774 3185.325511 4.07813e-08 1720.316624 4.07813e-08 4-(sulfooxy)butanoic acid 45596.36785 40211.45538 50837.66523 50263.32302 47483.70913 57546.52699 46465.1177 51718.82474 43185.01759 50943.58188 90647.18061 68030.7327 56820.78897 41594.1179 10332.74721 41891.14129 23809.46062 31965.393 41717.06046 64481.93685 38923.70774 42194.47005 43935.05602 31843.65289 48204.4633 30296.56493 45246.75147 11737.3633 39216.90646 36478.25377 21865.58187 28401.95657 15437.50864 19053.57489 15850.80933 30069.66884 37695.09842 46396.77274 28771.80415 36268.44368 41962.2902 41890.7334 27821.6251 25534.32811 45430.40829 39474.19771 40570.50971 50212.77766 46046.64244 52101.66502 30666.61443 61090.92284 22314.04032 59915.52804 6-(2-carboxy-2-methylethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 10523.9865 38870.11171 10110.06719 17091.67786 21714.05349 14692.99235 25809.67572 24898.77037 14439.22981 29112.91183 25651.90855 19889.42819 27742.74496 17754.93737 12084.29935 15212.1856 7269.88397 14203.0362 1195.00375 93.80879943 2892.720702 4005.393367 8382.204425 4868.117659 1831.895542 6503.738323 6033.416429 11504.66161 19626.13015 24195.58329 15047.86882 23669.51075 25489.16875 16361.82375 6143.731156 21690.85329 13593.90662 859.7910591 3792.921966 4856.419682 3913.208463 5996.646745 725.8382169 6246.556403 3387.999721 2661.307439 7125.035928 7198.53009 12541.22385 24057.62884 23656.9629 13879.9986 22725.08731 8513.150493 3-Sulfinylpyruvic acid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 161.7646803 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 881.4964663 3085.082017 3153.674743 2460.826118 1595.301769 721.8005868 2192.267264 1548.707394 669.0241608 4.07813e-08 903.13676 4.07813e-08 4.07813e-08 673.8262497 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 901.4834154 1669.647493 3077.696011 4.07813e-08 1629.8193 1821.78097 2445.914655 2611.329858 858.9808934 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 264.5457346 4.07813e-08 4.07813e-08 4.07813e-08 104.9206668 101.9708443 373.1450861 148.3667663 658.3284932 1652.757054 663.0482338 718.8282677 168.5781207 DL-Methionine sulfoxide 4554.941247 2080.458984 2987.157271 3055.688804 2873.675436 3743.601563 2710.521882 2630.435839 3175.280227 2699.452148 1852.983511 219.3016177 2519.241914 693.7483644 1306.538136 119.5799597 790.2297725 1207.627648 7549.530866 5504.949616 7985.468384 7560.760627 6977.462168 6906.377935 6540.915038 9114.89572 8688.190881 1874.389174 2692.792442 662.9024308 686.8225747 2105.509133 1390.795077 2431.700875 610.0144219 895.5593794 4902.482666 6901.243372 4285.087529 7319.270338 8107.102008 8607.131711 6958.334168 8535.976871 11784.87245 4465.00741 4081.480143 4006.861224 4576.829977 3886.961105 3149.478571 3325.431766 1142.663562 3429.865069 Histidinyl-Glutamate 18758.88757 11834.40829 20064.97608 23319.01805 16457.92655 13947.91478 13426.92704 11852.40028 13289.95971 4.07813e-08 350.117544 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 551.5789042 21963.46902 13025.90347 21508.10436 24889.59315 32961.45268 29757.81403 25405.19498 22421.5537 23552.0471 4.07813e-08 4.07813e-08 85.6927211 4.07813e-08 4.07813e-08 4.07813e-08 234.81389 4.07813e-08 4.07813e-08 22909.47034 23729.78944 21208.41919 27076.57945 24264.18981 24877.95177 28682.81021 25646.73816 22170.66554 12667.75591 8754.224429 15177.57276 15626.57515 9392.560759 4.07813e-08 13705.97362 4.07813e-08 15014.4906 Norophthalmic acid 9184.898984 5409.966922 9142.228698 12862.71309 12046.08641 9251.452974 9752.452211 3934.764839 4610.191092 5093.870827 20757.36294 3747.132531 4457.912986 4806.850015 4191.846376 17082.11011 2545.24201 3291.787823 13344.96958 10102.941 10959.55422 10703.82955 15546.73473 14714.95341 12726.41416 17245.71675 15735.51581 4414.175939 4842.179294 4669.86577 3952.020693 4759.494991 4192.279851 2939.924133 2719.352457 4282.354281 9934.548299 10939.79654 9807.480327 11311.86017 11667.32265 12476.13502 16867.40177 15748.57141 21882.04224 11701.95029 12093.30091 10823.79953 8553.698445 7725.413759 4910.427172 8972.693062 5289.547154 12866.19875 Thymidine 3',5'-cyclic monophosphate 4.07813e-08 153.7023894 26.51267588 284.3505534 4.07813e-08 4.07813e-08 112.8815609 428.8144544 4.07813e-08 1424.372106 2238.231255 3358.931741 1341.844121 1523.89178 2584.940608 3572.95563 17320.43452 1665.248954 4.07813e-08 4.07813e-08 122.3710963 88.954056 716.2850069 4.07813e-08 175.1052023 4.07813e-08 4.07813e-08 5609.1935 2550.856949 1472.889023 561.6984233 3349.715143 1195.563704 4.07813e-08 10284.18177 1745.659347 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1325.497963 304.834586 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 166.6010455 4.07813e-08 4.07813e-08 283.8981452 618.5529295 4.07813e-08 1858.808563 4.07813e-08 Deoxyuridine monophosphate (dUMP) 4.07813e-08 4.07813e-08 4.07813e-08 52.34147031 81.12891192 1.019714771 1.339050169 1.033343539 0.009866623 1529.84314 881.191488 798.4771776 2272.352974 4.07813e-08 69.17207107 1737.117087 785.9807847 4.07813e-08 0.574759905 1.639651317 1.870626931 0.372949826 0.387342795 0.017317499 0.210380573 4.07813e-08 0.000249592 3292.97113 1440.218801 894.3200302 2084.981388 516.9628644 4556.504305 401.8318293 3168.692101 1092.095389 0.004146288 1.168328081 0.7799861 0.017837221 4.07813e-08 0.294330858 0.328388604 635.3428693 4.07813e-08 0.002862625 0.652332046 0.369486152 0.01947109 255.3732931 1522.062798 4.07813e-08 1368.799358 4.07813e-08 2-Mercapto-2-methyl-1-pentanol 7424.818678 11863.65807 4312.929985 6578.430721 1520.755878 5818.446062 7365.716361 8755.663474 9607.812745 1824.21959 1912.922805 2025.169888 2306.27643 1033.213278 2142.371058 2180.216469 1608.484928 1903.1197 799.6971884 1502.299193 2391.36822 323.092135 166.5847109 382.1676776 653.0412063 1752.227319 1358.857543 1152.226162 1721.651017 516.7659947 1790.13509 756.8946561 1972.117316 963.7953234 2144.061301 1314.434828 1913.363847 2465.523448 3178.243093 1963.016846 409.9343165 396.6403913 550.6491081 1503.297054 1116.654535 1028.655428 5398.907501 2658.57233 4666.100734 13455.77885 811.8058773 1746.235729 3537.782819 2455.435576 Methyl 4Z-octenoate 3887.589173 3602.79883 4026.367131 3976.194557 3891.034171 3249.818323 3687.972414 3564.803151 3632.88913 2497.549567 2883.068832 3248.911003 3143.112467 3706.728294 2584.456398 3632.139638 2457.213438 3132.881276 2710.333814 2838.250614 2686.27093 2750.436998 2358.203362 2731.991295 2799.164213 3362.44257 2549.15536 2820.578298 3174.70964 2876.406654 3159.191818 2297.354338 2708.242804 2284.172144 3177.20423 3606.822674 3498.023988 3251.00356 2919.189039 2456.233973 2658.225299 2441.01659 2775.00698 3159.573199 2809.664812 3681.154179 3493.119493 2956.974647 2851.082168 2492.554057 1962.04956 2582.753824 3227.013604 3523.069807 Oxamyl 296.7807185 372.6231638 368.0099446 173.1027859 238.09833 263.7508115 206.5312684 184.1055981 343.7225806 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 800.6978224 731.5017069 740.814737 754.657572 659.4424181 797.6185029 745.7546631 563.8473603 615.2500655 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 485.7276717 739.4104952 604.2397561 358.1449692 870.8177118 583.7398807 915.7722421 387.4477578 1453.869699 289.9425737 261.9814117 444.1005568 412.9100263 173.5470053 4.07813e-08 400.9446656 4.07813e-08 359.1528522 carbenicillin 13106.70921 6830.220436 14312.82053 9564.714158 24440.80169 6296.455016 6158.457715 11802.00009 18241.4463 462.0324283 37.98255452 515.7177927 764.9999564 204.7209282 94.53891776 401.2353819 92.69953975 1635.014822 9153.908317 10655.12458 8340.807441 4486.5822 6132.186283 8198.29575 7198.32744 7403.787063 10249.25007 874.379292 283.7647467 37.65066059 290.193737 145.9546129 205.1317628 1224.634652 585.0768036 195.9314712 2881.083722 8469.311092 5344.169696 11646.12396 11363.74843 8025.18767 12983.60359 9838.936704 3947.37629 19410.22253 6385.618964 11264.21623 8812.827452 5896.649444 699.3300817 12008.95612 817.2600396 12313.17522 Thyrotropin releasing hormone 296.1596921 291.7088526 4.07813e-08 293.5131977 191.0062483 219.2954822 210.1830481 1613.267102 304.6395959 4049.052228 2957.219908 2511.406191 3872.268684 2212.14711 4758.469084 1545.964542 1362.438686 4250.97628 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 115.3920072 4.07813e-08 4.07813e-08 6008.899137 4006.625118 2786.560878 2688.749238 5280.243135 4081.039872 6525.974187 1566.95445 2583.960814 220.5458853 4.07813e-08 107.9879477 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 133.1988602 179.4228327 1180.281598 4616.844299 7297.194158 306.695429 5545.804387 147.5675765 Prosulfuron 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2412.809674 4.07813e-08 4.07813e-08 4.07813e-08 241.9408284 12336.95788 32450.89158 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5272.419158 100.0405918 10173.45508 4.07813e-08 4335.270001 5961.199993 1069.256129 20268.66435 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2111.017969 4.07813e-08 5174.38096 4.07813e-08 Aconine 189.9060066 6237.153696 4.07813e-08 4.07813e-08 4.07813e-08 275.0782139 4.07813e-08 4.07813e-08 885.9333404 13275.57206 21463.71562 49797.75825 28486.4704 57722.47079 1982.710402 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9469.020267 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11490.61154 4.07813e-08 4.07813e-08 1058.385063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 16319.08255 1073.676496 5978.964886 33749.69096 10014.82561 2119.344334 71269.00052 4326.869328 Pyrene 4.07813e-08 333.0409419 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12563.0655 9548.530826 8114.592014 12661.72027 4291.161047 9834.402721 5680.892572 2861.905213 9335.083383 4.07813e-08 4.07813e-08 163.4595189 4.07813e-08 14.83624653 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10114.44784 8849.323656 8067.584867 5643.519934 8988.747352 7668.533204 12039.40088 3796.36856 9209.849091 164.5728098 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.07781838 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 371.4890305 11103.09178 199.173102 13633.29661 4.07813e-08 Avenalumin II 2693.199711 2149.392782 1909.276975 1672.429109 860.0223804 2101.11486 2159.231299 2386.359846 2560.548032 1448.477029 1030.427349 357.9245498 1239.118948 445.0253451 583.4736215 165.9817199 123.7315124 897.2282258 5220.215482 6616.134542 3758.821253 3775.270619 4445.97682 4152.19686 4303.875939 3112.890564 3719.746358 1051.644166 1654.338211 411.778078 788.9030466 2038.343232 1164.022017 1907.192112 371.3414568 567.2946497 4151.722892 5424.451928 3244.725502 3992.723638 4800.549628 4112.078861 3787.153044 2736.73018 8549.638654 5015.020508 4186.083288 3952.542049 3001.690958 3290.518096 2601.867551 3762.829168 1322.536499 3825.91913 5-Methoxy-3-hydroxyanthranilate 79459.87047 88533.78847 63153.83607 67844.85604 67051.39195 58927.43925 67771.76853 74848.76658 82001.25056 34221.30984 45205.69636 26846.17882 41770.01416 23116.69524 27214.31565 12445.74663 15711.06575 38352.94614 134818.308 133431.0831 134296.5873 112102.9881 99298.30649 106112.0 91537.46689 103959.1531 118784.683 33128.51547 32358.27943 28892.19508 26026.12113 40284.274 34514.57901 66863.93294 19127.72442 33964.3855 107324.1638 85867.79103 71263.65466 97310.32955 114554.9806 101253.2933 104226.361 112524.4587 118220.5921 101325.4378 80901.39965 82868.38398 70496.78794 134406.7586 49655.11739 109536.5611 31432.70131 80241.77005 N-(2,3-Dihydroxybenzoyl)-L-serine 1180.161326 1219.319625 772.64269 562.9997237 694.9256501 668.5966156 893.3422707 431.7445452 704.7726486 398.0207727 274.8681975 265.1438735 630.0862668 314.1997492 621.0665523 87.57991385 71.93690745 290.5533522 1111.753019 1234.638977 1336.925159 1597.617435 1789.262165 946.8298492 1019.614225 1285.140387 1057.152783 363.0613444 396.4701509 296.4248659 109.7698359 443.2057213 341.3114696 602.6198695 50.62653909 293.0997768 538.0440883 1015.805762 643.5132915 898.3694193 1479.727611 1702.368429 1033.389552 1233.944095 1348.10464 988.6320131 1451.328864 804.7320916 567.0636346 820.7612856 351.5585499 747.328991 312.6469906 725.4924441 2,2'-Bipyridylamine 563.9067563 479.9058247 1216.834103 1276.655872 1710.474729 1003.64548 808.0314277 528.210474 415.4995324 4.07813e-08 51.46529597 647.8696366 51.52317498 575.3970865 115.0895968 206.2515806 4.07813e-08 112.8990819 919.578818 858.2061472 669.5270829 718.6992418 756.2285142 594.1171955 713.4249872 912.150275 1037.168195 159.795389 139.4936776 150.1850959 4.07813e-08 203.8851814 348.3628598 165.5501246 84.5816149 184.3285351 672.9716523 767.280311 612.6923067 1004.70737 878.8121105 669.075151 790.4734341 1097.855803 1072.132177 455.8241074 519.4867625 663.3898695 431.705651 599.8611928 179.470356 456.8714221 181.6846536 710.4623238 5-ethylbenzene-1,2,3-triol 472.3462974 503.4519908 471.4498645 780.6661777 1105.280484 495.7999085 545.2832627 269.6587092 249.4613972 106.6482977 92.57376803 63.88779924 111.7024511 35.51657671 26.88389423 37.09853114 52.86383897 202.2497464 943.9256383 801.9121741 887.0858317 824.1580592 953.9239415 701.6473252 584.9150173 1055.677644 670.3238712 110.6708483 56.98255547 126.3588466 46.04430165 58.28219221 132.2892624 27.38232333 146.9757858 4.07813e-08 479.7785945 705.0508983 744.8903871 866.6178097 804.0825682 863.2846074 796.7921996 994.2777538 1181.057392 572.9110344 440.3818307 400.1278213 606.7204138 561.8454025 130.2751496 283.34084 35.78383954 798.7883665 2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid 730.9188213 748.6967644 839.5683516 684.6464407 570.8805414 625.5491363 401.0503699 660.1605023 463.2495609 407.311531 385.676577 290.3744177 407.8900833 218.0520067 129.7300031 93.24148013 61.50296051 277.5073139 1190.864815 1333.736278 1235.121787 1140.337863 885.5754509 924.0950625 1068.917349 1042.049175 1125.602958 414.735706 443.763097 216.065222 418.8163321 332.2231842 326.559562 500.6317513 71.94482671 220.2446928 681.503529 820.2189317 760.0916705 866.3092895 1130.558172 1105.365548 790.7119777 984.5204734 1087.597835 548.7908268 846.7659952 797.6742295 858.1813954 833.4367405 531.3479076 671.742814 622.1370961 750.5759759 Salvianolic acid D 4.07813e-08 571.9119014 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 174.6084589 4.07813e-08 1189.846939 896.2314128 555.0126653 1640.719839 6799.621919 2431.950003 663.5422083 1081.35743 906.735254 4.07813e-08 237.7930246 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2484.396925 3395.20106 2923.768392 18087.01717 39345.81034 3513.534212 1501.196879 1074.00078 2152.677982 4.07813e-08 310.3851648 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2166.401051 723.6040631 3409.243863 4.07813e-08 164.7228819 90.79725157 Mebeverine 2857.176677 797.7139556 7089.025595 1301.831555 2720.926922 17959.95107 3438.455753 3710.353108 5537.992974 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12800.5525 26371.33223 17872.85735 23546.42912 45145.96672 62281.91684 23349.48494 4452.293754 5262.311527 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2485.511403 11530.30799 12075.30117 20126.49582 21012.65123 30753.79 45806.84791 3695.259826 8429.756128 40536.03235 16539.08508 22665.81569 7306.943849 4626.953706 2354.313149 10182.87214 4.07813e-08 10033.05337 2,5-Diethyl-3-methylpyrazine 1086.437592 623.9996465 842.2655768 4.07813e-08 306.6359811 1205.280169 1763.0488 1941.296646 921.7143892 4.07813e-08 4.07813e-08 639.5102757 195.4520048 4.07813e-08 390.9271791 4.07813e-08 624.6108542 251.594622 1211.406235 1777.694627 1909.092767 985.8263121 1345.873966 2641.215236 759.6034067 1047.830903 4358.110705 4.07813e-08 264.2709586 4.07813e-08 4.07813e-08 99.7553935 4.07813e-08 4.07813e-08 119.894564 4.07813e-08 1082.422439 765.4631489 1142.016178 1747.788274 1805.74632 529.0801173 3530.329422 1039.335674 757.3203254 2824.084844 1632.230718 1569.909317 1463.299539 364.2209129 4.07813e-08 1629.045591 4.07813e-08 1368.405994 Hydrocotarnine 1255.061474 1568.169174 1017.920268 983.5447048 1039.258851 893.7140783 1101.9495 1152.652668 1393.184049 843.906321 972.2972764 690.7903557 702.7437181 1024.975769 755.8842517 724.1361841 671.7994046 905.1191515 999.0467499 512.7653396 573.1412795 821.696073 575.1867168 785.7327687 489.9488792 1378.217312 890.8329307 864.0418928 1225.222827 564.2878539 903.3965193 808.0755618 880.7971283 716.8261047 1162.523476 1125.522905 658.3632618 676.9943842 523.3102426 789.6753369 553.7799658 430.7488463 627.9660761 744.5150974 984.7370913 862.2902578 896.6031459 982.5241863 859.7543086 1155.143396 751.2453452 505.5610562 957.9487734 972.2375138 Nookatone 3700.889573 4118.738824 4732.04298 4099.108587 4244.624578 2198.752629 3193.609417 3640.546387 3451.163668 2894.708169 2839.642251 3483.885933 2819.431505 2737.620343 2191.355164 3517.447535 1954.842522 3081.203896 2722.324918 2863.014734 3194.459574 2243.427305 2204.678179 2306.056259 2757.015393 2798.58599 2641.499067 3000.226851 3412.143549 2201.05553 3692.10447 2941.962025 2663.682535 2537.205765 3077.052726 3277.40867 4016.157054 2291.086721 2229.655587 2108.154248 2235.90824 2817.431429 3034.201023 3168.030397 3852.252545 2685.686702 2300.900834 2433.09639 2435.116392 3099.186794 2259.377633 3107.346941 3347.959134 3513.548717 [5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid 133384.4684 119976.081 133219.3268 133389.5247 141058.6732 130377.0507 131591.1016 128371.1647 135867.4945 107420.626 96601.56758 106054.5085 98304.42696 112123.9367 95742.18181 132066.7883 103121.1935 120434.7051 99123.14081 106171.6651 87427.47051 107208.4295 106797.6719 101642.9189 103148.36 111355.7296 114647.061 96378.76698 104238.3062 99040.79224 135332.1915 97439.99895 94359.29335 100140.6818 116474.1746 130041.7059 111567.4355 91846.40485 108968.5441 94596.3167 94941.36482 98844.8354 112616.271 112669.9471 120684.7376 107083.3234 112212.6948 110048.6492 114545.142 104894.5666 93301.16938 103515.7648 109315.5921 131318.147 4-keto myristic acid 1967.030353 2175.056591 2707.58057 2347.751478 2027.120494 2613.862956 1860.287305 1903.341098 3008.048881 6247.47655 4589.799264 4196.613659 6857.606179 5614.434017 4566.286279 7438.841344 5021.248082 5877.775874 5924.676477 4653.818681 2139.906795 2392.920179 1269.157523 2968.459333 2429.696099 5366.258056 1515.00154 3468.129468 4052.797344 3741.163023 5279.622496 5355.799427 4318.259509 4388.417597 2583.025557 6591.97324 1739.731876 2197.694685 2396.677898 1333.063442 1322.059478 1044.000407 3235.71685 4128.555519 1456.019846 4908.504121 4242.396863 3372.772119 1675.727364 1259.02725 3483.076644 2209.244117 6194.383498 4193.682615 3-Oxo-delta4-steroid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 790.2840648 10015.44788 5906.711203 1277.119775 9525.363272 584.3480346 4226.292406 4283.687585 2112.832327 2394.43433 1669.372052 1960.768205 1384.024646 832.0516802 395.6447486 1414.832467 1566.411392 8290.636603 1100.652443 5357.039842 5728.280401 1849.29545 7459.74389 3939.047691 3962.814019 5438.529201 5327.458555 2527.776585 156.5039136 1763.129194 351.0293278 133.3872273 1456.580876 4.07813e-08 917.6629543 5725.649772 2906.321155 1213.538822 1594.738297 701.5416919 4.07813e-08 4.07813e-08 4220.471069 604.2970415 13475.10657 4.07813e-08 Cyclododecanone 5034.165153 3969.614724 5156.872378 4684.673547 5526.655797 5444.341861 4688.700754 5268.573457 5077.858158 3328.559023 2958.205922 3045.679468 2905.747109 5168.971768 3714.812793 4751.191421 3761.83018 4023.285478 3042.864191 2869.108182 2748.989213 4398.591619 3820.27403 3246.690367 4046.225841 4332.323224 3821.591388 3180.892677 3044.441704 4434.526098 5148.936618 3696.839856 3719.555304 3407.232091 3612.647471 3919.59504 3686.977444 4367.376637 3730.350237 3255.070776 3103.699147 3059.365745 3397.503316 3448.513639 3752.799035 5426.376291 5088.952812 3600.604557 4227.959888 3680.961247 2789.509333 3839.417742 3934.299297 4133.813849 4Z-Tridecenal 3102.892736 2791.5751 3179.281258 2067.177638 2742.264408 3216.64012 2883.678635 2781.932572 2923.37439 1677.893953 2208.016717 2141.486247 2197.453612 2625.459724 2376.821545 2929.439767 2151.322593 2514.23039 2394.758078 2008.859161 1751.527835 2426.442491 1952.274429 2027.057401 1898.403045 2270.336981 2310.369052 1874.640489 2018.198087 2721.50715 3537.309159 2623.883989 2428.486145 1853.560454 2313.003103 2704.674868 1841.292273 2237.785739 2452.407767 1844.56085 1874.101274 1896.428793 2258.307978 2444.122455 2217.476056 3248.340054 2196.346392 2995.455529 2457.378899 2213.929797 2078.804096 1438.021292 2305.590351 2872.147443 Thiouracil 75212.45364 71553.47615 73723.64905 74775.53558 76091.16938 67463.23846 68504.10966 69634.71335 71816.68783 59883.93061 59642.35244 56060.93317 57414.30674 65054.78475 49933.96292 73102.50611 52116.10396 65762.56894 53998.43223 54444.8528 50652.27849 53580.0761 50156.14055 51632.92418 55063.85502 60773.82916 57647.96954 50085.48213 62588.13989 56925.42492 67680.63461 51472.22415 52534.57246 50721.3659 60573.9135 69899.54659 60065.61119 53079.20045 54332.67412 49194.95927 49937.18313 51737.50666 55658.98287 61287.76443 62337.30164 59096.68771 59444.0745 54652.16612 59555.6672 56178.96885 46401.50582 55501.49514 63861.91756 69249.39133 6-Phosphogluconic acid 132917.3804 126717.205 126619.8575 129380.2637 132640.3376 114942.6663 115808.1595 114538.4501 122050.5242 109338.9095 107004.4054 100296.9523 104039.9366 113600.8177 87254.58327 129514.33 91667.58569 116330.3861 89654.30697 96946.38141 85591.91113 89239.85654 91458.04427 84721.77244 96567.45235 105427.4793 102180.3687 94290.08993 104701.9367 95977.76757 117017.5288 88642.56752 94298.79241 90873.40764 108249.5161 127680.1463 104941.2679 86534.42723 91927.44601 82068.98337 84245.49687 92150.16534 99436.59298 106350.532 108413.0457 103052.6165 100376.864 97236.04108 104900.4534 98719.51998 84928.09764 95046.45294 116792.0439 120243.2723 p-Acetaminobenzoic acid 564.236002 730.7892928 555.8229181 915.5464985 925.2018815 595.3234353 900.7335653 658.1191119 652.8687941 176.6022407 208.4401895 242.1560871 152.6764713 227.6432116 221.158083 268.8321988 169.6088991 266.390088 678.3133225 908.372459 1087.900011 1108.675737 572.6146728 1129.167831 1138.679973 775.514271 1386.753419 261.9889286 229.2502418 159.7808776 345.8879049 196.5477442 355.2770825 156.6704711 164.8609392 275.3991901 884.4626806 862.8307825 800.9405184 743.9820044 904.4036285 723.1595037 1102.628412 881.1098997 675.7802273 1972.255345 1052.872883 1276.280468 820.5860573 1475.893017 214.1497454 1147.814638 236.6660965 567.7285502 Valproic acid glucuronide 4.07813e-08 249.6726742 4.07813e-08 230.7913006 4.07813e-08 4.07813e-08 287.5097685 309.3811091 941.3983282 2270.138798 2549.772984 1241.60566 1774.949279 1416.506919 4240.746109 3714.309287 7672.656495 1577.388906 68.84796978 4.07813e-08 119.4403574 4.07813e-08 4.07813e-08 4.07813e-08 87.95246693 4.07813e-08 4.07813e-08 2188.189035 2948.912547 1264.520406 2922.236377 1877.461422 2175.978951 2413.292871 5090.795228 4282.819346 60.70421812 79.58152554 161.660565 4.07813e-08 4.07813e-08 128.1137223 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 63.2862384 89.11348319 390.459387 1037.6576 4.07813e-08 965.7363258 4.07813e-08 Hexobarbital 2122.365498 3079.190363 746.7167273 1786.387227 798.9953283 893.4488905 1961.415577 2099.038193 2444.399585 826.2925664 711.3441679 446.0659035 728.4525833 159.3143106 586.703815 708.0146454 861.3383399 328.0037811 89.51369847 271.4510627 789.9572363 34.00568301 339.6349061 52.15282768 211.8689279 449.1887557 288.7338766 374.5238195 514.0259845 120.0413057 578.5729506 210.2215608 480.4588168 447.2651933 661.2537628 652.6976758 253.1863042 195.5830151 461.0200183 640.7086096 34.34061667 189.8075935 104.7058509 218.8089922 153.3880291 180.3245234 915.4832346 243.4010716 1060.901482 5281.543991 231.1993326 293.3207367 855.4373383 642.4030164 4-Aminobenzenesulfonate 7555.00504 5984.284241 5305.041486 5317.018468 4249.122631 6682.369874 6261.927514 6026.343052 3705.909132 869.3509077 706.6872228 1143.66227 806.0869315 76.50609385 1059.177272 525.0203869 194.7524093 1024.23544 7237.714335 4696.801778 5765.618878 4974.81276 5148.822532 6382.185836 5972.813297 7808.163884 6630.178396 986.3877009 1192.365209 253.4496784 599.33112 348.0896157 1175.163602 2136.124804 268.4418182 933.8248481 7562.720779 4014.844108 4518.592027 5246.63607 5152.304387 5472.58959 5825.216981 8137.818591 6756.501571 4344.389427 3395.673087 4915.072382 4563.542936 5545.257499 1150.537972 4495.510151 722.4252681 5709.107524 N-Benzyloxycarbonylglycine 1537.097397 1267.392462 1167.19567 1121.550885 1034.622782 1372.4205 1273.231346 1739.64896 1878.982122 1620.165054 1253.524229 1201.25868 1619.966077 440.8692253 640.6334177 559.7131209 437.3845102 2090.280715 2279.244343 2222.082471 2002.804402 2041.159958 1951.278291 1747.559392 1759.833667 2314.510786 1636.835578 760.3088374 1498.522413 1251.862997 2002.977228 973.0652923 394.1352143 1392.843571 432.8522644 1007.535459 1993.54876 1516.017663 1554.10585 1789.919151 2169.810367 2162.24008 1444.919544 2401.599051 2131.243481 1528.989746 1438.035965 1528.042115 1492.8307 1680.676865 1103.412878 1455.408986 847.7151741 1545.459729 Methionyl-Isoleucine 4080.415548 6179.990952 2619.231768 6502.984112 2599.608709 3768.747962 5329.721345 6111.701759 5534.425169 233.0668365 332.249016 530.7874326 317.3490983 21.16764763 305.4776949 177.1719503 181.1569879 161.7156248 707.0783555 869.0764989 1813.709592 605.9474693 678.4255299 967.0495445 800.0915672 556.8969237 841.5044723 216.4709748 125.9724019 33.39199997 193.1162347 77.99240708 201.582464 265.5737609 211.3393658 170.247465 1817.537298 1153.021163 2201.917733 1761.568525 545.9550187 618.3902474 813.3475595 481.1273222 415.8050186 731.2841955 2463.503098 1333.781714 3491.880673 11004.41206 44.89112 1213.143732 339.9583714 1064.406739 PC(0:0/7:0)[U] 2589.84711 3112.459917 1364.577873 2140.816468 1910.818325 2535.753674 2613.835666 4321.52431 4929.548895 62.65414476 48.7309865 56.13066232 70.04393445 65.57163964 4.07813e-08 4.07813e-08 4.07813e-08 156.9411426 256.0702909 539.2999164 1580.330485 719.1711671 586.5421169 713.7387967 966.0159933 219.8691349 730.0605598 224.5670382 79.7680623 146.7358837 243.6676669 65.25897686 44.98142761 4.07813e-08 185.2459988 143.6001477 737.4267101 936.4189556 1645.36872 1342.695745 794.6323552 861.3520197 672.6919478 246.7015704 381.6859734 536.5861271 1396.13704 1109.703234 2393.772538 3348.337097 4.07813e-08 940.4356027 70.35834208 818.1828356 3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone 3669.672897 11179.97676 14091.57249 10268.04196 13622.4936 20428.77324 14675.24427 15114.43296 11812.42887 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.803490215 4.07813e-08 9009.091141 7627.434547 4485.388952 1704.756811 5384.020672 8462.488087 4386.609511 1238.986277 4701.874527 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 124.4390484 4.07813e-08 4.07813e-08 3267.532048 5809.184931 8833.464101 12620.61933 6040.148116 10280.85505 11945.83146 2783.456305 4.07813e-08 12623.34587 20098.41806 7749.023847 10974.44707 17453.37191 4.07813e-08 13744.92866 103.9665908 16900.22309 D-(+)-Neopterin 527.4609155 328.5272193 336.4754721 165.2808493 207.2551508 182.7299188 423.5749778 270.5740611 128.9122311 39.0267396 4.07813e-08 4.07813e-08 47.44600204 4.07813e-08 4.07813e-08 4.07813e-08 0.002774217 4.07813e-08 821.9528537 471.7639378 707.144078 377.9905618 490.8621278 578.7551477 598.4394471 927.952214 880.8332024 142.5733202 30.9437619 4.07813e-08 4.07813e-08 41.1427459 37.35902098 176.7922393 4.07813e-08 38.68118718 617.5467369 523.725739 619.8144525 691.3263637 403.650128 437.0274334 380.7654949 661.6661537 927.9451965 377.3367733 136.3778163 316.4857159 493.0385917 917.2699047 4.07813e-08 571.4234638 43.43139775 282.2317312 7-Hydroxymethyl-12-methylbenz[a]anthracene 2484.365767 1494.068429 2118.770798 2132.867716 1977.225576 1658.027995 2273.13274 2013.442278 2073.002248 1118.878728 897.0154036 678.9905884 1523.554895 254.5226778 873.0992178 555.5707183 483.1659711 922.8565767 5917.413789 5705.121852 4958.001772 4415.554262 4628.185662 4829.716798 5894.206175 4483.831855 5796.723223 1103.861102 1258.064274 1408.375582 1388.757847 2072.752135 1644.533142 1935.07918 444.981493 1185.232411 3784.489886 4430.539592 4290.266259 4025.186078 5089.907035 6121.844815 4020.697885 4713.544509 6952.272338 3749.958854 3197.866521 3733.904051 4259.938326 2908.203318 2518.893315 3826.4138 1473.743324 4602.76975 5alpha-pregnan-3beta,20alpha-diol disulfate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3932.235918 3895.16267 6981.623255 4465.343247 7145.965385 6445.481304 4196.871902 1800.152609 5059.687992 72.25716262 4.07813e-08 4.07813e-08 4.07813e-08 45.21117893 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3486.240071 4138.998879 6640.445784 2645.917896 4194.934307 6226.828819 6130.519412 4542.809728 6904.261656 52.24462907 60.35907805 4.07813e-08 36.41680813 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3978.380539 4.07813e-08 4045.380203 4.07813e-08 WYE-354 4.07813e-08 1626.918032 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15058.92078 10571.81331 11471.13034 15751.01726 3966.033084 14445.62894 4562.372626 2746.357776 8633.145541 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14794.72009 12110.0507 2101.069513 10709.05953 5306.17736 10208.34233 22724.56249 7033.531877 5009.908571 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 326.6429849 10268.66547 4.07813e-08 7414.122941 4.07813e-08 PC(O-2:0/O-1:0) 1540.949571 5539.901703 810.2563479 809.4403802 1074.143437 103.5556078 2004.747235 2926.922653 2726.801219 20509.20771 13833.88922 11901.35214 20442.12825 9207.914303 16229.55479 7913.870121 13928.17461 13506.95418 2487.040784 2345.341892 3687.517651 870.390718 2497.048842 2203.130587 1425.470575 3246.63743 2328.420806 19080.99066 16969.42863 8419.840428 13307.32519 12785.18676 13613.73262 19491.80727 10568.0841 12498.42785 3599.836708 1843.288294 2785.113901 2290.973414 749.8266314 2709.508922 1888.355357 3765.867248 2713.75775 802.6703318 1150.686505 1503.117043 3265.932792 4906.407976 14414.27873 2304.416124 12870.24594 2038.328218 Leukotriene C4-d5 2148.748556 20515.40002 4.07813e-08 2568.868083 4.07813e-08 1819.899035 1000.777491 2798.515813 5590.369384 5480.806006 7428.572191 6108.728695 11432.92553 6116.905177 1524.039068 157.0227352 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9445.898516 4.07813e-08 163.314364 4.07813e-08 4.07813e-08 4467.258516 798.1318004 4.07813e-08 1144.928348 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9955.237294 5646.11362 19331.9408 68061.54231 610.6616678 3952.509363 25229.60084 7771.291138 trans-p-Menthane-7,8-diol 7-glucoside 1335.846367 1633.743624 2016.595138 2561.554904 3233.323348 1127.165605 837.7132534 1632.499375 1337.026414 164.6914345 184.9692871 251.5860473 469.1845259 109.756371 141.9354798 4.07813e-08 4.07813e-08 203.6539602 3113.480489 2096.120097 2437.618377 1934.602511 977.3548293 896.4748773 2591.195098 1426.923936 1775.677132 531.2727568 355.5257526 186.0101277 191.5264065 295.704485 220.9963791 238.3901555 4.07813e-08 58.54541856 1799.515091 1609.583372 1515.813989 2157.007054 1659.519477 1916.89393 1120.403752 1778.3473 2114.943307 500.3929394 1390.228987 1437.091718 1342.116349 1324.473775 274.9960562 1540.476985 155.1339988 906.9152792 PC(2:0/2:0)[S] 3301.330333 3642.899145 2234.080849 2378.462774 4879.361346 6716.809984 3866.840857 2438.202956 1758.272246 1669.04825 249.8983539 76.0943492 2299.363604 4.07813e-08 221.0408954 18.83133935 4.07813e-08 110.1721496 3665.031387 2789.672724 4130.400374 3060.048224 7220.618121 6994.109212 4261.279608 2811.677643 8143.235235 202.5348019 80.47755612 1.236944331 25.40849443 143.1289301 28.68328531 155.1619849 18.2422601 4.07813e-08 1128.857112 4543.336939 4029.072515 13894.94805 3737.869746 4183.317969 12171.07078 4307.36847 4.07813e-08 2064.159504 615.9872691 1970.596686 2041.293901 4492.889853 59.25003665 3222.283859 95.98518161 3461.310508 2,3,6,7-Tetrahydro-7-methylcyclopent[b]azepin-8(1H)-one 274.3738722 180.7290609 334.2977639 354.5636496 492.7231797 357.2374419 291.1239279 213.2548669 134.4247912 4.07813e-08 42.41805134 303.4850135 4.07813e-08 145.0951189 60.32352919 92.94164572 4.07813e-08 108.5215025 358.2102159 425.7400023 293.8308829 428.2699503 269.0608207 418.9767742 298.9560485 588.3599518 456.3388983 63.08183091 57.4216225 72.06991728 54.21394889 68.99628823 168.8037366 62.1720264 4.07813e-08 151.8538483 202.3241645 178.862401 218.0786527 398.3828874 267.2773101 444.0005475 404.9186511 513.8944338 441.6029774 288.2770351 352.4693188 306.3376939 209.7830419 185.1121699 59.66753761 227.8134347 4.07813e-08 214.7080676 Cyclopenta[cd]pyrene 191.9807874 271.0648234 300.4972816 250.7576862 115.2979201 344.5700289 474.4636916 80.40892129 449.215302 780.927629 377.4457252 317.4157387 834.8797013 285.8443496 1483.904058 124.9800715 103.8149264 459.6744417 2861.887879 2998.655129 2321.840805 1993.784509 3457.887995 2630.731291 2357.646914 3603.237894 3081.33177 492.9350695 706.4737933 361.094894 355.1233053 645.9007303 398.0448309 560.0381393 329.7905922 390.0821325 1918.551932 2004.496299 2332.151214 2267.871156 3094.969987 2793.022298 2820.868517 3150.751619 4019.745126 1874.974473 1646.691445 2044.727086 1986.14871 1526.856586 393.1672424 1834.195708 271.1663908 2563.886101 5-Acetyl-2,4-dimethylthiazole 284.9397375 216.9538371 337.4264615 236.6523061 152.0627796 212.3693342 164.0115109 285.3199196 164.7198825 4.07813e-08 4.07813e-08 21.63687273 15.84408786 0.481455837 4.07813e-08 10.77662517 4.07813e-08 33.20888576 483.7173141 422.0716052 514.3131707 670.7519056 531.6428103 436.0324896 375.1174711 749.0984898 680.7072138 129.4724238 1.260410658 6.993391773 90.34793114 41.31472218 62.89334733 151.897735 4.07813e-08 1.809660465 331.4574417 361.3564377 485.3971301 330.6819213 636.1977026 621.1483788 537.3226223 710.885852 557.2289317 241.827071 206.2411174 343.9617687 487.5735485 410.8957526 8.824210217 383.6799923 4.07813e-08 155.2082611 Salbutamol 4-O-sulfate 182.5527997 520.4865866 236.6949585 81.92546857 133.1432416 4.07813e-08 138.2083214 141.663174 4.07813e-08 1054.034992 770.5231234 713.5190453 1205.91801 227.5288561 571.6439416 241.3972894 1732.913862 29.51823481 616.189628 358.4429981 452.2229277 163.4798439 383.791701 269.8937298 235.6086505 4.07813e-08 371.3741727 777.9152059 1122.523387 1189.476142 137.8545861 1084.465741 666.034228 1392.825641 1111.741473 307.2741136 494.5515051 433.1564606 330.6334462 425.1670265 387.2822669 424.6505663 85.02977501 670.8174303 191.5876502 53.87817184 272.3196443 562.7059614 195.950652 133.5938229 2010.773562 216.0735812 981.8684832 557.2612927 1,4,5-Naphthalenetriol 1420.846179 1333.502961 2763.471961 2721.401416 2382.210578 4989.04626 2699.838112 2535.89391 2149.498518 11.89943744 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2838.851216 3350.094574 1630.175492 2563.207961 1245.486652 3235.492958 2124.553403 352.2591259 1347.916927 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 272.7427156 4.07813e-08 4.07813e-08 2252.372908 1754.439852 2294.814776 1537.313489 2161.142941 1056.826095 2382.037156 693.9509308 1503.403188 2748.978143 2407.430615 2710.710378 1858.636465 1457.616112 4.07813e-08 2787.047049 4.07813e-08 1834.974483 2-trans,6-cis,10-trans-geranylgeranyl diphosphate 244.7844486 568.3311166 1441.046738 375.9362493 1628.741931 748.3112284 1568.076433 6672.536435 5704.769587 82.43188778 50.82706339 80.75712939 75.70533727 46.247567 9.308532065 1.467004703 113.0060779 1659.812289 2662.037412 4287.631059 5579.639814 3359.338335 4211.845463 3727.514056 3828.604813 4706.187038 3481.922725 242.0165428 145.9798146 279.5083752 173.3092431 364.0984741 136.3824531 42.2240333 6.282079915 60.35889802 1040.275259 2361.097341 2971.505038 3573.984134 4053.773687 4188.553871 2269.522068 4564.493094 7067.997279 2621.329626 2926.217368 2645.622202 3129.652915 1468.474185 750.1885923 1814.291907 31.05925882 2015.842423 Nithiazide 146.4808474 263.4695652 248.3608905 4.07813e-08 622.5426962 183.8387769 296.5661287 228.5072154 31.27274601 5023.472015 983.8960911 1340.308063 6911.411088 166.0750856 62.50862093 1522.538201 349.2802578 3728.45192 4.07813e-08 4.07813e-08 285.8195692 105.813116 4.07813e-08 4.07813e-08 1286.977745 13657.19409 354.5229218 4326.824981 3135.300756 2750.736718 4557.537845 4316.652999 10830.67515 321.4196484 1928.606946 3981.936327 8003.790019 4.07813e-08 4.07813e-08 728.4264692 4.07813e-08 262.84647 69.15531344 16558.83032 866.2112719 867.5829191 4.07813e-08 63.64347701 339.0318369 1549.321581 2206.208782 963.3308888 2193.320221 78.66406326 Fertaric acid 3462.585371 2745.24444 2916.094946 3533.553371 2435.353138 2881.948586 2737.319734 3002.034468 2756.464915 2301.794012 2154.435064 2016.939589 2092.566212 2521.647632 1825.09193 3112.760434 1770.971969 3021.749429 1825.324804 1899.995595 2290.247629 2151.809027 1880.894296 2181.312204 2562.988675 2567.644305 2360.810651 1661.170117 2670.68859 2441.760004 2609.422777 1697.011241 2109.853508 2022.71267 2365.600586 2531.486457 2133.141301 2304.131648 2575.621624 1756.6458 2145.067567 1591.592126 2328.039804 2209.516604 2551.577904 2762.387617 2482.258047 2480.417543 2715.510744 1955.952726 1597.530499 2196.857144 2368.459136 3301.573553 Sulprostone 1377.287124 640.5914435 471.443395 554.4990049 1165.971351 955.8920162 1302.269453 1334.395301 751.2096836 3923.879851 6957.947449 10922.61808 3554.108817 4181.316713 6924.470355 20902.79794 19087.59179 2465.123836 4485.529074 7209.34524 3268.051156 2381.059626 4443.207322 3664.018279 2931.385288 2875.54183 2389.148503 9427.075374 2772.016598 16017.76694 895.0946427 5547.886089 10967.73679 5469.829497 6267.97152 2068.129514 2394.482838 3129.08747 2013.59612 2695.914539 3572.222602 4216.367615 2036.683761 1658.882404 6070.315232 1164.455648 2125.7687 2315.328105 1261.772736 684.1111038 14797.49996 1134.744409 34370.08568 2152.397159 {[5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-1-yl]oxy}sulfonic acid 1211.161286 492.4439082 4.07813e-08 865.4610761 1301.259872 80.56385001 180.5505864 1020.511451 193.3929228 1336.273412 4.07813e-08 445.5064989 1810.660877 202.264647 538.5135882 676.2143827 604.287334 3673.877812 4.07813e-08 698.3215553 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 373.7518229 4.07813e-08 4.07813e-08 789.8258207 383.6543936 1554.142826 94.659595 132.5503599 209.6098325 1649.830079 4.07813e-08 1260.514826 1427.779524 106.0367223 4.07813e-08 4.07813e-08 4.07813e-08 128.9502403 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 867.3881821 997.060428 343.8766282 2041.47958 5463.078345 1519.801047 1104.396865 511.7505087 Biapenem 2369.578624 2283.866625 2185.810061 1705.645282 1852.601718 1938.049257 2356.679364 1349.483357 1279.654991 1488.542396 1334.026756 683.0141133 1660.624469 736.5248291 1930.871231 488.7444308 377.3613894 963.0032774 3096.597803 4499.38868 3146.768461 3018.939797 3484.152811 2627.849689 2416.445424 1270.866688 1790.563219 356.4734184 1321.563726 682.4466886 525.9991319 1009.101024 1024.378061 948.0520591 512.4213755 897.6575553 1790.358821 2376.260501 1687.398778 2203.221359 2698.364787 3937.905566 3777.397663 990.6997502 3053.648259 2318.96031 2077.131217 1984.254915 1967.758724 1336.927266 1708.794274 1957.089397 545.8725098 1751.161622 Betaxolol(deaminated) 2366.432558 2258.757587 2037.010113 1298.32169 2033.712831 2613.238053 3134.099633 838.5289075 2168.039657 1046.594349 1417.647776 270.3068739 1155.557705 278.0940836 694.1884944 1284.16308 410.5531984 1795.235219 5371.179523 3951.834287 4050.108536 4517.223161 5376.123639 4085.034704 3292.86703 4694.526259 4732.769633 325.5651255 1443.516899 973.1294152 1030.688393 1734.997261 500.7573947 674.3730605 317.4110678 1767.117211 3438.482644 3731.40878 4122.64241 3195.224791 3717.382486 4721.425415 3683.233266 4587.697192 4703.067541 4175.687137 2691.853158 3388.412024 3463.673261 4395.19463 824.826374 3447.967719 776.5850224 2366.813936 Hydroxycitronellol 2465.18826 1165.590902 1807.506955 1009.113366 1057.343579 1711.488888 2629.457914 686.2513322 696.1509591 191.1464747 149.2978118 75.47134676 331.1438794 382.914655 752.9122026 291.4757382 84.6394633 232.3183528 1624.648276 1553.519729 1574.397934 1240.970261 2246.631713 1898.599899 1328.738322 1677.072989 1783.985735 45.51496836 123.6431521 34.18811721 78.36028375 34.72343139 130.6537373 412.7128071 128.7203027 162.233844 1533.333375 1497.962024 1269.503545 1660.742992 1500.505413 1710.342845 1648.938016 1644.388466 2012.839776 1502.368694 880.9519059 1104.021983 906.7173024 1065.978912 84.01118453 1388.63497 108.7287714 1869.194672 (25S)-5alpha-cholestan-3beta,4beta,6alpha,7alpha,8beta,15beta,16beta,26-octol 1950.383503 7778.037166 7376.634176 9367.555962 16308.98972 8121.506912 10269.78437 3803.899534 5972.420237 9400.164488 1267.743716 4335.96242 9782.391476 2648.741805 8504.734893 3044.862591 14016.38855 15468.33876 3360.978534 1098.076435 3196.092092 6279.598623 9067.980582 9360.689256 6620.470916 6294.010149 6444.05932 12500.72216 662.7455454 6682.422045 372.275083 4.07813e-08 3221.212624 1698.082529 2528.708588 7557.824196 3295.929756 4878.164235 4905.754992 8224.027343 5205.048104 7096.878554 8748.925299 3604.039361 12890.47476 27553.30999 6181.867229 6817.076325 2961.943443 2418.157102 1834.656369 4935.778404 1112.287183 4490.592253 Archangin 3954.540959 5277.091474 2459.849723 2419.767572 4007.3223 2473.382911 3574.292563 2218.292875 2992.695885 5045.856989 3529.751167 8403.183035 5496.98125 3603.997306 7028.141178 3661.275116 44528.71781 2967.086221 4200.673576 4959.653561 3990.30019 4827.095043 5789.868703 5282.125424 4715.357674 3095.864018 2901.947156 5513.614436 5243.423608 13460.73878 3659.711091 4420.766884 7406.82208 8545.127636 19291.32722 3114.199314 3066.514315 4719.937981 2848.765324 2718.381979 5535.660598 5140.879215 4372.419735 2540.524424 4440.65352 3850.421857 3040.89331 3733.074891 3124.638843 2449.34373 16446.62033 3714.272489 9333.28905 3248.750305 4'-Hydroxytrimethoprim 3141.734812 3477.131602 3059.414028 3092.160609 2950.757574 923.697453 2043.855134 2553.140502 1002.254543 446.0122114 813.2431171 489.0616947 622.7327701 462.613678 1477.121384 235.1640249 138.5369569 554.2386042 1037.883691 1431.638178 1277.633305 661.3785285 1838.506751 1009.800856 1756.84371 826.1298038 821.4286923 398.2525843 224.6049036 456.0698695 186.552627 728.6882663 499.3668497 512.4934484 142.6861882 518.1435903 1536.282669 1656.000932 1628.117908 1547.008618 1159.219572 1703.396676 800.3087761 717.2113868 567.9189616 370.0007415 1080.619182 3713.991545 2629.379697 2634.430608 672.5420837 1686.641013 830.5650193 1215.421106 4-Hydroxybenzyl isothiocyanate 42.81015418 386.3537366 50.65374799 4.07813e-08 69.98084246 107.2982637 88.20719904 1843.670865 5315.043292 261.3931633 36.30362557 184.3621274 299.7616932 125.1499985 4.07813e-08 46.77241093 99.8437962 77.78031001 407.9066815 717.229175 1219.96218 347.6117984 308.8139847 899.5973154 1921.332306 2436.502223 1452.481907 125.2769112 163.5375398 205.9849715 131.7464136 100.4064869 4.07813e-08 346.2171666 287.5671727 77.82905452 296.7632073 476.3850741 604.9321281 1208.53991 283.7495646 300.2878946 767.3094423 2240.365811 830.4885515 4632.005706 3357.071688 1578.744233 1432.0629 404.9839365 1176.965214 2422.083039 563.4225191 181.9232662 Norquetiapine 2784.636297 2046.884105 376.4643026 1798.8764 5670.74189 253.2715077 152.9812549 897.6936888 2825.890446 21936.64339 29603.42434 29812.11324 20347.60169 24595.83639 26376.28549 28456.77428 106494.9684 143.9280571 4811.903786 10426.67639 1360.229133 8432.802803 5676.714888 1623.851786 1580.080954 3978.914057 449.9890042 17537.70937 25782.33733 34954.96981 18533.44139 43580.19779 26450.36742 29615.72809 29263.43117 86.88941483 4288.188934 1772.80726 1420.650125 979.8625329 8102.129178 5997.419905 1108.224434 2722.767294 335.951399 68.3343127 12150.21326 7522.41621 4171.022084 420.1282198 55283.26237 3755.77902 18108.53958 1647.117333 DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER 204.2694922 4.07813e-08 486.1194003 217.389871 102.3110843 405.0520051 496.8475259 64.55734139 844.3987592 58.35920171 4.07813e-08 4.07813e-08 139.2257678 4.07813e-08 73.34141994 95.0976059 256.0007443 4.07813e-08 716.0714519 1327.578391 1485.040921 196.6469009 1146.612494 2189.259252 857.91908 2404.201799 1771.418965 4.07813e-08 93.64010086 336.4222909 194.1558836 4.07813e-08 84.85749058 403.1414236 4.07813e-08 4.07813e-08 299.096928 567.9219053 833.4487044 2107.763031 891.3253264 1243.324579 1876.989971 2502.076565 1779.654158 2033.664176 1126.492831 846.5965939 63.29212024 74.10738229 692.514765 310.5551869 114.6043479 480.0895038 2-Isopropyl-1,4-benzenediol 1294.467649 1371.834901 1627.691795 1645.618359 2197.104199 1396.45445 1685.619407 684.7778134 1200.413966 385.5480279 178.5275991 215.7355286 320.6385746 294.8905358 225.9083767 158.724189 206.6425874 262.9736662 1494.074983 1841.705398 1807.301632 1575.601939 1628.330979 1686.341809 1592.663692 1591.193249 1747.746064 4.07813e-08 46.35304828 373.243676 188.088329 193.0033575 187.4223899 828.5573178 159.8363624 509.6502109 1124.561216 1246.582672 1258.818372 1382.880415 1222.670767 1757.688417 1702.765265 1546.581935 1547.438267 1878.986805 1495.158127 1544.041709 1135.488095 1942.366633 43.68094809 1759.731885 253.2425144 1389.101009 Curcumin 111.8381474 859.7862165 314.1595936 93.20158497 287.4448259 8618.767229 17766.38505 89.49486077 114.3731128 195.7911867 4.07813e-08 364.6913314 457.655997 102.3948069 4192.266979 4.07813e-08 4.07813e-08 4.07813e-08 75.7728115 714.531837 210.9846679 4.07813e-08 245.0411114 5198.278748 5975.732725 319.9319612 82.69994058 99.68013071 360.8322292 4.07813e-08 258.6672852 133.9159105 1263.697544 400.0780647 4.07813e-08 4.07813e-08 101.883907 4.07813e-08 11.59515658 9.168487245 72.8968116 4.07813e-08 6051.910391 123.1769637 209.9866621 218.3480199 4.07813e-08 78.68317053 4.07813e-08 4.07813e-08 1396.270371 202.296293 389.3816736 4.07813e-08 Sandoricin 847.3560903 257.6637306 239.7208585 1060.340043 286.0258239 1257.365873 470.9042637 1757.829877 953.1725557 4.07813e-08 4.07813e-08 505.6268896 4.07813e-08 4.07813e-08 4.07813e-08 22.7778003 20.107925 103.3293258 9395.942176 7224.887176 5532.566504 9181.60059 10793.80608 6994.040035 8138.962674 9646.033949 9029.047137 4.07813e-08 4.07813e-08 236.899317 4.07813e-08 843.0769735 150.5252604 4.07813e-08 4.07813e-08 171.4609428 3290.127008 4491.704318 3594.269101 4601.18905 6743.02936 8443.85505 5185.175293 6970.532998 11339.37031 4402.502801 4139.365239 3163.626591 2210.645263 2156.909662 4.07813e-08 3050.171836 4.07813e-08 2904.142116 Methionyl-Histidine 29922.99488 18533.67578 30193.22842 35296.52836 47711.59761 37007.83447 32975.12558 25054.0691 21141.9723 528.6401656 653.0210357 72.82925934 256.8738367 574.4763261 318.6930058 313.488945 1137.575641 463.1973529 56473.55884 53678.91181 49903.74011 51750.7219 64954.60704 59416.91982 47126.0184 59692.36751 48592.928 1248.471575 406.6053365 706.3481586 193.231463 859.0117466 407.1159458 407.7330769 1260.539739 1184.022368 24683.67506 40699.84364 33106.45851 52231.71142 59537.03023 56588.46578 53212.81573 54890.41601 55003.7585 36667.02222 31860.20903 33202.2119 29980.31662 21375.42311 1404.07835 36896.13075 279.1799413 40307.87857 2-Formylaminobenzaldehyde 338.9158195 550.827678 361.4313412 237.1286931 316.0655922 321.1048786 370.6550164 289.2167851 343.0412067 232.093851 138.483717 49.34281611 80.79641953 62.48249323 99.07196377 4.07813e-08 84.53651253 4.07813e-08 205.7105473 450.6066188 467.2266111 117.5568783 50.79797859 49.51058147 129.6450652 121.3036006 553.8882554 55.3143299 98.40393523 53.56621467 67.30864999 4.07813e-08 117.6281262 111.751202 4.07813e-08 4.07813e-08 503.0079692 270.1246879 285.7045824 118.339591 249.9680171 200.2562416 146.1456603 382.5143955 491.9579264 178.5803135 286.0220037 322.1440304 259.7795396 416.2079614 194.1095743 280.5149096 64.53975134 352.0721578 Methylthiomethyl hexanoate 69.02910178 637.8488784 4.07813e-08 4.07813e-08 108.6361365 4.07813e-08 189.0989542 93.68830483 4.07813e-08 7234.604532 9339.331463 5137.522136 8650.679673 3711.905052 11502.19799 4108.330445 1639.184545 3424.714812 84.9252263 315.33628 378.6714026 47.84584043 4.07813e-08 1352.485669 79.6512569 37.94985611 637.674205 2357.88458 5492.760216 4639.435044 4352.009089 4192.147797 4365.660859 5453.613028 2488.364579 4439.955603 218.9872808 86.90998583 129.2244966 1246.873162 164.4330381 4.07813e-08 2539.533843 195.5598941 53.54508701 272.5657316 101.4066874 4.07813e-08 95.26916069 4.07813e-08 3538.065419 4.07813e-08 2710.154548 53.55981041 (3-Hydroxyphenyl)trimethylammonium 96.63670874 124.9668498 258.24605 257.0712687 319.5494841 41.12917322 4.07813e-08 130.2894518 154.6770846 4.07813e-08 4.07813e-08 37.13771321 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1400.250006 931.7098181 686.8005171 743.6681342 525.5363828 574.0397484 467.029909 1875.935713 756.5260403 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 273.0765788 670.1491977 501.6895096 1088.125918 1215.560972 730.7554993 736.5354797 2027.66176 843.5949184 147.7470907 92.19136889 521.4306431 597.1652635 392.4175693 4.07813e-08 660.7257002 4.07813e-08 313.8199134 Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate 2977.514062 3199.364175 1788.529792 1990.891256 1250.281017 4.07813e-08 1035.491496 2650.37827 704.017288 145.6611312 3064.293712 12.26508884 229.1702002 4.07813e-08 0.68326043 2156.014947 20434.55754 0.816114259 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 303.1921807 4.07813e-08 917.0078374 4.07813e-08 4.07813e-08 13642.07219 98.52219621 7917.981873 3.460214585 8884.477927 8317.251384 283.1710916 15262.23251 880.2436127 379.6218482 1335.301019 739.5049048 1252.204173 4.07813e-08 22.4223548 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 698.2997569 1591.663658 528.6521899 943.4869072 366.4384171 2314.543394 138.7713789 4-n-Butylresorcinol 909.1926876 615.2749635 1215.409849 1033.922212 1423.218724 1316.456359 1212.144921 850.2046772 721.7763445 234.1936212 204.3175283 104.4277779 80.79478481 174.9845449 100.219698 51.76548592 4.07813e-08 100.2518751 1444.976529 1216.137282 965.0925505 1224.488426 1155.493029 1782.413042 990.2757221 985.4726518 886.5827815 4.07813e-08 4.07813e-08 54.22914896 66.76607578 4.07813e-08 4.07813e-08 222.5666261 47.41210743 179.2651524 1283.905568 1408.600082 1258.09073 1120.786953 1127.41322 1253.640341 1608.913779 1157.272478 1232.702303 1577.342635 1191.457343 1351.347931 1036.933273 969.2058204 104.0365143 993.4162685 165.347579 871.5731969 Fluprostenol isopropyl ester 92.37132104 4.07813e-08 4.07813e-08 4.07813e-08 331.25908 324.2588615 4.07813e-08 76.14963552 6.143856581 35065.92909 27963.89202 15137.70868 34817.67758 11627.5842 21831.63299 6585.81783 14693.95615 17333.29232 437.9754171 4.77887185 66.58485785 11.5131862 74.93288193 8.795900599 46.33690298 45.36209402 57.05835569 10498.05972 19351.95366 12900.98844 17828.98605 29382.43153 15696.25712 16967.87007 7391.881225 13278.66625 4.07813e-08 153.3791456 42.80658516 4.07813e-08 198.9889937 108.5551575 4.07813e-08 4.07813e-08 23.15339345 684.856081 66.10338161 4.07813e-08 110.9127139 4.07813e-08 27931.4858 92.93201628 19594.50599 103.2035935 N1-trans-Feruloylagmatine 3137.417395 5044.812226 4277.67604 2346.995326 1988.318723 3515.854838 4267.4401 12.48700816 4129.450235 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3590.103022 4141.680777 4946.440292 5102.502909 8297.492945 3686.924426 7234.699871 67.96036907 301.5292434 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1462.139881 5016.703862 4594.521583 3454.548245 5478.077934 8244.094653 2432.88068 0.086942967 275.0617174 1378.527792 1714.630839 5869.934792 2694.44115 1251.765143 4.07813e-08 5279.369369 4.07813e-08 0.233214441 2-Amino-3-methylbenzoate 1123.450914 440.7982932 820.7610617 1145.365435 1572.935656 1079.764622 1138.149053 1114.382575 912.2207657 99.0087638 47.85861832 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40.58142196 1220.183952 1073.875586 1453.315641 1342.899696 2649.618932 1360.574825 1660.688735 1100.881595 2340.487127 4.07813e-08 111.7328759 4.07813e-08 148.2267073 4.07813e-08 4.07813e-08 119.1237166 4.07813e-08 4.07813e-08 1064.601486 458.408156 613.2435848 2023.35582 1604.386996 2296.374036 1379.180106 943.9464555 1223.357309 1542.630113 1275.735363 1410.365941 1616.989077 1707.799704 34.58316824 1982.501994 48.56246142 2283.199215 20,26-dihydroxyecdysone 9340.228568 11924.02595 13280.50057 11278.63997 8740.694856 6356.624734 14383.73294 16071.84775 8071.829316 6024.380796 3411.301454 25618.80664 7146.172601 23443.7417 44235.8064 7410.926922 334.7767929 51433.76696 6408.062766 5926.016817 9207.188327 11507.44701 6425.887897 4564.258302 11278.92476 4215.999336 4675.015671 1148.965549 8554.109082 2753.473646 1820.172838 1485.242345 9932.447882 5689.708172 691.6686059 5655.787234 6866.297109 6212.982181 5878.993916 16743.18141 11848.76599 10235.0645 5826.42858 6044.025648 4989.171161 15151.25975 13793.83282 11231.57788 10677.79817 6312.138539 6834.744272 9098.576836 2786.509505 7459.400104 N,N-Didesmethyltramadol 580.8423462 70.63286359 77.47212288 325.5365549 361.0313493 243.7842588 601.8763861 533.1609831 274.4739349 4.07813e-08 0.727516199 4.751961907 4.07813e-08 0.943386737 5.38956354 2.121778113 4.07813e-08 4.07813e-08 913.5203552 2133.20013 4.07813e-08 4.07813e-08 1835.014758 2493.686818 1457.796429 349.0962936 2099.295812 0.4761601 0.424374193 4.719613139 1.445332473 5.756978661 2.626775964 4.802357204 0.011638207 1.871803041 1162.896266 683.125821 163.0237066 260.3854285 464.35996 1275.364031 3394.616591 606.1819915 510.4868603 1406.309141 1387.573747 522.5335564 137.7421926 188.9084594 258.7831659 775.3178789 1.667367116 1988.515966 (1S,2S,4R,5S,7S)-2,5,7-Fenchanetriol 2-O-b-D-glucoside 1328.474071 1338.032399 1649.842321 1484.998106 1143.36098 1728.266696 2376.753705 219.1236412 1567.871936 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.80533809 4.07813e-08 141.1124379 4.07813e-08 1969.108277 3081.349358 2014.748519 3149.096045 4011.073692 2362.948395 3500.422427 272.3969453 701.848682 4.07813e-08 4.07813e-08 94.1830326 4.07813e-08 104.8099844 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 870.4033761 2718.653585 2209.721044 2070.830672 3001.548272 4487.682291 2673.499663 589.7123725 1373.786954 787.8721178 1026.106203 2805.82506 1642.16948 685.9323372 4.07813e-08 2616.996085 138.0422652 258.1896767 Etiocholanolone sulfate 18961.41413 17541.2176 14817.41117 14172.24216 14508.9374 17366.73947 18458.36252 25397.8809 23462.3192 3878.382489 1758.392155 2339.374989 2952.057221 2092.385714 3990.147145 4.07813e-08 788.5844628 6649.770426 64445.10616 61042.57796 55694.02976 54444.14075 65106.44835 59769.94536 54863.57866 63872.8337 54847.62157 4632.144114 10836.16381 4999.122236 12194.80092 18075.78422 5948.436477 13680.66317 682.7659257 4950.580351 38994.84856 49481.17319 38182.86751 45772.87314 60503.52244 58723.376 52059.16264 54775.07729 77763.07033 38932.99262 41630.89377 43665.79177 39280.36476 30331.93403 36392.1525 39084.09528 22933.19848 44945.88699 Epiandrosterone sulfate 11729.07614 9597.161564 11245.78683 9526.37334 10391.29807 9572.011762 11695.68262 9647.223821 10891.81931 3887.993356 1882.655461 2358.942095 2838.48165 1962.233241 2711.725989 961.997875 4.07813e-08 5235.069941 44943.336 43468.12788 34390.9032 36709.6354 46881.29738 43046.86914 37238.36472 33893.14632 37819.28618 5026.207495 8770.397784 2238.01561 7304.163401 8285.182018 3053.617572 6707.623012 0.211965926 4027.609275 25065.00667 36124.09514 26861.1151 31784.10083 44032.75204 43215.59728 39024.64624 29590.41435 51880.1095 31002.13887 26904.00436 31706.94257 22235.15028 18695.01774 11825.15079 27878.18656 6982.132325 27492.12645 Dihomomurideoxycholic acid 6327.23259 17023.10503 12382.84666 12448.14728 7855.851493 11817.56157 25753.61278 12522.33635 10178.6915 2706.956486 3389.407536 10566.48122 3793.937675 10671.70035 11848.44089 10980.61093 3889.569152 8443.696609 10014.96033 23121.16579 17710.17255 19439.75635 30765.30527 20397.09929 25597.93592 12701.51208 26736.07648 10508.52991 6362.292135 3035.571695 3898.338516 5151.351248 3014.84303 7021.85395 8276.563657 1837.08951 5489.671298 20818.90731 16009.97849 27238.29914 24092.76467 20843.72234 18737.99958 8910.708804 25836.46604 60649.06699 17597.93191 46036.77781 10896.45437 14211.43193 6284.709108 18417.22562 287.2820677 22634.94174 Lactaronecatorin A 2473.215643 834.2228189 1881.364993 1820.60143 2812.239704 3553.26291 3466.600351 628.5677165 1600.25906 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5323.330726 5548.855045 3645.4875 5240.725942 5485.355363 5444.773035 4880.681733 587.0703632 1622.776149 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 72.22170615 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4203.010517 4910.044024 4130.982846 3599.957633 4471.407751 5970.350728 5629.386537 1282.705638 1876.209648 4867.009363 4000.919544 5330.484454 3833.236751 2598.268854 4.07813e-08 4786.318316 4.07813e-08 1891.066742 p-tert-Amylphenol 4556.544766 708.2003058 1403.07934 1035.83668 1050.697785 2742.389777 2250.999898 2390.83356 1777.850801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 348.0557966 4.07813e-08 4.07813e-08 413.0176986 73.21132453 485.6783538 1173.620066 537.3317717 934.5765046 328.9918258 4.07813e-08 50.01923459 35.59332799 4.07813e-08 222.3490075 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45.81596338 70.15860655 2126.368402 799.6022646 1089.529987 515.9112531 782.770373 681.2014385 1017.526404 159.6831099 79.57806491 373.1749755 1546.537997 2438.972593 1834.149278 2326.111708 81.6271346 1603.751121 4.07813e-08 1658.091441 3beta-Hydroxypregn-5-en-20-one sulfate 22232.38946 13288.97707 12051.86709 12331.33176 11260.67542 16746.64573 23614.54955 16681.15736 17052.19393 5526.303061 8148.812532 1784.961776 4783.781594 758.604716 3910.610427 19427.98329 9921.77694 1611.663889 106202.962 99537.86863 73384.52975 84996.16618 105431.5468 93680.60863 82451.41011 93632.14979 86395.5555 24093.23399 15445.76465 8041.778846 11855.50263 28177.09053 12383.18918 13313.10184 8505.32774 1345.698423 52690.10946 80324.86175 67891.00213 75241.60007 99754.74373 88599.80843 85541.38884 76610.62262 125567.5301 67590.48156 61637.98193 67473.27157 51204.80674 37834.66154 30392.09542 60106.29952 35562.7532 55668.72308 5(S),6(R)-Lipoxin A4 methyl ester 13532.61626 9097.069554 12085.37397 8404.113706 8711.08569 13841.89831 11331.24059 11174.62229 12308.31265 2178.117834 1973.87867 927.3247583 2444.505037 675.668986 467.0078454 4.07813e-08 131.206043 1635.84292 25282.91346 26010.97013 19041.41476 21142.43721 26504.65765 24869.44566 18745.25888 21911.32242 26058.94292 503.9430198 1200.347885 1342.29744 782.5186531 3071.769844 370.3092673 1070.105092 470.1103968 1217.799713 14509.80591 20096.01914 17059.01527 20691.58392 25842.5973 24564.31078 23478.24708 19518.02647 34345.10607 19049.76816 16282.37267 17103.66193 12857.25997 9623.201266 3141.480271 14134.46061 1743.436608 17933.17476 (R)-lavandulyl diphosphate 3949.386769 3458.145772 2436.654108 3476.447579 3290.207359 3238.544078 2363.866655 2773.158373 3369.465716 2108.195201 2653.262991 2048.441725 2844.951353 2859.710191 2074.787898 3058.301763 1792.992187 2489.587566 1941.626067 2574.568594 2247.326933 1819.921918 1790.827391 2947.843236 2584.058981 2976.64531 2136.908812 1412.609367 3612.403396 2098.345357 2938.133157 2422.457651 2237.018778 2609.295082 2703.19064 3026.128832 2488.902325 1971.523005 1839.023989 2244.56546 1251.67303 2028.918356 2927.082329 2741.37605 2383.250933 2897.431841 2955.88828 1917.216126 2470.149941 1999.008451 2635.328754 2149.914445 2919.333941 1990.758534 (3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol 1118.888592 2100.258547 2601.477241 1315.305236 699.2462351 3765.264975 1517.122842 1273.567394 6058.465877 485.6311337 339.3768463 119.3038156 327.4325045 4.07813e-08 4.07813e-08 4.07813e-08 181.745272 591.2574397 6236.123784 4606.172216 5084.902985 4786.636134 8445.324423 8505.714606 7425.054639 5410.413642 4528.880593 4.07813e-08 161.7827148 524.8683222 4.07813e-08 4.07813e-08 4.07813e-08 162.5405732 170.0651424 4.07813e-08 2702.083445 2910.958815 3153.150955 2618.598543 7225.764252 5446.270668 7461.776248 3420.452013 10498.46225 9356.690912 30288.11711 4039.420943 1947.399691 3046.486798 1960.774346 4284.665467 1188.59933 3547.474065 5b-Cholestane-3a,7a,12a,23R,25-pentol 4.07813e-08 1867.060049 1158.314611 2149.672965 4.07813e-08 3231.434451 3651.834174 212.0191142 659.456269 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1170.489766 4.07813e-08 648.007509 894.5517875 8862.326644 7552.53072 1857.801008 580.333471 14493.10096 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 552.6641097 3536.259337 2575.494437 1974.963528 2886.134192 4861.172956 8088.906622 221.7851572 7346.412611 27807.29541 1527.779367 3289.542863 1383.249954 703.2781509 4.07813e-08 1578.387092 4.07813e-08 9899.232794 3,7-Dimethyl-2E,6-octadienoic acid 2454.384837 2010.097492 2294.000222 1531.894912 2491.404906 1855.273774 2072.008197 1983.455245 2137.500764 1564.661299 1299.920245 1168.589001 1871.951082 1802.392125 1562.675492 1788.300871 4.07813e-08 2019.573762 1824.950885 1385.707663 1188.79147 1381.449811 1411.150096 1615.051141 1286.147114 1623.658591 1520.372649 624.940345 1362.28934 1506.967705 1752.3164 1354.249385 1423.360326 923.6732427 425.6828501 1852.422332 1216.702337 1333.706486 1900.583637 1393.075201 1046.970835 1354.257966 1478.28273 1897.787709 1511.310567 1280.055581 1923.918085 1597.064003 1832.888922 1612.976076 1146.403636 1431.156431 1362.7153 1935.2227 Sulfolithocholic 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 32034.89494 30189.31189 18432.87195 19771.57596 28295.59554 21858.72398 8620.287676 32554.0216 52320.30559 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22362.96252 31681.39423 19287.25528 28016.97632 32897.86208 17787.53839 19215.43885 12598.99851 13381.12423 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29429.08543 4.07813e-08 59892.37772 4.07813e-08 10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid 18915.30736 10635.29793 14392.96248 16425.4774 13967.68754 18929.52496 18061.84551 10434.8978 9522.659717 4207.939671 3660.261555 110.0021039 2885.306169 295.9284426 386.2547631 331.2839889 1524.647847 1552.207245 26275.28311 29407.01039 20779.79266 21728.76603 26995.39779 32946.84907 21057.923 18733.31239 21861.05358 842.5387217 2510.420676 944.3419756 1746.774805 1656.653214 333.183073 952.7635865 606.6547494 162.4687725 14905.27595 23659.63211 17510.90643 22021.04174 29957.53232 24203.76677 34828.90282 16098.71402 27764.38806 20467.50147 14753.51467 18834.18344 11801.35418 9599.054275 1091.225698 15777.6997 9837.338071 16393.09655 9-Decenoic acid 4490.288247 3684.85656 3702.916978 3468.701558 4310.076662 3732.953178 3596.895338 3384.951104 3403.526222 2360.439287 2471.850907 3168.455465 2678.297403 3401.09921 2382.237039 3785.644098 2676.361941 3255.922901 2682.695068 3102.626174 2709.988503 2904.144191 2708.942168 2406.777745 3319.58726 3354.11654 3216.665328 3057.83126 3185.914138 2824.944887 3653.935583 2807.725999 3024.608898 2706.597089 3011.998961 3474.632315 3314.299225 3253.626029 2591.125584 2757.517428 2525.322618 2550.989284 2897.896129 3481.638169 3059.851017 3524.052445 3296.531766 2703.508496 2949.288351 3322.501526 2390.598709 2495.171758 3040.497881 4307.77743 Sodium dehydroacetate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4439.286896 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1216.680052 1685.777755 866.3564938 1960.42712 2442.879702 907.484574 9324.163125 2574.96102 3256.7544 314.2784503 305.4146337 396.2075902 235.7037724 2620.718901 386.3709671 542.0462733 4.07813e-08 2181.585071 3951.789271 1844.000263 6283.773321 3046.907377 5248.988616 1081.627956 379.2699959 2681.461753 4024.320977 4.07813e-08 135.9727343 4.07813e-08 1497.092447 688.7718597 1972.949684 1331.304027 4.07813e-08 321.4825503 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 846.974691 1121.275703 289.4161476 2678.26028 286.7866203 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-hydroxypropanal 2159.868761 36495.80548 4.07813e-08 783.495031 4.07813e-08 4.07813e-08 11854.81421 22510.56235 4.07813e-08 15495.06951 19901.00862 15332.38902 10790.14451 9562.751476 9664.549522 14843.69553 1151.051317 8039.211281 4.07813e-08 4.07813e-08 2427.918013 0.94442974 4.07813e-08 4.07813e-08 954.3003392 4.07813e-08 4.07813e-08 4.07813e-08 8354.573241 20386.54661 1525.36977 17975.33467 20265.00556 38615.4861 6066.131748 14546.91057 29923.05952 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1251.700841 4.07813e-08 626.723825 4.07813e-08 4526.944549 41992.89131 5503.756107 123375.9857 77096.09786 12569.1982 11293.55845 22187.42083 16785.6516 L-Iduronate 2-sulfate 898.6775423 7443.95081 4.07813e-08 228.730762 97.15386161 77.75482234 259.8136284 948.0824655 1584.816277 43545.69143 39354.92167 9109.338879 61825.90888 8925.91709 5544.451002 15966.1937 17718.12945 6881.440495 4.07813e-08 4.07813e-08 75.35971942 4.07813e-08 4.07813e-08 4.07813e-08 472.3515298 211.8541996 4.07813e-08 10161.89652 9881.095502 25006.29266 9850.46434 7271.903748 12065.23589 42299.58384 12684.45067 51125.78039 969.6131529 4.07813e-08 4.07813e-08 145.4382059 59.05177454 4.07813e-08 412.7397645 378.5314173 4.07813e-08 775.9084221 447.5051192 367.9998837 90.75481285 599.5593538 19725.26649 63.52613194 44462.53896 1022.331971 Lacto-N-biose I 23583.70823 92238.4932 14195.17341 27158.76709 31236.35397 24955.23915 85758.18734 63684.9918 41663.36472 3372.524964 6072.994536 3489.880792 3058.775247 3704.395511 4118.272236 2357.942503 7765.525519 2257.411617 19053.35945 4460.843994 28354.65898 15454.67289 22167.16773 13880.18393 30241.78443 36386.16015 28146.2941 5408.250459 1572.791683 6671.081295 3788.674935 8197.120313 4183.794185 3502.966403 7226.682905 3924.717833 41032.98939 17687.87891 34478.13224 22757.747 21117.1277 22254.56165 16816.51954 53474.31263 14688.63506 37065.3495 38576.8168 12451.06856 117024.7781 52129.86795 2096.342091 33543.79101 1819.360833 25262.9292 Deacetoxycephalosporin C 9554.576321 103480.3041 24018.95025 33387.79791 3144.518105 29202.24869 43483.83862 75763.72636 43001.0847 77933.84109 25229.41443 41374.70981 77963.29655 58761.19406 56801.13256 34081.81053 38631.16088 506626.0095 1973.396741 4.07813e-08 7937.703354 1253.165717 4.07813e-08 3112.100445 1056.932351 11221.58307 10233.30991 7972.374246 19899.00379 72994.94923 55203.84241 41523.24057 99722.37499 81444.49646 51756.40102 112383.3968 7939.874163 18764.54879 11763.8082 11811.35336 4.07813e-08 1651.614718 1136.063708 14908.62076 13775.69718 11942.26519 10410.28491 4570.54183 38078.17238 30664.76778 231364.3652 44574.08339 135413.6295 35977.2233 cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate 3041.841635 5900.576714 1820.016124 3148.65261 21133.99411 28843.86387 14215.58841 10876.70598 3077.469128 4634.333656 6395.410484 9679.400446 5149.170107 14714.52393 11361.66259 8896.510454 3792.054487 8954.271874 794.4273096 719.896441 946.3639382 8183.509782 6101.170693 5611.409466 3798.451177 6388.849248 5735.826608 1501.492608 9839.769584 12479.34019 13673.55292 8921.731923 8936.040497 7229.497367 10146.08453 16217.29552 12355.84465 2976.079675 3757.587387 3532.954674 6217.969969 6874.335222 7227.953471 6442.246598 4344.235601 4693.186477 3653.917366 1687.43644 7745.05636 5372.729522 12843.4449 3917.547332 13540.2597 7026.841936 S-Formylglutathione 2270.919547 3268.373072 1501.692451 873.7638784 1394.843575 622.5446337 1229.618963 1729.337877 1413.311263 1831.578145 2674.864924 1207.299215 1788.16256 1171.222056 1830.337821 916.717422 1195.702061 2053.494642 3090.704563 1735.636262 1353.809013 2727.817482 3114.683298 2330.066984 3088.155459 1135.269417 3301.693907 2914.347983 2134.59018 2865.156758 2175.96896 4266.650406 2362.281281 2290.808041 3281.171031 3716.809103 1882.63756 3554.361608 2132.672036 2208.804306 2908.079503 3412.311032 2825.012526 2048.916359 4857.499419 1981.116184 1978.141381 1719.09857 1915.77466 2291.238278 2436.967824 2360.83153 3783.756877 1519.592137 S-(Formylmethyl)glutathione 901.1779442 779.5617057 843.4327004 1172.243625 769.8896504 834.8887119 1085.647098 2168.306131 1017.518534 121.1893395 99.4550629 70.57506825 143.4721067 75.29839063 728.7827738 4.07813e-08 60.22617273 296.9066547 1759.819076 2327.302308 1449.813 1498.235307 1741.527343 920.8832723 1403.411069 702.0051025 1829.907134 313.2043311 542.8352356 92.66028226 175.6123135 304.0498613 133.5761302 34.66704165 4.07813e-08 181.2980658 2518.239543 2567.234131 1639.822927 1759.236688 2132.779103 2154.5799 1425.153701 579.4090241 2392.827171 1285.312047 1101.938351 2730.632694 2446.60472 2528.303092 67.0538313 3255.3976 4.019811045 2242.584563 Malic acid 2815.342214 4655.361805 2869.680613 2670.193531 4465.637956 1214.363487 2909.45508 4124.986446 1766.895125 689.531661 288.6827234 1462.266656 422.9252038 389.582589 491.3350669 538.5409394 219.370889 596.5424127 1124.101159 1318.25352 1349.440236 1043.790734 768.1665041 585.7216605 1360.936322 2582.260936 777.0792384 507.5715803 1236.602742 1234.097582 4467.568404 626.8128281 855.9492468 1991.648737 752.0106112 2343.230193 1571.563598 942.6274359 925.8650983 880.108582 856.9314206 1795.59191 494.5879272 2544.716089 939.5223562 1306.158598 2641.782314 1607.710373 3888.843784 3214.142997 1474.512306 2757.537296 1489.867154 2335.663178 4-hydroxy-3-(sulfooxy)benzoic 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 1813.871434 798.4312696 3708.790184 3652.900294 1154.84618 6937.525675 4428.801588 593.383265 9111.675592 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4156.611063 2053.742973 1408.592963 3379.408719 3221.625271 8351.649398 5269.062137 2492.967692 2955.104609 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1148.013611 4.07813e-08 1985.734144 4.07813e-08 1,2,4-Triazolo[4,3-a]pyridine-2(3H)-propanoic acid, 3-oxo- 4493.124546 5189.092291 2911.512495 3376.137796 2556.3318 2617.031247 4690.661708 5179.288713 6360.308156 2723.670849 1979.041016 3741.052241 2816.581606 1925.50349 3541.169765 939.3925318 1252.950671 3664.24211 4438.447057 4802.415226 3950.974079 2522.526822 3933.773776 4593.113636 4001.471065 4228.766197 4672.269304 4118.216618 2527.057952 1921.225045 2906.017092 3174.867253 3034.222876 4769.499717 2545.215981 1797.047177 4366.73466 3394.481964 3435.519673 3819.474997 3302.941062 4183.323534 4101.542162 5692.816558 4336.336229 2782.591004 4182.274804 3856.566529 4405.650866 4981.901355 3863.786891 4560.414975 3641.537728 3751.716373 Gamma-glutamyl-Methionine 5175.868477 4855.469385 2808.350181 6954.309613 2808.476456 3476.407377 5944.319205 6292.368342 3399.399465 870.497762 708.5114567 561.5056626 829.1864214 4.07813e-08 621.5598756 466.5274287 394.2500092 629.2564147 973.4659163 1596.100888 1901.070585 807.5119155 1032.365163 1197.33306 831.8130811 628.0013348 650.3992604 394.9122036 571.9940148 78.3346901 339.9483493 517.6314313 334.5301934 602.2632924 324.5443667 398.8549955 2275.520667 1427.778291 2295.054848 1581.639627 619.8345162 563.9458408 1170.119894 449.5455395 872.0504553 791.0337012 2279.700224 1170.680635 2706.04207 5313.399341 226.6639116 1379.6544 471.4910762 822.5601849 Cysteinyl-Aspartate 551.1610008 548.746577 345.8439273 105.0095326 216.2474979 318.458021 273.8122375 888.5084779 590.910123 1386.281178 752.1140852 578.981004 1578.257704 327.9352537 531.8850106 43.46145043 347.4423055 1160.125587 266.1354817 415.3697484 50.5082188 110.9326654 306.8591993 297.9968611 122.5431207 468.4300362 423.7566371 374.2896834 292.2771764 336.2381179 143.2509536 563.4036262 336.2618067 322.3870244 4.07813e-08 117.7289673 250.7084326 264.8539622 158.9804348 173.5064528 258.4751942 96.28865705 261.6680069 258.1606841 591.3298245 168.1342925 128.0933625 254.9962424 244.8409685 200.9773067 1001.03368 251.8430075 139.3345054 348.2964541 catechol disulfonate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8035.910887 4.07813e-08 4478.745764 8926.781455 12349.19826 12152.44581 9381.766744 5808.552564 132.747532 5.578367681 14.57353182 4.07813e-08 40.29369236 6.965524889 4.07813e-08 23.13145248 4.07813e-08 11.02320559 13604.96755 12661.40855 2974.803678 15104.54196 1770.879604 36501.19749 31074.7796 19963.00819 18610.00749 11.93259803 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38.58017505 149.0751127 4.07813e-08 26.79309478 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1955.192844 4.07813e-08 2269.042631 4.07813e-08 3-Hydroxybenzaldehyde 979.281275 1668.754262 1365.627011 1057.005161 615.6352039 628.6340011 1052.55642 1397.652531 1372.892002 1073.194959 1314.263919 1253.186622 1475.069106 599.503636 794.3188834 568.5675054 794.8422974 1953.476882 1362.736026 752.8093003 1222.153387 722.9808333 292.1322681 852.5266558 636.186742 2306.298057 764.9211888 926.2920769 1024.310369 1465.719807 1333.711753 1315.349784 1050.553173 2059.740693 960.278045 2280.818654 735.1172506 865.4813713 1033.333619 609.6914492 573.2121795 402.2085317 693.1336877 2508.392698 828.555297 1043.56368 1190.268496 694.5762527 753.0883001 1445.381019 1797.132481 665.2164614 657.2752575 694.2622225 {2-methoxy-4-[(oxiran-2-yl)methyl]phenyl}oxidanesulfonic acid 2546.452009 7052.959535 2078.117387 3761.460314 768.2904458 1682.819052 4215.132469 3804.32829 1510.782913 3819.326836 4181.660276 4481.157784 3687.938126 3524.854547 672.3587394 1428.027621 864.2468226 1868.963432 190.4040187 661.4210728 203.8024514 206.5109611 453.017387 195.4270302 654.0358238 0.071342966 65.00610931 1096.900676 4435.898562 3754.623022 1687.580077 4436.766383 2422.353442 2451.417507 786.6162647 2013.080189 6566.566729 126.4829888 221.252481 179.97122 344.2086128 598.5655315 4.07813e-08 4.07813e-08 660.8805335 75.23930518 885.8728621 1477.738476 2121.708454 2815.843207 2876.070093 3337.803903 1507.49813 2735.196016 Isonocardicin C 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 194.1468154 765.997883 4.07813e-08 4.07813e-08 44.66810586 10.30724766 1.048338452 0.966015488 54.0254499 28.6766923 4.07813e-08 47.13712151 4.07813e-08 4.07813e-08 221.5480762 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.011673105 4.07813e-08 4.07813e-08 4.07813e-08 2.345297961 4.07813e-08 4.07813e-08 4.07813e-08 149.1098177 4.07813e-08 0.140865882 0.963782828 1.643809465 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.393737137 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 64462.5304 4.07813e-08 13996.25239 1809.822607 Tetracenomycin B3 4.07813e-08 120.436182 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4436.771141 2713.413839 2653.559337 5310.231969 1928.786882 3576.290061 2961.85122 4004.898462 3908.443852 4.07813e-08 4.07813e-08 1.970927621 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3295.232034 3812.276078 3633.582982 4420.903006 3654.270305 2074.183015 3456.675427 2214.164946 3493.770311 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4027.448987 4.07813e-08 1674.06599 4.07813e-08 Norfluoxetine 4.07813e-08 419.3167851 923.0436863 812.6712235 1156.668817 5674.584027 3072.029204 4251.469959 3295.10541 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 375.0685311 4.07813e-08 4.07813e-08 4.07813e-08 1552.004276 7587.746339 4654.493141 2743.870029 4893.420539 6857.371414 3553.457439 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1551.377281 1338.369452 1940.781447 2979.508835 5094.696313 1543.331271 5829.303897 4.07813e-08 4.07813e-08 11438.1891 7622.80518 8157.977939 3148.706552 2371.220604 1305.690698 3679.305768 4.07813e-08 1265.628462 9-Undecenal 12513.89245 10835.25416 8915.588732 10676.88728 10555.10061 10681.39195 10715.78397 10161.80003 10185.29367 8536.380229 6949.056701 7964.576224 6977.161629 11554.83343 7901.685289 11130.17308 8392.1098 10102.30525 5889.503634 7605.018109 6228.612942 6913.053075 6448.738307 6156.259806 8441.790308 7987.51531 7061.592566 7693.56736 9331.286288 10568.90017 13167.51756 8287.228832 9309.639154 7808.181912 9473.140937 10891.22569 7522.621337 8113.593303 8793.479424 7174.688214 5238.940979 6965.202017 6593.785367 8941.478701 9009.487168 8172.449464 9752.420597 6830.563798 8737.8795 7627.892169 6847.859936 7879.153825 8688.20581 9121.247586 (Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide 231193.5676 213974.7091 232325.578 219812.343 221743.6789 222696.5974 217743.3059 211244.4723 225079.7502 170895.4419 158641.1743 166715.2397 163950.7265 186068.1514 158918.5531 205685.0995 151646.0501 199504.8748 161487.1756 172703.8576 161292.7954 177531.471 173603.8675 177843.5038 176256.0488 198938.6702 181921.0166 155695.7992 177461.8386 176404.1019 211534.2234 161180.4095 166478.8136 159075.7338 190325.0366 209974.9902 196565.2962 175168.5448 177904.4209 160155.9729 167487.9417 166749.3811 180898.6012 188601.1978 199524.2693 205037.8803 200023.972 183602.4428 191493.7063 174145.3967 146342.0002 187045.9168 178154.8622 217076.7061 SC-514 227646.9208 214649.9071 222219.3349 219912.0911 213841.4017 214706.0362 217801.0632 211694.9355 228574.0888 168699.3138 152440.7139 162009.5062 163033.02 182008.4477 151514.3633 207703.8166 151562.296 190710.4572 162672.6123 167245.4365 153035.6838 175866.2526 167789.6705 170847.1577 173280.6342 191794.6173 179216.2666 141309.6808 174845.5078 171175.0925 209690.5232 153651.2376 164842.6988 153919.7492 185573.056 211183.7566 188162.7867 161608.8671 181069.7079 156775.7027 160494.5107 161786.9023 170444.9535 190728.8099 196626.5477 203196.9787 190080.6868 173805.6033 170771.0925 177356.6538 141951.9894 177011.0981 182232.8124 213761.5324 Octulose-1,8-bisphosphate 198720.6881 179530.9755 197260.7861 193467.7158 201195.8829 183743.7205 191161.0336 191477.1738 189631.5886 138459.372 131890.9472 143674.2546 144072.4578 163492.8124 133388.439 173423.5668 134721.7348 168660.5818 140878.9969 142709.0712 141740.4226 152607.6791 148023.6551 144773.2846 153749.4417 160355.8467 161510.9852 133386.3435 158082.9882 140814.1248 181364.4696 143083.8035 135797.0275 138752.2153 157478.3872 176854.2893 164347.4651 146625.7712 151324.255 140352.4977 142418.9634 144884.1636 152040.4368 165694.1689 168883.4898 167288.2283 161618.3554 153087.9643 163012.8898 154623.6795 121638.2197 158964.5478 156816.931 180824.4729 Salithion 30733.40654 27551.37216 34365.74765 31738.13502 29680.38262 27198.9223 32580.13484 26389.70502 28368.77684 18937.58921 20155.37209 23537.01721 21252.1004 28095.12002 21910.15139 27425.17544 20111.39085 27320.80579 21170.15468 21921.63009 18166.7848 24898.34697 25479.37705 21040.82367 22180.41258 25676.76989 24652.27083 19940.16427 22953.4799 20866.36327 27043.51445 22465.60558 23181.46014 19982.18134 25250.16157 27491.69436 21610.71936 23414.00562 24619.9199 18292.48179 21141.5096 23506.32317 25434.33282 23871.9075 23650.5685 26807.60017 25010.09535 26770.7018 23570.86403 25550.8362 20271.21765 22933.64051 21064.10238 28623.63425 10-Undecen-2-one 2972.797025 2114.303951 2079.162375 2523.371315 2041.990201 2843.309964 2861.902195 2544.176997 2736.37385 2452.254248 1626.460001 1667.294419 1956.619917 2562.363967 1901.288895 2399.950758 1817.96469 1989.089226 1472.680676 1746.183518 1452.586877 1529.329024 1723.683915 1863.393557 1698.418632 1960.280342 1706.43684 1440.192865 1414.09146 2862.176132 3385.14696 1816.108137 2191.221815 1465.73964 2320.993064 2234.93813 2437.648781 1838.35624 2152.648324 1890.039012 1858.091514 1652.130115 1514.893749 1597.412251 1757.538846 2785.29334 2158.267797 2224.722254 2107.090913 1851.070467 1714.3492 1504.706793 1815.65413 2019.481764 Phenylpiperazine 153.4389119 4.07813e-08 677.7093519 651.1641195 355.2537622 362.4414707 886.8563664 4.07813e-08 4.07813e-08 225.6385217 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2606.739842 2246.237076 289.2626179 1109.796091 889.3459365 1598.694322 864.0849518 2900.345009 624.5206899 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 153.0174362 4.07813e-08 4.07813e-08 1621.384605 475.4366291 1480.769975 2137.064369 1955.052372 1181.512224 2016.268914 1067.285016 4.07813e-08 4.07813e-08 4.07813e-08 1477.326355 4.07813e-08 249.4062107 Glucose 6-phosphate 191624.5952 183581.2416 188646.197 197327.1393 195706.995 176222.9582 179165.1039 179653.5207 188093.3883 156121.6655 148499.8221 148208.0868 151709.7935 165672.6695 135294.0414 182557.9717 135726.7652 167833.016 138733.2385 140809.1698 131416.2768 140721.8682 133447.3886 132369.5624 145402.3194 156009.0211 152289.3927 139895.3176 164903.0586 146221.1232 182102.2113 136687.3907 147738.2589 135004.6458 152489.6065 177644.4668 163707.6817 136228.8502 145778.0521 128475.4096 128324.5552 135504.5679 150460.8052 155450.6943 157129.7861 152588.5439 157983.1941 140290.6458 155238.9385 150897.4333 120951.7954 148930.0127 160392.5726 175239.9666 2,3-Diketo-5-methylthio-1-phosphopentane 26423.80593 26028.7906 26819.66635 27524.27717 27943.47058 24661.61549 24566.09822 25152.57742 26205.07823 21423.92022 23257.52911 19936.41376 20057.41499 24092.15551 17934.97836 26499.35134 18320.80414 22677.22932 18389.40503 19745.21661 18418.46284 18318.66278 18399.2239 20146.21238 18301.77555 21810.94083 20668.70447 20145.25397 23783.78072 21278.40473 25688.72878 20141.28702 19739.80139 18041.31657 23879.11966 23799.97789 21861.70092 18532.95251 20394.83991 17242.57076 18841.38524 20423.65545 19571.24644 22251.2338 24184.62987 21120.77747 21666.28633 17313.74653 21535.22274 21597.44515 16770.32263 19956.347 22564.30411 25078.50922 Zidovudine monophosphate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7082.15418 6077.806704 4041.643529 7570.118785 3971.624497 4350.27338 3362.893176 4966.42309 6590.035278 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4879.402715 5141.074223 5419.803147 4791.771773 6840.957086 4196.558007 4761.000267 2729.685149 5065.479262 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6467.802491 4.07813e-08 6196.391476 4.07813e-08 2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one 9327.125467 8553.359269 7107.152154 6934.661994 7788.189924 8318.66198 7346.333999 8530.595895 7989.851879 4966.289679 4271.356989 3892.358653 4721.371146 2786.603799 3893.297129 1712.649269 1848.95742 3877.663177 16854.22799 17227.28404 14379.60389 13424.43391 16799.9941 14616.20934 13521.43579 17715.85659 17483.51643 4232.174815 5195.359997 2325.610391 3063.119175 4803.526134 3785.522398 6094.74956 1934.836518 2726.338639 11143.41011 13497.895 11424.29386 13034.62117 14639.32961 16823.66534 13908.47687 16298.50185 24523.84775 9875.879146 9182.265149 9756.993161 9315.099631 9021.584263 5596.358736 9319.759624 4397.768942 11023.65816 NH-Phe(NMe)-Gly-OMe 2159.982132 3657.329191 1452.386151 2017.454539 1497.666273 1796.987601 3478.707559 4095.591448 4989.363192 137.5518095 242.1987112 263.6265413 388.8062629 65.72623055 461.2518972 4.07813e-08 102.5648389 239.40356 1286.428691 1619.72646 1337.478153 997.7472737 2431.423391 1645.575598 1556.755871 1578.564549 2025.907609 718.8063652 180.2016154 45.33194841 239.3443299 485.3040022 765.0619113 300.8793256 290.3635563 321.6878584 1089.593627 1133.745816 1353.556488 1831.149181 1284.73529 2375.409252 799.5989937 1834.697184 1791.695411 587.6404612 1410.108415 1000.623297 2039.922228 2148.377189 744.0097684 1019.153463 221.1144827 980.1257168 2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one 147.3618706 649.0204592 256.5686806 4.07813e-08 88.44883667 4.07813e-08 90.26780919 69.85783728 64.88047264 2672.84805 1397.588142 2135.531998 2269.08004 1218.167793 935.4200577 559.9424367 228.1163827 1589.516332 942.3235868 607.6022209 234.8055871 542.0014168 426.5072238 245.0980802 269.3513301 414.1990042 326.1307833 1362.263731 2043.546486 1485.441645 1617.176167 2443.647627 1899.773087 4336.938027 423.5218493 1328.158797 517.8296422 353.6516478 441.2172392 215.1197681 655.2816367 304.6816279 167.4400926 441.74118 656.5824531 4.07813e-08 304.4079358 180.7172183 610.5724256 680.4994785 3458.158692 164.6963047 1607.449255 288.9517466 Adrenochrome o-semiquinone 504.2065161 142.6234336 257.9253445 420.8452392 295.3783006 111.8670353 464.797133 133.4136316 161.1853644 128.0572903 155.287503 180.3154434 222.1560285 184.7700101 168.9765214 187.3422026 105.4457364 426.7913448 468.818812 235.9992119 249.7719318 377.4861939 380.8933368 124.8571861 324.2180101 113.3120013 314.1049118 84.25030877 130.6185504 206.2383055 225.6017823 108.8210238 225.0960201 199.403942 71.59761019 113.7890501 468.9242979 271.3989704 235.6403228 223.5908961 427.8718244 313.4248056 220.2019974 265.0779526 217.6493498 41.20527015 271.5593565 193.164825 254.8969412 160.2195905 348.9765038 371.0039638 57.04999259 596.3510415 N-(4-hydroxyphenyl)ethoxycarbothioamide 349.3092339 1419.08334 322.4636688 49.34605759 4.07813e-08 111.0902396 93.51524405 85.23011111 45.19254753 2183.859875 1533.332819 652.1084795 2160.210461 681.461527 960.4310068 328.3723468 736.8419335 1015.346258 4.07813e-08 13.0527856 4.07813e-08 7.217668173 4.921124183 4.07813e-08 184.3793235 4.07813e-08 4.07813e-08 1233.880778 1536.999415 618.7915151 1322.894504 1395.276857 1036.167482 1973.569088 405.9685779 822.0941578 846.0562289 4.07813e-08 4.07813e-08 10.9201501 11.5781537 5.181049816 4.97195266 37.29320508 4.07813e-08 7.070474184 30.58154364 219.5670233 546.7613142 2289.835237 1797.97813 196.3209543 1948.98505 47.53098038 Canavalioside 1222.067535 3413.555003 411.5788621 894.5021294 162.1529444 4.07813e-08 2464.604115 2592.692611 3013.661701 10626.02234 6525.360533 7536.85624 13108.09324 3271.989204 7971.786656 3179.584122 1656.207409 8850.752139 4.07813e-08 4.07813e-08 267.9802689 4.07813e-08 4.07813e-08 4.07813e-08 329.9031773 7459.303932 2697.222044 12261.73964 8761.401536 3328.42525 6226.464323 3476.979802 6857.098716 13897.63337 4239.447426 5885.53852 1001.994414 124.4473789 642.248207 92.47480866 4.07813e-08 4.07813e-08 73.2071089 7847.979707 3355.296631 4.07813e-08 964.8027694 536.5156933 2181.769641 8528.790669 8034.660728 519.8448421 8529.090677 842.7860241 (+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone 277.5180108 257.1602993 476.4093695 489.2739188 284.6261332 173.0869215 265.194803 209.3189099 250.7553905 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1384.730363 1258.230605 1052.240076 1191.045749 1423.129279 1268.269038 1447.944646 874.9760275 1106.975185 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 948.8103652 1120.42248 1057.873631 1168.981868 1486.890318 1514.152727 831.9606359 745.9545962 2016.502522 632.541183 348.6616749 662.1812026 657.5186022 496.6839023 0.000944234 761.4936432 4.07813e-08 513.0423909 Cichorine 661.0309308 563.6630318 481.1695299 189.8663661 401.7948697 784.8520721 1430.178403 325.0659703 527.4589763 132.9742305 565.3437182 272.3571474 192.3981953 234.9680183 145.6155117 377.3317564 102.4487593 180.5700017 107.7827453 274.30569 242.2804629 707.6804684 361.4626405 89.55535873 155.7026785 207.9746874 316.167721 73.58885208 52.69371703 579.6459563 723.7436747 629.1134945 288.6937655 316.3958686 87.58148411 458.3454988 1023.225742 720.2942718 576.1682879 353.1966257 342.4782256 257.2755378 164.0050469 129.976478 245.6717355 262.9906382 263.8897487 596.1436991 600.3810332 1005.319752 63.1145418 419.722978 442.1459662 619.8487219 (S)-Mandelic acid O-beta-D-Glucopyranoside 166.5826312 345.9245074 1435.702519 1094.378892 787.0529001 1506.59716 1787.800637 2905.338381 923.5011138 905.8733028 1454.584852 1170.705134 1031.829061 1328.627374 1010.434649 716.2646952 746.3979772 766.6393431 619.7162104 1200.813133 1286.022596 630.0623019 2800.857509 1088.068926 2383.273673 584.9943788 2408.468489 1201.81448 940.1076658 1066.59106 946.3286742 1695.405469 1348.101237 1661.084855 710.3815478 952.1585906 693.9650538 573.0699483 778.8566653 1795.415392 718.3159873 2132.654643 952.8008403 815.4723641 1659.52728 1210.755183 420.5993053 859.9671378 1186.960078 1024.859214 2339.135192 834.7046143 1852.8696 1610.146758 Isoprothiolane 24363.14341 11794.96086 19107.85724 14995.55789 29686.43332 38658.07713 20786.12154 11375.0204 15761.65046 688.8920592 673.7983431 884.9947547 610.249139 770.1476574 323.4039117 541.6535482 367.7384593 695.625928 49767.98245 37267.30894 50220.50557 88472.79568 78742.16644 78977.20487 36096.35483 23988.82943 32371.45215 432.4186321 638.2705323 933.9243953 583.0520622 813.2431295 736.5073248 597.373276 521.5716768 1155.072737 52850.4641 26404.33137 56798.03671 40154.18743 101599.6899 72128.69584 84362.51544 24042.67107 22873.3632 65293.00298 55680.07184 42432.46041 49130.52259 62948.86721 22472.35322 50799.93251 11636.00907 27566.57759 JWH 073 N-butanoic acid metabolite 4570.475584 7941.484763 4346.626091 3776.264607 2975.860055 4346.392767 4125.154501 4732.595759 4074.841479 8886.390853 8185.695236 11733.72231 9858.343038 2168.636584 9221.382757 7703.44059 1642.710229 2793.026924 6420.71661 9144.90013 4486.438426 6770.153277 10106.42414 7586.689357 8980.686453 5129.895719 4118.754531 6588.375766 7044.630897 1709.982719 5492.560298 1251.145447 6904.223978 12965.98314 6006.243547 4200.069299 7493.014647 13247.45412 5574.163119 8623.577955 7606.600361 11042.51411 7163.072657 4671.402035 11611.33535 2454.195662 3508.636905 6326.916409 5856.558523 8774.151714 6474.440596 4422.976741 6233.252636 4166.994935 3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)propanoic acid 4.07813e-08 369.3593994 4.07813e-08 208.7766987 4.07813e-08 4.07813e-08 231.4729622 103.1731376 72.30913583 1082.264473 1119.110247 1325.210643 1042.506202 857.2886545 634.4786308 684.7986962 230.3195004 962.1884995 139.955135 247.1438063 394.2337315 43.19420522 4.07813e-08 4.07813e-08 212.2095761 477.085566 43.4324572 1000.390525 848.1894554 1099.300319 629.3086779 1116.535215 1144.816582 924.6168056 738.8059326 1092.075023 383.8287615 318.7005376 4.07813e-08 4.07813e-08 4.07813e-08 131.8942113 4.07813e-08 204.6414442 109.7464013 4.07813e-08 44.92928931 53.2653504 74.42150651 275.0721658 936.4150262 4.07813e-08 813.24461 55.33647707 2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone 301.6709189 767.386492 426.4284007 660.1592165 1132.454873 634.0656115 320.8249769 861.4954564 687.5925692 353.6475941 116.7892604 614.5811035 4.07813e-08 472.1416644 133.4918008 168.09211 133.6168397 258.7647929 2693.101698 2391.061728 2410.187161 1863.614688 2244.302922 2032.43257 1852.071825 2564.865129 2361.55092 576.6497678 252.6490435 185.8653973 19.03299514 777.2624037 686.0706186 284.0317153 12.43577449 122.3884161 1764.938182 2006.617132 1399.605477 1956.061393 2207.050689 1696.770492 1556.049294 2374.179478 2959.443164 1012.439605 1619.131316 1654.847886 1350.591959 1067.083425 324.0125004 1348.110053 915.6899001 1208.58427 Avermectin B1b 4.07813e-08 4598.1048 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 187.0493284 1244.682705 5755.439067 1665.83115 4.07813e-08 16046.24586 26072.37532 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13560.02293 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5978.4815 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26821.37681 3954.430846 13489.37523 49804.71265 484.283944 3807.752629 85791.83058 42494.1217 4-octenoylglycine 507.0978721 426.8947149 782.7196658 690.355863 590.2514229 628.235244 324.3348039 630.9546066 324.3127755 804.3245828 574.0769123 964.9658756 801.3021235 404.8283455 310.2409253 689.0697109 392.0755958 961.7925156 419.1646768 150.6114818 368.4706492 587.4735581 440.4921668 484.8634199 451.4427168 1139.154859 1037.853958 436.7496498 397.1266859 422.2119495 500.8425979 472.0022142 542.9267731 478.6085321 358.2882892 432.2189496 466.2822295 251.025085 531.0905954 369.2183199 464.7508266 606.5055425 410.1183036 1295.923296 542.6394106 348.6557025 330.7341703 691.3629569 557.0910057 702.861674 304.1707972 449.7355746 626.4384677 625.7813417 Trinexapac-ethyl 265.9326665 691.1290467 1577.624051 1671.557124 1024.96323 1910.593355 1459.469899 1460.606823 386.6576722 1197.020535 794.2858022 371.8688884 935.6215416 209.0217709 524.197006 118.6427349 284.8765444 249.0919526 1770.563564 2775.748108 2418.549558 2093.747679 3055.481953 2673.614463 3199.296312 2203.683882 3907.429925 312.2634045 513.9758064 247.714639 268.0456071 445.309122 2.62835271 702.3496799 235.4961383 207.2034173 2175.320174 1989.110327 1871.359651 3296.932559 2639.620071 3332.513249 2114.281033 1931.248056 5192.414474 1571.449768 1063.125427 1798.544345 2124.790849 2290.934822 161.5655127 1362.76526 384.0335305 1809.215676 Protionamide sulfoxide 4.07813e-08 211.038529 138.1379228 4.07813e-08 228.5845642 4.07813e-08 4.07813e-08 244.757523 447.747126 1538.991002 1698.64021 1485.799214 952.0248703 1838.443106 1413.030822 2316.591335 2829.888303 3574.348222 4.07813e-08 4.07813e-08 159.2242727 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1032.389251 1894.473962 2369.113039 1911.661387 2281.705053 1568.250869 1929.579279 1860.658592 3754.011982 733.4704126 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 580.4294891 546.0680904 1980.965798 4.07813e-08 832.3496727 4.07813e-08 Lupinate 113.3503852 273.7365578 4.07813e-08 4.07813e-08 4.07813e-08 61.74629411 4.07813e-08 63.88473834 4.07813e-08 5426.356142 3421.349599 3990.93029 5666.554763 3576.243518 5105.945686 1808.554308 5306.736313 4926.344381 4.07813e-08 4.07813e-08 101.0677734 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5006.666447 4582.262077 2246.87551 3517.428289 4069.195052 3765.829164 5180.694787 2636.447634 3236.501153 203.3198197 4.07813e-08 4.07813e-08 4.07813e-08 85.45552195 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 90.78880091 4718.829532 4.07813e-08 3187.752346 4.07813e-08 Ethyl gallate 753.0467612 993.0605252 1014.921528 1650.676123 1746.304888 1268.652403 1046.038029 1222.175126 911.017762 668.2464545 382.0168095 587.4993555 398.2834172 411.5066272 430.1498364 291.4728475 266.2047809 694.7801929 893.4561272 938.9914734 956.334078 1094.515514 1547.447304 1036.892714 1096.949693 986.867042 1026.093834 496.515814 513.0861462 282.8625429 859.2061691 332.8982824 340.9227011 508.3869268 299.6052979 876.7450264 1492.373482 1190.991125 1087.767661 896.9061654 1062.921224 1467.151032 872.7404058 1062.904948 1012.25048 814.5450394 969.1448401 998.4359993 1770.214451 1644.014278 322.2954803 1307.189171 534.8489603 1918.778377 Quercitrin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4917.147154 3922.229022 4877.356736 4562.45817 3080.154083 3590.471548 3023.885516 3033.981178 4473.987377 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6772.497824 4977.11909 5281.528695 3387.588272 11424.27897 6749.105378 6195.511763 3737.702087 6215.958994 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7394.240425 4.07813e-08 5757.569653 4.07813e-08 4-Acetyl-2-prenylphenol glucoside 1261.403839 1211.340853 1596.61636 835.4154564 1855.539337 1644.876652 1025.623257 1524.537094 892.7180853 4.07813e-08 4.07813e-08 58.80389214 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 100.9354187 4.07813e-08 2935.542752 2096.78894 2533.6786 2140.258974 3273.724801 2038.050327 2466.824045 2969.770955 2496.493012 4.07813e-08 4.07813e-08 204.3724448 4.07813e-08 111.7052817 1.264275214 4.07813e-08 4.07813e-08 4.07813e-08 1379.594906 2425.56531 1919.167379 2416.803957 2513.097596 2215.865668 1889.193504 2970.429529 3189.502507 2067.519353 1575.415713 1673.711372 1191.368341 1515.977049 140.7349444 1639.481145 4.07813e-08 1520.872434 Calafatimine 39568.86783 19417.44971 29941.9231 22358.44321 31775.62549 36718.52857 30213.71784 54222.75497 39059.91995 1739.48224 1341.821148 696.2767528 1136.047113 145.283489 3045.884861 2651.775634 2029.756352 4.07813e-08 123557.3676 105255.2782 92711.9256 80869.42676 118614.3025 96567.88163 83571.59555 98988.9435 95061.93837 262.2457094 2570.688209 72.97233505 1709.213546 685.5978429 1400.911685 4827.673567 4.07813e-08 1190.669663 56226.2749 95071.66008 86240.73955 89415.73857 103521.4685 135360.6854 91599.607 97342.75119 125373.8238 75523.52743 67300.85316 80751.21915 56605.24237 50846.06704 369.1015022 76193.69126 250.0859976 84472.86116 Ceforanide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17122.52436 14855.67844 26026.32766 17970.90611 12914.68524 25943.17792 13381.62843 20820.92418 23552.13797 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 67229.11436 46680.95923 7162.321136 49463.82022 55571.23704 14665.01193 61825.77161 21135.3282 23550.02434 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66750.75079 4.07813e-08 50897.42327 4.07813e-08 N-Acetylaminooctanoic acid 484.7193482 260.1225426 299.498554 96.61460035 368.5871385 201.3569766 421.0038638 463.8574761 108.478207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43.07257061 4.07813e-08 4.07813e-08 372.3341774 229.3500661 280.0303254 330.2406125 161.7323191 120.9050514 729.4873936 1068.887673 340.0847211 4.07813e-08 4.07813e-08 4.07813e-08 71.08993167 4.07813e-08 33.0376294 4.07813e-08 4.07813e-08 33.78687477 466.7640432 471.1682489 427.184764 135.3734873 199.3099016 432.9060128 298.4070209 1177.319977 4.07813e-08 4.07813e-08 111.178963 370.8799071 524.7771735 681.7453797 4.07813e-08 444.2122919 4.07813e-08 571.5319849 Hoslundin 133.3179133 394.2428623 713.4407771 1972.400128 2562.858949 1324.670681 306.208172 604.4479656 204.8630528 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1061.01127 739.9793175 799.1300122 672.8384937 1800.437852 905.2704287 741.4710877 886.4192964 1214.554999 4.07813e-08 2.295557076 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 613.3409901 164.1078997 727.4738906 1388.707539 1101.005822 1191.888258 123.5531299 370.1127554 1738.460443 4.07813e-08 4.07813e-08 332.9095885 641.691817 694.7199825 4.07813e-08 573.6636809 4.07813e-08 459.5799412 1-dimethylarsinoyl-octadecane 1205.858185 2288.008355 1063.31275 1906.351939 1497.722786 2469.116824 1700.152585 3620.457653 4943.970405 4.07813e-08 232.2553025 4.07813e-08 4.07813e-08 4.07813e-08 237.4080968 4.07813e-08 151.0923461 4.07813e-08 37.14341688 3.24286494 957.0446842 4.07813e-08 350.0883565 527.6765703 549.9949316 251.1988014 459.5853231 4.07813e-08 103.7060394 4.07813e-08 120.1286418 179.7469141 217.1296413 4.07813e-08 4.07813e-08 155.9507424 4.07813e-08 153.3734086 1175.613482 1511.140992 4.07813e-08 10.33935683 222.7118764 124.3742256 252.0902647 5.937157587 517.5417834 640.7711673 1696.61114 5563.607119 4.07813e-08 809.608539 4.07813e-08 4.07813e-08 Glucoheptonic acid 1503.301522 1418.378285 1161.767327 1704.913392 1414.629336 1792.862235 1855.600222 1656.633278 1001.725981 452.6863762 325.7200221 142.2001511 452.1857472 756.3421772 652.4468675 511.8062417 263.7869425 276.6834933 618.6374024 1063.336563 767.9258516 1708.242482 675.2439198 1231.633432 1269.823273 739.4319445 811.585943 763.6518616 270.9464158 728.8151545 897.139375 219.082108 436.9344678 765.5898508 783.5905795 319.5903284 1261.803018 1267.58381 1289.221363 631.3724048 1095.971249 863.9002547 557.5496091 707.6100287 1150.361252 1515.509951 1319.121194 1629.183623 1476.988957 1222.271646 397.7613601 1137.94578 139.2802216 998.7687035 Ephedrine 331.3100174 94.869864 282.4057227 475.644826 386.1482078 117.6063752 522.6041107 94.16833991 4.07813e-08 4.07813e-08 4.07813e-08 45.26283354 4.07813e-08 87.45333048 4.07813e-08 102.0537063 4.07813e-08 4.07813e-08 272.9272718 424.507897 246.4991561 318.8093027 320.0322872 315.1925471 441.7147767 353.7888451 491.4369316 4.07813e-08 4.07813e-08 134.599122 4.07813e-08 47.57634068 57.72233563 77.85802297 50.91747404 4.07813e-08 212.6818487 360.852603 277.8995394 436.0908908 210.4570406 461.6520459 460.263266 296.1425558 607.1197612 135.5509742 185.8125962 252.2207501 294.3550742 157.4804855 4.07813e-08 279.8688385 4.07813e-08 382.7306155 6-Formylindolo [3,2-B] carbazole 1914.568781 1402.418834 2730.46289 2783.627275 5445.811313 2847.29795 2233.551882 1843.874648 1454.708819 182.877924 209.7648929 238.2843378 176.0598046 4.07813e-08 104.8360007 173.5430789 576.6753169 4.07813e-08 3234.548183 3825.198388 4589.536638 3666.985596 8715.539219 3938.143787 4367.020227 2623.818 4563.785689 462.738327 597.2775826 239.9614334 129.3641608 272.9109911 411.6201206 648.9364785 402.6651222 4.07813e-08 1250.846861 1916.571954 2612.417599 4955.371134 3484.664184 7137.211722 4021.549623 2774.686504 3055.094632 3102.276195 2890.440235 2359.033369 3543.398 3228.641669 1150.995953 4319.956146 610.0654572 3294.542819 7-Methylpyrido[3,4-c]psoralen 76.76380674 4.07813e-08 40.95798012 69.92995547 80.24266775 37.4743454 65.134344 160.1155155 38.41918255 5843.895782 7459.508192 6920.901587 6030.380092 6587.625582 14077.81254 7292.93326 44205.40667 4.07813e-08 69.9345805 90.23073426 4.07813e-08 37.42316496 4.07813e-08 4.07813e-08 75.40877728 4.07813e-08 4.07813e-08 3750.999784 8484.365007 9960.0401 10583.6924 17314.85813 12438.6184 14886.13021 7406.522374 4.07813e-08 25.42566743 4.07813e-08 41.51721122 4.07813e-08 35.66182142 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41.31206628 26.09229053 39990.00349 55.00081413 6667.337795 4.07813e-08 Bisthiosemi 4.07813e-08 118.2630426 4.07813e-08 4.07813e-08 4.07813e-08 228.8296534 103.0976422 4.07813e-08 4.07813e-08 2284.257718 2382.042151 2863.707882 1899.641005 6502.041969 4943.082562 3468.140101 5388.418593 13763.06438 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2422.831575 3128.746363 3047.908952 3504.872247 5899.320596 2472.224349 3601.919105 1962.5333 9440.402641 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 145.1299615 4.07813e-08 4166.382868 4.07813e-08 605.6314555 4.07813e-08 Dityrosine 1953.120587 3218.561176 1808.234989 1199.497903 1844.105048 2189.021627 3082.799784 3080.111601 4916.188304 11647.39456 9757.227329 10093.95585 12679.0513 9109.913116 8415.298963 8195.549717 10420.23334 17622.22915 4486.788575 5578.259216 4333.325757 4034.655715 4204.744631 4372.174696 3803.493547 4925.651559 4461.738934 8412.72174 13091.29734 10620.91572 10388.09891 12790.06165 8273.367867 15125.49961 5653.062447 10908.65078 3207.091919 2514.976006 2778.873726 3525.740893 4073.895894 5233.241822 4224.710021 4023.506887 5975.163839 2989.597247 4324.611055 4055.042046 4659.803419 5227.699023 18403.21476 5034.46026 12393.76001 3970.145524 Delphinidin 3,7-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 25728.28548 19518.73137 20864.81217 27358.68327 16780.24361 31374.02379 16157.6424 19709.21242 16785.74032 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 37557.45718 35217.24287 11444.27761 32490.01693 22402.40863 28943.95689 37729.1979 16768.77517 20289.22345 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20263.62292 4.07813e-08 30818.82685 4.07813e-08 Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside] 4.07813e-08 343.5522117 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24587.93901 18334.92892 17929.25765 21079.20176 18412.57754 28494.07841 11847.07202 6470.463161 18355.06327 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50941.78322 15433.14081 16697.05229 19938.18054 16404.51342 23126.61662 9581.616381 11237.83431 21225.88284 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 940.0583284 1078.773831 4.07813e-08 20933.07874 4.07813e-08 6-Hydroxydelphinidin 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 34961.75209 25815.20221 28885.19036 35696.80001 20892.19448 31165.89657 15303.92989 23899.67065 23477.64325 4.07813e-08 4.07813e-08 4.07813e-08 169.800015 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47405.80799 31835.62924 18866.46225 29234.14815 26378.97863 33746.3963 42582.80668 15865.13409 27930.25652 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 563.6092327 28287.51564 4.07813e-08 33706.94364 4.07813e-08 Minoxidil 2129.463778 663.434364 1326.645446 1512.823042 1227.923602 1940.605842 1554.549786 821.1752798 1292.437158 313.6072565 119.4457746 4.07813e-08 4.07813e-08 4.07813e-08 883.2675686 4.07813e-08 4.07813e-08 4.07813e-08 3496.070854 4328.935281 3258.513921 2610.37631 3283.981832 3709.681755 3153.885257 3698.160394 4121.138518 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1423.184459 2655.808843 1758.913952 3200.737917 3680.520086 4725.9598 2914.849625 3591.150751 4459.345609 1803.071695 2001.057417 2516.64125 1804.676874 1271.539577 147.7243178 1801.56692 4.07813e-08 1466.583243 3-(Acetylthio)-2-methylfuran 481.7806986 2186.029548 369.5995971 651.9154283 1308.661894 1982.509575 3192.313571 1707.892032 3068.009784 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 84.37400141 274.8223599 4.07813e-08 4.07813e-08 4.07813e-08 53.5969841 76.80299418 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 103.7301099 4.07813e-08 4.07813e-08 241.7930026 4.07813e-08 4.07813e-08 35.60986244 4.07813e-08 48.86686634 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56.32058542 5978.884404 924.7365494 5525.465397 4726.998875 473.4256466 2949.440783 1702.178861 10755.63464 (1R,4R,5S)-5-Hydroxyfenchone glucoside 2129.444231 1941.709939 2043.347719 2096.077959 2717.720016 2196.483376 3597.189472 1139.077559 2370.186919 2997.668777 1811.979996 769.2911638 3026.918415 606.9884884 1914.548854 111.8026357 2385.32384 4007.491746 3109.355971 4110.660124 4107.959868 3226.02006 5060.571935 4437.260946 4287.466875 2352.729159 2793.253354 3018.567216 3112.219051 965.9692831 2620.117567 4146.027931 1689.971367 4786.701078 294.641886 713.9919179 2172.487749 3668.253015 2586.211314 3109.157565 3214.541041 4587.364722 2489.355384 2259.783306 3051.711141 3130.631508 2212.786488 2965.958925 2034.84093 2258.840508 5621.009731 2931.256334 3989.577954 2083.779475 3-(Methylthio)hexanal 244.1232325 379.5292623 203.0371309 154.688225 4.07813e-08 192.6471253 263.4716061 111.9010787 4.07813e-08 1555.082752 686.3430271 69.18557254 1531.30714 103.2551599 864.8085967 459.0411405 636.3734045 4.07813e-08 204.7039355 272.5866539 52.5524538 239.9986816 46.94876755 238.6332143 227.5362052 181.8562463 274.3939221 724.5972077 706.18653 4.07813e-08 660.3571319 43.41596982 696.0921722 872.0479485 3653.507974 4.07813e-08 332.9119266 166.5149272 289.6888301 104.0843095 320.6823315 236.7004452 349.553293 196.1720189 195.5797785 242.1812965 112.6504091 127.0014494 4.07813e-08 72.74098236 40.11403012 66.38580822 4.07813e-08 494.1611288 3,4-dimethyl-5-carboxybutyl-2-furanpentanoic acid 3539.038723 3413.938281 2495.588909 5684.42856 4560.473359 3873.763934 3558.837372 3638.237986 3212.784709 2266.050103 1777.107947 1941.812984 1787.198789 762.7072656 1318.184457 366.0478867 824.5381027 3299.332996 7335.368019 6756.0177 7461.097341 7301.902755 8424.301484 6888.227028 7777.864207 5004.891163 6285.780073 522.0503906 1466.703091 3951.550946 1011.045963 2228.088084 1369.112452 1912.77242 873.9962845 4624.016952 5153.817179 4592.492161 5977.776077 6696.340794 7682.173547 7791.72854 5882.810738 4649.383931 6270.31452 6712.831156 5320.542069 6985.257381 6017.355433 5113.800033 3233.380906 6167.888118 2281.234217 5728.861425 2-Phenylethyl beta-D-glucopyranoside 634.6941963 1161.921095 1858.264977 1380.92566 2367.610094 1299.347042 2068.449804 1878.736676 659.0623848 337.5253454 271.5558043 353.8674538 354.1547685 182.6885845 832.313554 4.07813e-08 169.365516 178.9107939 4357.759616 3920.750561 4115.764262 3757.045434 5096.592193 4006.533189 3247.234417 3062.790013 4241.823378 243.181222 239.8530813 186.9854145 459.1115234 513.4364783 252.7025742 565.5296608 79.51886818 497.1646488 2061.521035 2602.73278 2515.74405 3894.299029 3532.444327 5096.66886 3722.851313 3144.753389 5560.389179 3418.03582 2311.926572 3020.179 2745.709928 3101.327427 971.9903901 3056.169934 705.5328685 2591.939199 3,7-Dimethyl-3-octene-1,2,6,7-tetrol 694.5821189 637.9416601 833.8005195 555.4173928 438.4541234 582.7010894 684.9941309 401.2146608 584.997834 1398.545986 1525.137565 360.5346475 1655.076869 736.4357605 3455.849671 719.0456806 50.07054767 765.0266061 138.8918155 152.7800389 167.4575049 320.1448447 67.42217498 379.3317963 271.5231498 303.744703 288.6803237 116.2256726 508.7071435 566.6758738 560.3357538 482.0286569 277.2784567 486.3168297 237.6750619 682.9583955 624.0651695 124.7092933 351.9527647 150.8645984 221.1880198 87.62014909 151.2358874 159.8125305 127.0502355 576.3556782 462.9850759 563.149333 376.8034913 773.8378384 401.0602709 163.4926999 580.0497188 410.0728284 O-Ethyl S,S-diphenyl phosphorodithioate 213928.4584 207368.7214 205364.9801 211053.9437 219913.9999 201001.2788 198554.5598 197416.957 199852.3347 165753.8724 155850.1736 151878.1855 158249.6571 168311.4901 152123.2747 197010.2923 102325.5433 185998.5207 151949.7307 156027.5467 149078.6291 162664.9043 152573.2329 152702.4033 156648.8229 170372.8537 165375.212 119142.7878 179684.2208 165689.8794 194922.3268 157014.3884 161367.2089 152614.7186 152017.9355 204981.8762 178451.4892 157114.5671 158054.6348 145023.5578 147927.8672 148217.7564 160657.4923 171336.5394 180130.4976 181398.2863 178126.4964 161450.8664 169247.062 161041.0982 141993.2232 163882.1084 180993.4832 204395.0003 1-Acetylcyclohexyl acetate 1875.714772 1350.530161 1404.89569 1962.957795 2300.452137 2613.057974 2151.227085 1311.21796 1340.981684 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1335.244196 2286.274701 1615.35937 1975.271817 2308.657832 2331.792448 1626.72058 1953.333871 1935.012267 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 107.0111718 851.7574835 1887.19781 1619.09769 1442.548349 2045.993331 1868.193401 2079.269663 1714.668068 1825.84295 2282.912109 1257.486764 1881.392259 1028.232133 614.1714553 4.07813e-08 1420.155474 4.07813e-08 1364.622047 4-Ethyl-5-pentyloxazole 1315.955584 703.7920926 886.1023453 1443.582699 1467.626499 717.0373418 125.9542235 790.0628416 294.3236351 1478.728225 1169.058752 969.3706656 1264.470891 312.3718945 4.07813e-08 178.0192751 72.68565783 127.7978852 476.9428086 4.07813e-08 4.07813e-08 121.5200729 4.07813e-08 66.54802959 154.2016855 501.049219 4.07813e-08 4.07813e-08 1060.75747 1566.172903 383.5793862 968.3115671 853.9553508 1199.791346 135.7513694 796.536971 2580.578492 4.07813e-08 4.07813e-08 4.07813e-08 59.59756091 4.07813e-08 44.84342014 196.3240607 899.5081314 4.07813e-08 4.07813e-08 4.07813e-08 132.8958918 753.1180079 875.7178432 4.07813e-08 1373.257167 4.07813e-08 Erucin 1792.191718 2436.152571 2291.004035 1879.293852 2151.446968 1248.399463 1370.717402 1620.398279 1729.923716 1261.138815 1130.111952 1202.016997 1322.458681 1432.319167 320.8612161 2576.926622 224.9680174 1499.356607 1049.52151 1243.021117 872.7890812 1120.000638 707.1721883 854.7130856 1200.798402 1652.645222 922.3776093 4.07813e-08 2082.543968 1639.633842 1318.803118 796.5563816 708.7092411 1585.447306 1307.814963 2003.332276 1558.230326 1067.256735 925.5071414 608.4077682 728.8866159 513.6719183 1147.085701 2163.041068 827.1320953 1472.514485 1627.003982 1046.644511 1389.549048 1525.407314 793.1295222 939.1606046 1686.448909 1348.014868 Taurolithocholic acid 3-glucuronide 611.8606055 4.07813e-08 359.4682089 4.07813e-08 4.07813e-08 697.4268334 278.5251945 492.5684877 277.4372134 20647.96351 20177.66684 11421.10191 19432.76104 6872.581545 13155.51093 424.8211917 4691.373702 2150.64906 270.9334948 455.8468884 4.07813e-08 4.07813e-08 4.07813e-08 811.0309785 4.07813e-08 4.07813e-08 316.8035865 13669.41678 24818.28855 5108.058242 32538.05897 27579.26165 35661.0024 35204.4939 8865.8952 4286.392962 4.07813e-08 1130.902876 306.7206806 185.6973322 683.4328619 267.5639687 1822.67973 4.07813e-08 259.9150037 5308.364369 988.216608 265.2755157 319.327381 4.07813e-08 17337.70818 883.8945531 45686.09569 2213.035694 Pterosterone 9462.592635 19541.90759 19200.77004 20275.89083 15153.27325 15192.23052 32190.36313 18090.00552 13721.27626 902.7465483 1693.383809 10492.19782 1673.536681 14802.20826 25399.53908 1327.958224 14068.06078 33384.96145 14750.02693 23556.55977 22085.59523 28503.20976 23268.05051 22825.6899 32084.95716 13142.23575 15640.62848 15975.19686 1032.725375 599.7393942 293.8871922 445.0401953 1843.923932 148.3661054 4978.841084 2133.454327 11696.59519 20341.35167 19138.38703 34871.60927 28032.55072 22469.52182 19988.73319 9915.987747 16448.23998 51487.50117 21604.93035 22534.83103 17216.89484 10643.96196 5234.373135 12824.42478 317.0341749 20814.81706 (S)-Nororientaline 1255.658496 687.1984088 424.0771752 895.4907775 1608.926511 712.9639533 1512.050432 208.968034 136.0240305 242.220406 574.4462396 4.07813e-08 449.1158762 4.07813e-08 112.8487388 91.21106542 105.4753574 4.07813e-08 1903.100907 1619.025226 1408.339342 1354.435482 1174.622626 1653.641025 1506.023632 1541.927743 1993.413944 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 96.13629319 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 534.223151 1232.172864 326.6094999 785.3181006 1414.673868 1059.102931 1414.808739 1316.819251 2399.651351 1982.188467 607.1414504 649.0531741 831.3259343 112.7262682 4.07813e-08 669.1537568 4.07813e-08 1839.36464 2beta-Hydroxytestosterone 7171.14627 4081.792383 7914.61499 7418.81819 8985.243229 8060.026359 7756.919269 8133.666258 10126.3421 209.5067487 390.4312249 321.3489235 197.6501543 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1419.019072 15028.03547 12847.97087 13492.02842 14648.30854 14271.27025 16407.37204 12099.56109 12206.46052 11684.44714 65.97407617 317.1196691 115.1622351 146.7366213 4.07813e-08 4.07813e-08 104.3522015 307.4543018 4.07813e-08 10892.90754 9998.507708 11999.63108 10520.21992 15223.27632 12072.46529 15522.35729 11497.9301 13610.17367 11117.81203 10245.36786 11493.55036 7648.222264 5766.295596 868.1114534 9233.693774 323.9403558 9513.141944 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate 9.964355926 1752.959186 2193.486381 840.2578024 1692.937092 1083.103809 3116.056894 206.466209 588.2486182 1603.477644 1479.536018 782.2308453 1602.310446 581.8617066 1.067041069 4.07813e-08 1268.130463 446.7279792 2309.752101 1093.470699 4770.569558 1281.024581 7963.801492 4104.909347 4309.445862 4112.559873 34375.16754 689.0642036 430.1208837 1577.937631 4.07813e-08 88.58818681 62.61964859 131.2737152 1460.353476 148.7998409 1987.001471 5063.73544 7738.482962 4778.534161 1063.400286 5328.776968 4066.40955 3011.273479 42087.92199 18269.76499 3294.247939 2538.23086 2878.271821 499.8331275 577.2091467 2101.426654 934.629364 3345.239342 Lycoflexine 1730.253853 881.6665702 660.7214781 109.9425955 92.25033732 911.6137301 1525.711948 2240.031685 2849.929327 531.5374916 4.07813e-08 4.07813e-08 627.4740171 4.07813e-08 4.07813e-08 4.07813e-08 103.2154753 123.2626437 581.3458136 645.6908242 631.5892032 596.6116216 745.9909235 879.6607653 944.2552438 420.4562995 192.8347379 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 265.8630543 1110.317466 754.8308363 395.1635259 967.8624941 861.9033426 692.2482604 131.395233 862.0723842 633.6578772 486.2502699 995.9459619 321.5104346 77.87565629 6.533369931 112.3780424 4.07813e-08 510.7736273 Misoprostol 23056.43626 10233.67316 17219.46688 9760.882004 13762.72976 19928.08222 7014.90017 11371.88167 9937.094876 336.1454579 139.0928241 4.07813e-08 4.07813e-08 150.2436991 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17155.87993 7721.715422 8057.572741 10599.30952 20283.24659 19957.24499 9897.600207 10190.18625 8401.612455 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 271.1431067 210.2312235 4.07813e-08 14020.43998 11544.06028 13465.19353 6415.864446 14507.24652 10950.0296 23662.12122 7867.900681 15994.99223 5537.822802 4570.052029 3972.384832 5450.704478 5349.625041 4.07813e-08 1667.076896 4.07813e-08 6474.4807 Avocadene 4-acetate 3252.919025 4360.379341 4257.122723 5141.641455 4997.834275 4873.047526 3027.857517 3215.185997 513.7085908 8328.252668 8175.038091 11064.1754 9150.627407 9373.068542 5506.742525 18999.75256 6721.372586 12519.68692 4876.114553 3737.58651 3036.982098 3975.103223 3895.627654 5123.747563 2274.557492 4843.051474 3591.205385 4454.320539 7700.008908 18829.70856 4772.534727 8190.81493 10686.36326 5912.767212 6557.860331 11862.57667 5038.481917 2714.362394 2201.979135 3186.357878 3480.789938 2305.178482 5155.331421 5321.282051 3975.97973 1411.357203 2932.632538 3836.536265 1729.824704 1404.548116 6624.162296 4116.584205 7165.390175 2672.639884 Cadabicilone 3052.875786 1535.682689 2039.856752 2211.716213 2021.481995 4091.758467 4365.299975 979.1259178 2301.79109 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 81.90723682 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6170.717679 5568.760828 3523.623248 4397.607074 5518.487711 6393.794304 4292.456706 1430.351414 1883.366684 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 162.2254551 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3361.547219 5322.650497 4087.609581 3659.766583 4806.942111 6108.373936 5563.792493 1371.404595 2588.51078 3088.744033 3862.393187 5415.729735 3127.960413 1650.784727 4.07813e-08 4444.016649 4.07813e-08 1995.028955 W146 2525.843106 1892.88682 2753.998035 3160.584199 3050.945738 2735.963197 2356.061001 3221.688094 10944.18835 88.97651002 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10124.55583 9020.908692 7174.371217 7853.21221 1779.871081 4629.436036 4457.71256 5444.924655 3047.333208 161.8280486 920.9059478 191.4464461 185.4242876 798.1350058 4.07813e-08 643.2569257 4.07813e-08 4.07813e-08 3918.909391 5948.868599 6946.43923 1236.601854 8779.058485 3079.780421 3179.021768 3976.885211 4086.811418 6523.388329 7572.060781 10414.34484 5657.876064 4072.259187 624.9005521 7769.319077 4.07813e-08 4177.174538 Dihomohyocholic acid 2186.509048 6197.456744 8674.37346 8977.16191 6877.357305 5022.579553 6802.365959 15007.94735 6871.589728 8264.169901 1981.695082 33168.07664 6910.311174 36519.33851 64033.83188 12151.84504 56745.34341 62836.57471 9956.947738 12478.70597 16782.95495 18230.18522 10440.66939 7599.731018 9519.492441 10348.02335 5118.14689 47230.34133 5384.243754 6992.06971 6256.215807 5821.233076 16203.33243 8306.685647 33021.17249 7574.60513 13605.26867 7301.400245 18943.19551 22146.36222 18687.35879 9620.752319 4736.218723 6954.638879 7019.343551 31160.92032 11292.9016 36500.1317 18286.40098 13061.43952 9958.827859 16741.09158 732.972241 5899.921212 2,6-Dimethyl-7-octene-2,3,6-triol 6056.816822 6799.049156 5709.425074 6549.506497 7461.863088 7535.204594 7023.458281 6320.669314 5746.293571 4684.537289 4100.749312 4066.014194 4775.072374 6969.443001 4073.970654 6713.096622 1737.568335 4902.363771 4525.230352 4430.67125 4467.825802 5608.800424 5773.162913 4847.124038 4797.981695 5198.701551 5124.919262 2962.315447 5216.672786 6233.400207 6516.161241 5608.931622 5561.809506 4063.679163 2878.323619 6088.889627 5240.492873 6591.11198 5472.752507 4766.216229 4369.073937 4917.778472 4880.790914 5111.430306 5732.692233 6768.472885 6130.195475 5640.428697 4389.476016 5372.652437 3820.268734 4004.46768 5472.113471 5050.625375 cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene 2799.924421 737.9423766 1403.390918 1273.144655 1037.640934 2785.170051 4562.288266 794.3216995 694.1320957 434.8088216 2392.251235 388.0413363 346.517133 366.5416798 234.5531978 2713.994024 4.07813e-08 142.1262413 1042.803909 1454.854652 1283.559834 2706.697123 1531.516043 4185.860063 1653.150073 1538.430809 1287.017474 360.2086938 298.8110174 2348.100257 825.1063978 2506.99576 2014.975753 526.0556278 904.7783786 690.8607386 4210.221334 2865.02493 2696.643347 800.5135154 2668.393991 1077.931948 3699.114735 1058.619705 583.5028023 894.3536515 2679.091436 2044.348351 594.334964 898.4746081 441.5596586 632.4266935 1604.481145 2243.543392 12-Methyltridecanoic acid 2196.916697 2303.859884 2809.035964 4.07813e-08 4919.322708 4248.432103 2573.287109 3566.045495 169.2947069 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 981.0449895 2229.720078 2554.866136 2229.690725 1467.421616 1164.193279 2147.45136 1158.206789 2006.271529 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 617.6610905 4553.353594 1054.49265 3142.438031 3649.741076 943.7602627 1103.28035 729.9227412 4.07813e-08 268.0094132 1479.831763 1462.857699 1099.4533 316.7553528 4.07813e-08 1286.57707 4.07813e-08 4.07813e-08 PA(20:2(11Z,14Z)/0:0) 102.8637844 167.6554879 461.0348008 4.07813e-08 4.07813e-08 1550.034899 141.4045935 2578.152309 2776.950451 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56.56624842 796.3080023 4.07813e-08 4.07813e-08 3.379256068 3473.957999 306.8876452 3648.532159 71.60033728 53.19209591 72.15306359 196.4271339 4.07813e-08 4.07813e-08 4.07813e-08 290.4610005 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.543295213 4.07813e-08 4.07813e-08 1669.772741 60.12566195 6099.749073 1791.14297 37.70504626 108.8949501 4.07813e-08 4.07813e-08 4.07813e-08 10939.69643 6213.182172 1973.624793 2694.70462 98.937916 200.5088449 2715.424207 4.07813e-08 69.91502252 6alpha-Glucuronosylhyodeoxycholate 5838.024307 5820.726387 8652.100913 9284.847712 4046.471387 12826.65225 17870.09149 7958.431355 1836.024403 257.6348081 646.1928369 211.2656105 326.0374562 898.5220187 3461.109126 7212.40136 27777.66968 9609.972096 10232.20496 4677.027488 14547.69784 13780.00403 17240.89509 13911.10444 27415.87987 8709.653353 14298.04975 9269.48749 274.4204849 1605.220447 1609.861852 12603.45112 2661.849116 795.5713324 25289.41887 14364.26329 12669.41198 6784.853126 16701.69419 14720.78519 16766.29395 17297.75973 16319.86221 7299.508849 5752.459464 3859.194614 1175.587461 7689.504118 11084.84582 7362.013966 1016.240634 10172.67748 2816.388096 9862.595949 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 893.0797969 688.4716877 181.6181502 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 319.3954962 162.8121482 1651.899455 2436.473942 3454.247699 2585.126346 1335.660764 1528.468522 881.2632624 4.07813e-08 4.07813e-08 69.56127686 1016.623836 75.14395459 4.07813e-08 732.988858 4.07813e-08 83.93611581 3406.111807 1577.5869 2775.969973 1273.202155 2968.298972 2546.687074 2038.408072 642.2084144 806.722906 259.1235063 412.0936422 1233.147517 1883.430868 1074.855521 1320.596568 1418.069291 687.8972241 183.8011703 Biotinyl-5'-AMP 2497.700856 2399.997674 14866.37083 9033.202581 19808.17636 35512.47715 24768.8753 20611.59369 19004.27739 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20538.89496 33455.11471 24286.97714 20051.72611 19735.02911 32445.48295 22019.35878 7925.634513 2651.377832 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13714.69026 11250.41233 15227.0446 16785.32774 30452.88607 13260.35309 29368.80946 11334.37677 323.4642518 50488.087 16404.79246 34204.91038 7374.028717 11015.91283 397.4524374 24274.22624 4.07813e-08 13124.42578 Capraldehyde 20497.48276 19377.29819 19073.9525 19832.30217 19574.35899 20428.6158 20045.04064 18613.39397 19159.23331 13833.97857 13914.45048 10707.12096 12863.97764 14170.55913 11249.28187 16863.53292 9392.392172 14625.45366 14188.64804 14663.37561 12870.71116 19046.30424 15086.0976 13661.16761 15207.6265 17271.97133 14468.50463 11314.93419 14192.9176 18188.88634 20092.2313 15535.02281 15120.97918 12428.5855 12945.09854 18825.84806 15200.85044 17813.41448 17010.17528 14498.32112 16032.1147 14350.00547 15584.35568 16770.0049 16219.24569 20854.08461 17938.52996 14703.80389 16501.82167 16095.34117 10924.55842 15491.70563 15993.48225 18473.52197 2-Propenyl hexanoate 5567.30826 5478.46582 5272.070156 5529.366841 5773.117344 5468.508704 4666.913293 5208.899582 5110.902926 4400.556106 4666.764364 4927.862794 4527.41901 5808.14805 4001.426924 5239.58679 4027.671728 4715.030824 4220.009117 3885.171673 3632.113368 4348.804133 3810.050682 4001.871547 3939.723365 4795.275969 4667.057501 4027.7625630000002 4944.443298 4635.945172 5909.311964 4443.390372 4495.53162 3955.594387 4219.031765 5522.531564 5182.430683 4628.787231 3944.440604 3756.756403 3873.641188 3967.527795 3962.040131 4981.06762 4579.902427 4740.066715 4496.273614 4472.066539 4221.727298 3662.158789 3120.27681 4611.884499 4821.245095 5727.958803 Zinc dithionite 13491.86055 12984.62416 13783.30774 14044.74046 13110.56875 12014.57443 12301.37713 12517.32158 13557.04171 10039.34866 10354.06351 9960.433037 9994.202637 11254.14225 8668.500633 11680.33606 9172.517613 12106.8993 9985.16251 10506.79857 9660.822684 8803.132909 9529.576721 8698.380306 10332.80359 11397.02324 10198.47767 8802.463223 11120.1771 8668.025241 12158.37704 8806.660302 9698.821525 9201.092845 10954.8702 13020.69348 9800.401879 7848.753693 8995.061154 8528.568718 8622.844411 8897.115011 9840.295275 10764.29147 11284.50808 8636.439928 10512.85112 10013.63134 10583.94845 9743.587526 8812.32415 10049.99109 10805.53127 12112.10663 Hesperetin 745494.5808 1177054.382 1384380.222 1701516.019 1035558.765 1296679.569 2005145.163 1731493.818 950988.6417 183188.8303 172785.3768 230933.1799 176776.1631 243607.9166 159641.6014 164322.5706 136624.9581 445416.0047 151302.5372 128116.3912 130525.2364 209927.6199 75282.04109 82687.28942 154379.9387 91124.26192 225675.715 132968.1512 254367.0399 274327.7558 256555.6592 206274.2095 149147.5687 120408.3499 244800.8071 231180.127 375244.3105 378726.0454 420530.4533 124312.0536 136387.0193 114998.5133 61869.84052 125373.4462 51442.44998 162533.4914 136887.9747 421399.2323 429979.4584 735111.4082 272334.7383 449908.0542 229787.0968 729346.5116 Prasugrel 51032.83763 367680.9257 43580.36495 91285.44103 101472.169 108414.1132 230285.6462 216494.0866 124557.6611 23670.38118 13477.24306 16450.00933 21430.49373 15580.47814 73962.71809 10532.74658 25142.32197 34698.65264 50841.63461 29540.34321 67429.8556 46084.96561 25409.55137 41603.24764 56858.97319 84786.22909 49854.58575 55067.48788 57990.00915 20212.02265 75055.51244 49170.58622 24355.61621 59677.57644 15872.42492 14941.60885 141769.7885 47071.10018 103230.2471 31184.83117 41784.10054 40176.14311 41689.41689 165033.8034 15450.77098 255249.4528 237263.9201 65942.4659 375223.0597 215723.2621 96393.04606 114996.7092 25065.8552 110644.8968 7-Methylxanthosine 14276.29051 31383.3234 27227.80274 42064.83395 33012.95534 23154.20112 36612.92849 25067.18984 19393.23657 89796.49668 102674.3672 92657.33335 80468.09818 67583.24119 42825.46804 51321.00892 7069.812455 44262.05515 16762.77756 12253.15609 18555.67839 13426.44357 23416.92896 22396.69949 20228.96862 19237.06419 18435.53791 61949.36725 101866.6352 52805.65068 65484.16804 73998.38393 92049.45439 75630.59447 34979.84089 56013.02157 24692.72925 18054.71748 21287.34198 20041.53731 16211.80184 20915.73488 23308.48007 16865.55684 18248.42887 16712.68715 13703.50817 15919.85816 24189.44347 46797.65645 72728.45475 18598.94494 118072.0696 28511.31142 Methyl 2,6-dihydroxy-4-quinolinecarboxylate 45976.38583 51912.28665 62945.66574 22824.64944 23404.11381 63271.51483 56072.58475 48412.1456 28986.01361 15688.28502 8746.481717 7258.600091 12744.82544 4588.553821 12507.40302 7431.975394 8842.175982 20577.68414 29595.47148 14691.57825 19777.51043 26912.13315 10012.66465 25293.88643 18039.22014 14088.70502 17799.91988 8375.058382 8566.400596 2836.38986 6131.277815 3592.916874 8017.254029 15522.38144 4718.773644 4040.451329 38369.16083 32479.40552 42740.97535 19540.52343 20100.50083 7186.733938 12247.84241 20314.01098 6665.482028 17618.48338 12408.58767 36933.74775 25331.70949 41417.52778 6459.522824 21794.12023 2320.54033 44576.48712 Dianthalexin 83417.94803 58872.98948 62700.23055 44880.45512 54146.89143 36161.12719 49253.29478 59880.905 69556.05057 24756.74343 19371.23956 14245.07526 24842.92313 13977.34365 14354.69566 10598.91763 11029.11531 19766.87174 99032.70718 72656.65593 77882.84242 79462.4834 74862.75596 57841.20463 73453.88677 72231.46416 75317.5536 19992.75026 21345.94461 13185.04001 18866.74843 20795.27017 14459.55225 16758.80639 9679.215054 16057.45956 71092.04118 83729.0864 71317.59065 78217.63048 84549.53988 77141.30855 55385.87767 69603.04496 100226.75 65885.17457 55502.1496 59215.64405 59040.58151 48550.26268 22083.34579 68562.10694 17054.44136 62565.63411 Nizatidine-N-oxide 6721.704148 20386.19324 9569.824828 13442.90228 3736.443407 19898.39307 18784.62986 19635.76342 15590.47043 68617.47742 43396.05972 56087.08601 57100.90928 45744.65103 32358.74392 31746.85676 20679.33227 43083.67391 919.9800339 4.07813e-08 4853.993816 4.07813e-08 2122.428286 1722.972026 4.07813e-08 13666.47543 8344.416856 41089.1864 43850.00799 51437.87329 34408.00928 30434.78844 66543.09763 41659.59811 28321.61578 55444.64738 4027.924479 8511.95107 5412.896813 6545.048013 2091.39034 2241.328217 678.679524 9314.99313 3222.921258 4.07813e-08 4.07813e-08 10020.87403 9858.602869 12782.27961 37959.90949 6507.272374 36616.22728 3271.990936 7-Hydroxy-6-methyl-8-ribityl lumazine 9136.870762 11965.54518 10715.83257 12742.83563 15247.01282 8871.51552 12654.85762 7703.453413 5941.504497 34580.48727 45502.25045 38061.99462 35518.05369 30634.85958 25631.59491 26954.28127 12239.38889 14126.27277 9328.337444 6836.436063 9018.416244 9635.094126 14453.90989 9397.470799 9431.396567 11751.01953 11498.02052 21885.55223 29066.36926 27829.20725 20636.17326 34147.2779 46684.61778 28894.64569 15239.23352 19211.65059 9976.310887 9929.065715 8586.798243 11549.64757 8340.937866 13629.45055 10899.45654 12319.80677 13907.70609 9218.740051 8648.120372 6610.391967 10551.46742 10663.14692 33342.353 10724.12747 37265.44571 9686.259794 3-[4-(sulfooxy)phenyl]prop-2-enoic acid 383.2770108 866.4631248 628.9535124 874.0924462 1346.485069 987.2162871 516.9813844 955.4330742 1033.579315 6891.473078 5143.543047 5560.45695 6245.56739 6039.641521 4818.496335 6631.19794 7312.324532 3014.434365 667.4972603 1946.561263 529.2837687 601.6972094 1282.232441 817.0639172 1037.373707 4243.530477 2657.871668 3941.469665 5953.456725 3815.123163 6038.033812 3302.528435 4594.329179 6921.842537 6963.455764 5806.504918 188.8329775 816.1894572 539.8628663 638.2005262 1447.242903 1081.010456 1181.142908 3485.817343 1417.508981 930.1218868 723.9021251 973.851514 657.0244706 454.2708187 3161.398586 755.7439874 3443.330124 1121.934181 Forchlorfenuron 2535.452809 2163.850922 1823.041317 2531.162742 2585.441604 2273.262853 2711.987933 2312.855496 3147.65249 2646.829507 2255.686821 3883.2397 2155.211803 1719.432302 1555.541932 1357.012569 1389.936273 5440.566964 4125.936991 3303.328771 4176.677841 3461.681767 4504.786757 3243.12264 4712.305838 3291.945458 3072.863524 1238.354284 2351.419438 4234.109994 1619.191797 1422.611779 1819.369654 1324.841345 743.3187448 3366.48731 3285.354612 3122.643687 2524.861973 3405.24045 3264.300524 4337.90062 3798.73712 2538.827088 4494.219601 2986.475911 3210.082384 3436.564969 2949.222732 2551.586486 2129.113537 3727.254095 1698.070077 2607.931127 L-Djenkolic acid 254.2859875 2463.238364 354.9653687 454.2295976 150.9307568 75.49064906 935.8955062 120.402864 421.0029117 7043.770661 6108.79605 6758.874493 6350.013498 2053.847679 10246.21166 10944.17461 3124.550154 843.2214994 606.3230084 916.0744991 1033.205876 896.5674596 258.9871343 502.9346373 443.4319977 4.07813e-08 4.07813e-08 11166.96186 5739.212 816.3700633 5351.357586 204.3128528 3690.106761 5651.023586 18376.69942 8548.669622 435.816301 107.1884949 4.07813e-08 260.0784867 775.8394524 274.5681353 132.3457326 4.07813e-08 369.067032 296.0406155 632.1357618 468.1234044 202.9183976 4.07813e-08 1364.40024 4.07813e-08 1846.216191 385.3521969 1-(Methylsulfanyl)-1-oxopropan-2-yl acetate 2068.675956 1144.143009 1016.990468 2596.088303 1417.155572 1292.692807 1469.371107 1358.70288 1646.100297 216.7475344 261.4947516 219.1808327 271.2094561 300.0665637 222.3723994 196.3380875 198.289889 539.626132 2083.821717 2869.504341 2677.291655 2188.886461 3315.789545 3016.94867 2657.747297 2163.906588 2062.295563 4.07813e-08 192.2009219 229.6620182 505.1497706 398.4452917 214.617878 753.3892466 207.9779962 566.4098779 2382.676806 2006.417121 1705.072016 2743.957041 2509.758562 2939.636718 2244.183705 1979.683584 3780.713627 2324.43596 1690.087343 1497.758863 712.1553636 1036.915326 624.4450235 1319.29398 4.07813e-08 1838.271617 Phenelzine sulfate 437.4759558 476.3376909 390.8690249 470.195619 895.7827804 728.85446 662.8895176 706.7121452 645.5138205 3.476891269 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.015747374 4.07813e-08 4.07813e-08 2941.647257 2765.663575 2304.300887 2211.461368 2941.395903 2159.108601 1794.981672 2974.089401 3381.456306 218.0058968 701.6635839 5.157885123 474.3784426 784.770861 4.07813e-08 335.5741723 4.07813e-08 4.07813e-08 1870.821177 2085.213227 1821.344251 2648.844561 2239.948479 2309.685868 2450.943966 2862.467915 4221.398119 1442.387617 2146.099271 1738.034402 1545.015568 1537.303206 293.3606469 2028.5381 235.8008127 1732.12325 3-Iodothyronamine 394.2964598 708.7220277 254.9470505 324.6169541 4.07813e-08 269.1264656 391.1729954 375.7016704 693.3002921 582.456132 469.5253289 435.8459818 881.6288673 688.6014775 435.8787897 534.6436822 1246.980028 761.7160224 4.07813e-08 84.97666388 67.55612031 4.07813e-08 98.69318149 230.7958122 66.76177043 502.274113 70.48571074 530.2936019 885.0767708 4043.622957 4672.550876 976.0833383 4481.836783 1297.172985 891.4116527 2896.531407 279.9273805 110.4401279 190.308568 4.07813e-08 361.5397089 147.1903388 292.34862 244.6352578 172.8095314 693.7783425 281.4863843 234.1236818 174.2754624 442.2175896 600.3606147 868.0884044 897.0302052 663.8925693 Ethalfluralin 4380.994427 10351.40839 4487.75276 2166.810254 4947.569167 3114.947553 2441.258327 21452.29807 18912.755 273.7039717 97.26433306 5606.947557 424.6263084 87.78148736 767.6508391 4.07813e-08 948.1926296 1193.593968 3315.336831 3737.22096 2264.227737 1472.595655 2123.579104 4085.929837 3522.537608 718.1424462 2268.417165 964.133067 460.8337598 70.65214281 950.8485038 434.5857801 393.9540832 285.4784957 689.7815533 259.7674902 3563.777339 2186.395002 3148.7495 4469.272783 3816.673958 3772.568257 7858.73446 2777.246511 646.7170968 16655.8059 6846.635039 15914.89026 10942.68222 16682.08956 683.7154066 15043.30354 1299.568948 5326.224579 Thiacremonone 1860.465221 1607.149918 1492.4485 2236.777597 2204.898506 1684.305069 1747.921095 1390.520313 1165.530007 1111.750053 829.0216048 1049.583217 1224.913189 695.2783602 757.4513005 644.3040432 681.6603897 698.9500129 3394.615031 2924.698491 2984.217727 3230.412302 3374.481688 2784.334134 2883.294282 2995.820935 3197.3 1056.591998 1047.783835 853.7827565 965.1510337 1108.802087 898.8991055 1028.988075 687.4599506 732.5579575 2343.31008 2946.935468 2284.892156 2784.475562 3551.701342 3131.137035 2499.820607 2446.775881 4695.149941 1830.592109 1594.971864 1971.062282 2029.317862 1815.136125 1142.878255 2186.154605 634.290892 2205.116893 6,7-Dimethyl-8-(1-D-ribityl)lumazine 1385.781664 2718.969557 955.722948 436.305108 401.3045322 1719.094023 843.1899057 1424.746997 1671.214866 2686.781385 1921.436179 1672.991591 2188.515716 1476.17263 1094.514097 623.1295873 1814.456249 1806.026643 2248.667366 2046.554059 2808.652601 170.8097179 1476.935015 726.6651927 935.0343929 3532.514066 2123.332342 1401.872493 2226.963097 2054.397446 2076.264874 2923.750962 1600.596809 1566.012612 881.822625 1375.068074 3894.359554 2027.031378 3461.234849 1950.350933 329.2109424 1122.735185 455.2684812 3181.663209 164.7848658 1469.322261 1419.617851 855.0063843 971.8464623 3981.150967 2484.045174 1007.571466 1447.475629 694.5554552 DL-Dithiothreitol 641.7736879 1261.035615 522.1169075 366.4916511 83.81251508 4.07813e-08 533.5512006 382.9738104 716.309947 2500.748521 3302.067907 2404.733509 2808.336769 1380.848951 1544.518369 495.8689326 608.8810344 1084.916561 2814.613419 1479.433412 1213.233049 2376.721091 695.8164056 4.07813e-08 1741.246648 5032.601345 126.1420893 1506.914292 2496.636032 1553.102971 1439.184262 2982.207989 1545.756596 2071.652008 479.8566588 1344.148185 1811.610507 1076.539449 1186.882581 4.07813e-08 3171.517927 2199.763265 4.07813e-08 2792.495722 7715.159497 4.07813e-08 504.9495816 525.5940212 1403.042703 762.8623276 3451.633694 65.54629418 2806.935039 438.38981 phenylglycol 3-O-sulfate 44.70220534 4.07813e-08 256.9551456 4.07813e-08 288.9803098 81.20307595 4.07813e-08 219.718923 784.9607042 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15491.50854 775.3804945 1278.970361 459.313639 433.4997009 427.454176 395.0064573 1103.360555 715.6121052 4.07813e-08 4.07813e-08 4.07813e-08 1003.599516 4.07813e-08 4.07813e-08 671.1125883 4.07813e-08 37.77318658 1056.173076 314.3012761 325.6383686 761.3843954 387.0898522 521.8069667 400.9064322 826.31003 562.690294 238.3306516 838.3853911 314.29753 286.3995744 444.4546871 97.74999129 718.5819839 4.07813e-08 167.1849304 3,3'-Thiobispropanoic acid 4.07813e-08 988.6852863 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1083.787346 1900.369339 188.1138861 1507.834866 185.6622331 45.48477841 33.67072941 271.210006 225.8529319 4.996761755 4.07813e-08 4.07813e-08 6.94072704 17.87999575 6.545161001 4.07813e-08 4.07813e-08 4.07813e-08 211.5682258 94.09955757 691.231376 449.817821 209.5288008 56.11264638 809.650404 235.8439207 2209.419926 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 420.4150354 233.7516838 4.07813e-08 210.526436 14.5532307 Dihomo-alpha-muricholic acid 3014.992304 2193.797242 5061.465185 2158.875934 4782.477496 7455.949542 4122.851418 5769.66494 5651.132545 1063.342257 4.07813e-08 3974.391463 861.9640972 3351.750644 3179.352216 4.07813e-08 4.07813e-08 7687.405875 7070.255439 6587.563047 5428.979651 5428.672196 3883.851713 5951.591854 4521.702388 1659.927335 4.07813e-08 4.07813e-08 4019.891729 4.07813e-08 924.6510318 4.07813e-08 4.07813e-08 2712.459263 4.07813e-08 4.07813e-08 6168.21404 3421.187623 5396.95311 5207.654196 7274.609167 5261.306005 5361.013622 1876.862275 4.07813e-08 9986.285969 15290.45287 10295.22728 7237.187133 3943.41666 4776.469331 7575.723476 4.07813e-08 5380.581337 (Z)-3,7-Dimethyl-2,6-octadienyl butyrate 5252.061345 4389.483877 4511.051082 5352.150246 4774.871024 5639.335651 8670.241165 1984.169486 5321.599155 1964.929762 849.7732329 435.9501954 1182.49684 1346.861319 771.9344543 596.4745027 185.2210475 1110.184876 3563.535157 7079.780241 3844.055867 6237.012834 6855.181285 7013.761757 4994.151383 1368.116212 1606.972124 735.4198261 1520.773171 838.4185891 1276.694758 440.018515 379.6773165 525.0080325 88.63985053 1103.140814 3408.617568 6263.159699 3580.535032 3311.910289 5845.167551 5621.022028 8488.230862 1293.844535 1672.039753 4784.056669 4827.809693 5997.445417 3641.675074 2712.949637 368.1234975 5171.254035 834.4153786 3090.482891 Aubergenone 1920.075191 4327.234539 4242.788825 6149.284226 2289.936163 4641.422936 8056.344946 565.0891646 3055.637724 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2997.793508 6038.89437 3338.794267 2981.289383 2089.329717 3731.959233 3190.200564 4.07813e-08 138.7111635 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 96.76937328 4.07813e-08 96.56368189 4.07813e-08 2040.23921 6047.665175 2940.365655 1791.746797 3423.09466 2496.690882 5106.677237 303.7356963 381.0513112 2393.761992 3136.551628 6338.337375 2509.64613 758.4746763 4.07813e-08 4786.367851 4.07813e-08 401.300099 p-Menthan-2-one 4405.203109 5527.447572 5034.372355 3546.825414 4502.750464 6248.672929 5996.034933 5272.374923 5506.64898 3550.391809 3295.568864 3333.484153 3701.624174 5779.768262 4223.636416 5766.249401 3733.51536 4786.435252 3055.787724 3336.282706 3770.549177 5074.583483 3773.796068 4055.180416 4327.685902 4432.698133 3901.587313 3676.576944 4219.732515 5654.175747 5947.120063 4083.726154 3924.84637 3792.133056 4468.364237 4923.152388 3613.799043 5345.715292 5372.721486 3929.201582 3505.378715 3803.218248 3656.333989 4607.720062 4558.184044 6232.435333 5701.285339 4496.916624 5295.394936 4560.083273 3148.01071 4350.407326 3671.283491 4107.772577 Methyl 7,10,13-hexadecatrienoate 5102.565748 3420.7075 6891.301472 3988.595977 8268.225013 9120.376076 4314.293865 3913.017964 3639.348384 4097.973805 2559.760026 1553.505444 2552.653632 2027.097948 4280.634494 2199.929505 2583.539977 2476.319416 11875.58851 10998.34028 7419.590393 8780.823591 15671.03512 12561.56786 8009.598242 12404.40243 14393.39995 838.858646 1536.533134 1515.950118 3683.257676 1109.426802 2014.890367 3931.935823 2106.897388 1776.984738 5457.109326 8302.467711 6975.147487 6639.857809 9044.408553 13086.23837 13333.59599 14040.74984 13636.31765 8314.628851 6082.407797 8771.87234 6292.650746 2510.097961 1869.355987 9933.503469 2464.40715 8518.383306 PU-H71 84495.92618 80879.74706 81333.99713 82863.47188 86111.73492 78730.61031 82516.03771 86167.52621 84700.84532 63228.16201 52432.22102 63236.95789 57729.36182 69666.22162 57591.34478 76481.46755 58109.49849 73467.24915 61746.00374 59690.83499 55772.35131 69561.1495 61383.71244 65603.32159 66078.64937 68888.76593 72441.97791 53630.02728 66177.55248 61028.91081 76183.8628 56223.98147 60463.78722 59050.94792 68297.21661 76362.79289 76200.38105 55241.56763 66925.76631 57037.64942 64255.45298 55291.63927 76753.22007 71250.01648 73603.96606 70638.22926 69809.65265 62671.16508 72439.61214 64573.49622 52483.65913 74124.29472 65553.88665 84221.05187 10E-heptadecen-8-ynoic acid 1284.257437 1089.160304 1086.811917 573.6630609 276.2076801 883.460051 845.4228767 955.5391057 2387.110253 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3921.204499 2434.997372 1373.552695 995.0581371 2655.329215 4231.939957 1721.102477 3638.997878 2588.858217 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 382.049 2211.63251 1399.509794 1584.270363 1706.361931 986.6415119 4812.734027 2290.815004 3759.374179 2524.906071 1141.645009 1156.348118 457.2891458 4.07813e-08 4.07813e-08 716.1291709 4.07813e-08 2150.086317 {4-[(E)-2-(2,3,5-trihydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid 37914.04062 48094.41389 47660.33673 47094.2533 53393.16739 45210.14687 41164.48158 53722.97613 52505.70443 34682.85251 26812.20405 35949.01069 39075.96879 41036.07567 31786.71109 43063.24313 40032.00697 41132.93188 26183.98662 43435.3333 35337.61496 36907.26568 42701.16989 36710.14043 42968.98818 34170.46228 36306.78882 30754.49106 34638.02239 27569.64701 40707.30067 29799.43444 31730.71262 31819.88086 40721.82411 46735.93927 46406.03791 30023.25498 32013.6701 38732.96753 42190.12256 39028.80845 40674.77365 45678.4391 40883.23965 44064.16992 53981.48387 42632.804 43860.54115 37892.80545 35633.85307 34658.35714 34381.47971 49673.2126 Cammaconine 4.07813e-08 2026.73699 6952.3969290000005 760.4954472 1982.4395 12864.05474 3426.964275 2173.004028 1431.333719 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.00628596 4.07813e-08 14327.53483 8888.042812 13425.84378 14112.59352 15855.56431 16742.5434 13612.92806 4004.375312 3929.917155 4.07813e-08 4.07813e-08 4.07813e-08 1327.53155 4.07813e-08 4.07813e-08 9789.864695 4.07813e-08 4.07813e-08 4.07813e-08 2394.313643 8377.414458 16306.48139 4005.457329 16806.53674 14564.90162 2000.426346 7923.222606 43446.20652 23164.35742 10365.01346 3305.368507 2704.450609 4.07813e-08 10460.32731 4.07813e-08 8735.466601 Risperidone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7185.72538 19869.49343 9816.435641 1516.560975 50897.62589 5558.800691 13909.94536 90283.32981 29161.65128 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 156.5912343 9052.101862 22677.53674 5306.756086 13358.82204 4.07813e-08 4.07813e-08 11451.80165 30987.74464 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7193.390563 4.07813e-08 16905.70766 4.07813e-08 Phosfolan 2195.663841 1923.947537 3532.547396 1712.145931 428.5817385 1765.994321 1924.091174 1491.438424 1633.247696 971.7312342 1117.345678 1787.568016 1942.567442 1454.797711 925.6589358 1871.660553 923.24165 2116.459228 1618.262635 1615.609153 2095.694882 1365.36645 1315.770409 946.4130929 774.0278081 1607.265261 944.5831745 1576.401583 1110.580396 3126.453426 2745.084481 1805.220099 1452.695679 1077.155903 1003.034257 843.1840841 739.7170622 1530.799671 1172.38229 1257.388764 1986.88708 1692.591472 1848.412452 2194.610983 1267.605036 1536.21031 192.0779151 2054.81675 1377.800932 971.0334275 791.0696242 1834.921224 1796.452642 541.8787499 Blue pigment 112053.5721 103577.9293 108213.5076 108568.4835 111122.3038 99225.92038 101317.9336 103122.7321 107596.4306 87053.3389 84175.56301 85524.52099 86467.28687 93273.06233 74699.18584 103754.5025 74682.39955 99438.20434 78469.98419 79767.63992 77837.86693 80295.77403 77667.66484 76528.36372 81753.6565 89377.45667 87521.77662 77213.45552 96885.27802 80878.26838 98220.7724 77881.28291 79905.07977 76734.61059 90523.68014 102688.9679 90844.54384 78395.19831 81513.80962 73178.73309 71360.60746 77246.61941 79438.28508 92268.42551 93444.59134 87359.84578 87009.06516 82723.17129 86072.86973 81053.9004 67636.29119 83590.80585 93330.2758 103082.8796 Pyridoxal Phosphate 9396.095215 9709.374561 7212.852873 7895.970636 7264.935422 12216.35787 12868.24126 11223.58902 9179.28658 4840.998939 4969.864737 6432.578292 5522.585757 11866.85015 8574.816483 9021.256724 7146.440462 7902.946165 6405.804606 5148.922924 5317.047342 11030.00126 7368.137703 8614.481759 7134.698358 7178.953018 6008.252376 6308.870961 5913.265043 10505.02658 10562.94532 7660.293021 8422.699799 5272.691973 6548.517098 6180.589212 4315.507975 13311.09049 9976.433805 7090.628275 5943.894018 6356.071195 6495.232272 7902.171479 7078.549311 15469.47015 10240.82261 7935.466277 8155.680823 7363.631283 4734.573832 8326.258755 5671.873859 7100.914674 cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol 2336.661778 1914.07199 1636.81566 3299.739486 2546.22796 1317.443304 1824.047679 1680.389759 1428.189956 464.9120403 801.8595457 546.8665383 673.9715556 886.760661 590.1121563 554.0053653 382.2573051 377.728322 1496.080861 1763.648075 1681.650724 1822.923675 2204.128672 1201.945161 1526.929329 1609.046038 1572.034985 557.142711 582.3315162 818.7248354 309.9416345 500.9430762 899.4079813 517.2373175 741.0903736 640.2080591 2641.330146 1525.494232 1284.170139 1668.712027 1356.83573 1877.539789 1188.511837 1718.830881 2021.383335 1054.366783 965.0257132 1401.815798 1609.924717 1363.966449 563.2359606 1398.08046 741.1092588 1530.705288 2-Oxo-5-methylthiopentanoic acid 4.07813e-08 52.90115686 4.07813e-08 42.35536285 91.73224129 73.51504638 192.8175863 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27.61255095 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1230.122681 1625.754932 1077.02167 889.2984541 1173.014793 1230.045102 1157.681871 1747.279167 1317.388526 84.60905745 4.07813e-08 4.07813e-08 4.07813e-08 33.32410508 4.07813e-08 42.46919169 4.07813e-08 4.07813e-08 896.2799907 1038.822853 967.9329846 1120.576262 1412.138995 1245.023556 931.3119867 1255.000723 1960.808758 601.1737627 811.1884221 989.826999 728.0969654 855.0918568 26.54139912 613.946167 4.07813e-08 835.9842467 PKODiA-PI 4.07813e-08 9563.686667 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 453.8359632 4.07813e-08 106515.1276 105480.3307 96593.19709 100255.4039 83114.81616 89565.09297 34705.26976 48589.60352 115545.1085 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 81634.18782 116609.6771 83165.43732 88298.55306 119781.219 112547.43 133529.3515 22621.83161 72495.69196 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1237.873357 148970.6448 4.07813e-08 88946.45651 4.07813e-08 3-Hydroxyphenyllactate 577.9358099 1016.141576 712.0725241 1474.078603 940.3897544 575.3646011 579.1234628 755.0701146 469.0992904 682.8390428 710.9189354 899.0579116 519.1066412 607.6824371 564.4057362 456.0596725 581.7052673 1110.052374 233.9839474 419.8262802 322.142787 482.7104025 284.0896543 192.6157674 365.4371598 353.26644 229.5129017 782.6690067 965.5946563 641.5184719 607.8530424 928.0713994 885.2875783 914.0687878 494.0030291 738.9093635 839.2725038 374.911368 334.3904264 222.7393516 346.0558808 379.5007753 164.4666772 416.1477703 389.569778 68.96418728 107.19397 286.8396584 587.8702458 907.3543167 1053.91042 305.6394883 590.3515214 440.9762621 7-Isothiocyanato-1-heptene 4.07813e-08 138.0945695 61.92718522 4.07813e-08 4.07813e-08 61.18853473 4.07813e-08 253.3860902 184.0796241 270.6277982 300.2936881 284.5469673 468.1951148 499.0235598 225.2442811 4.07813e-08 1310.558795 868.8880895 4.07813e-08 187.003541 4.07813e-08 40.96216032 413.7362083 684.058037 136.5158233 84.06023952 165.3786257 714.8581311 728.614398 1168.561842 579.9828169 1389.475851 429.740568 578.4904132 579.7152118 1131.889701 261.1393397 61.28723345 4.07813e-08 95.82372489 75.95620585 513.0327267 435.0802629 44.62330276 72.05510326 94.4728724 177.6672262 192.4717841 272.6017809 570.1509993 689.4205667 93.57886789 407.0777733 240.6145458 Topiramate 2582.990869 2538.295708 2183.361093 2355.20719 2710.996332 2637.723453 2641.053039 1418.009408 2506.035294 1933.228294 1506.461756 1730.343684 2452.896178 66.26095442 980.736555 131.4204589 1797.811289 89.19550312 4623.998726 4291.52625 3549.395459 3778.197252 5905.930132 5059.537764 5713.39963 2615.161411 3303.03169 1055.184655 666.2010868 2053.572051 280.9308646 848.238992 1418.635888 1857.31753 1010.665587 237.0335458 2976.569749 4386.537151 3331.561995 3758.891722 4457.1501 6132.283749 4085.117927 2960.868881 5159.925277 3124.651789 3779.114939 3080.522957 2813.100782 2988.723841 2115.442251 3339.746544 1181.622929 2869.182135 Calomelanol D 4.07813e-08 485.1141717 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 228.8370603 4.07813e-08 53.38249537 10647.30676 6008.220079 6033.576063 11035.47512 5672.367196 7658.017481 3138.574913 14139.72512 5409.885707 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 69.46095652 4.07813e-08 9.547639384 9730.961512 11952.04215 4454.886126 6541.080751 7160.361327 9697.150431 15854.59426 9275.198494 4514.562728 190.2182407 4.07813e-08 4.07813e-08 52.47010772 4.07813e-08 53.0598184 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 66.24971067 4.07813e-08 176.6270318 11591.99444 141.065881 4070.148157 90.77210684 Fluoxetine 138.8787763 2.576276918 391.632568 12.09451584 14.50785923 200.9823739 287.5001872 53.26103449 156.4644203 0.038739455 3.11266413 11.41357818 2.479218256 7.708780544 4.080844541 2.287520562 4.07813e-08 0.018411296 2994.748155 2981.256534 2429.140939 2503.981312 3393.073405 3016.713326 2735.41454 3382.307646 3588.569727 4.916330286 11.28693652 2.095764342 0.449171663 17.62713054 29.03668009 8.074032119 0.148444745 1.186930445 1996.156157 2058.437468 2258.67514 2794.708412 2949.304199 2733.538987 2723.500304 3960.145661 4490.585716 1824.250153 1200.80423 1861.849215 1650.807226 1345.488346 16.53722332 2097.560712 5.66809515 2065.266336 5,7-Dihydroxyflavone 65.9082914 89.45858009 155.588867 4.07813e-08 4.07813e-08 56.63919443 4.07813e-08 221.0044351 598.1006177 237.385325 151.9631224 436.6306975 252.9561797 4.07813e-08 638.0266885 1213.292808 585.5253497 77.74034465 563.8148507 960.2637275 186.3404722 429.5896209 409.1060679 358.1935578 478.20812 222.4886401 473.3493469 4109.823508 647.725244 787.3913522 1458.469287 1209.950711 1339.014161 886.9505031 1680.141576 636.5836633 397.143101 623.7910409 271.1958154 360.7432872 594.327654 593.0614649 323.5933278 86.22335476 611.4035231 109.6916879 267.6930768 460.7099985 567.7619201 516.0930461 1077.133944 439.7495638 1011.224411 136.7487539 Ritodrine glucuronide 2 4.07813e-08 4.07813e-08 321.4750775 898.4815885 1913.071572 453.7706019 4.07813e-08 4.07813e-08 4.07813e-08 2259.125447 1914.844447 2597.889511 2031.641846 2723.73824 1658.212614 2579.857707 335.1462549 1675.372564 233.4653867 370.1327126 81.14214294 218.7689903 239.0468306 442.4737937 374.2966912 387.4550828 419.5058496 1591.17789 1989.035614 2752.606187 1347.704088 1752.212744 1581.083177 2175.018408 733.3186964 3441.752651 143.737643 242.7699397 105.7088869 658.8232949 248.7921278 219.4593987 89.35057015 425.532306 277.3968046 4.07813e-08 211.4680489 116.6218501 88.20333687 4.07813e-08 2427.724409 4.07813e-08 2762.933511 99.61841056 Ethyl 3-(methylthio)butanoate 284.0950658 163.689211 398.1325367 421.5602511 515.6619723 282.7567936 410.9158984 121.7428821 121.642404 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 754.4401561 896.6671594 623.8732086 607.5214332 772.6334756 609.3263589 537.5703652 949.6567044 811.536382 92.74161471 4.07813e-08 4.07813e-08 4.07813e-08 90.00411378 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 631.5066254 873.1890942 511.4800967 449.6094003 788.374862 710.4011338 715.0275835 794.4370178 1137.781981 661.8230542 396.5004702 573.178691 435.2511175 377.6929846 4.07813e-08 575.5350244 4.07813e-08 527.4067425 4-Phenylbutyl glucosinolate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60.62115455 136.4642645 16397.14791 7.989434042 222.4704249 13.37313656 29.12287872 4960.870172 17913.61358 0.124642144 70.13594562 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13306.90484 252.9959035 20247.17896 166.314399 14535.49647 11425.45332 699.9166779 12210.59172 1120.424478 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5.267483027 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.622249578 6.429067232 2.50201875 204.1794294 2.046202646 8283.299718 4.07813e-08 (S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione 351.7842148 236.6968488 289.1786287 223.1981627 162.0834942 287.5984736 246.5775176 400.2872825 318.9376219 107.13784 72.43021113 34.28731704 102.4231146 45.52384647 46.0105945 4.07813e-08 20.65294545 89.32485381 515.884471 384.0690577 417.9670243 419.3111285 518.8165179 597.8929071 485.172546 605.3188442 518.2694516 37.70005628 57.07767592 45.30505601 56.48174076 36.88991434 65.51420207 113.2064888 42.47337677 26.3412225 317.4864072 387.0082735 455.2833254 417.0149548 504.3979152 466.8152167 518.672639 585.9542708 878.298907 294.5999773 303.8173788 305.3388319 298.2884426 246.5201097 38.13543254 278.5243514 26.66801782 378.710207 Procarbazine 748.164701 861.9600596 612.4842444 53.18760781 168.1868092 523.1290956 514.4118558 320.3398938 319.0355963 264.8455963 94.34078613 40.29496004 298.3598322 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1009.647168 910.3149845 678.9047532 562.5078013 819.8963777 567.1376528 639.5324633 673.0443933 840.083401 217.1092163 198.3879969 4.07813e-08 93.88787786 274.5659955 78.23293119 182.0812711 4.07813e-08 4.07813e-08 637.3085053 878.434235 472.9139177 646.9937146 832.4796943 729.1880645 722.5050821 669.6799812 1388.809905 699.6859331 403.2155438 627.2292959 440.2579734 572.3411719 234.9498885 472.3625399 38.13498335 732.6849833 Normetanephrine sulfate 4.07813e-08 276.0697741 43.93682184 113.1379965 4.07813e-08 4.07813e-08 56.22069114 4.07813e-08 39.13857969 1223.197221 1097.758817 1622.01973 1264.289493 781.1957988 1452.616453 946.8257231 1032.570831 1504.987141 827.3409662 588.5378723 294.9508267 152.8944678 97.23079168 87.9330419 317.8676268 353.5230558 435.7789495 1459.223782 1489.853816 1166.359307 955.7371751 954.6385351 1481.886269 2623.157721 947.2178204 1672.195143 387.0346379 246.4724302 68.58783298 202.1294339 77.8510086 300.1057376 97.53383146 503.4117511 4.07813e-08 40.36627345 4.07813e-08 120.9442504 146.3263962 521.7230256 1833.788971 86.94494843 1399.360692 69.46406168 Tryptophol [xylosyl-(1->6)-glucoside] 1.434304017 2.955426889 1.611611577 4.129639369 4.07813e-08 2.21003613 0.055495789 16.5988196 0.651089156 662.7124469 1488.782464 2464.781944 21.97006525 2038.297695 1961.110365 406.2838457 160.4206055 2.16162837 5.034081573 4.07813e-08 0.535723474 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1936.564958 771.6007053 1030.040681 12.61534373 727.4334571 327.3206546 3223.721012 979.9835497 907.8327317 12.44437423 4.07813e-08 4.07813e-08 3.51234071 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 146.4645225 12.99923866 11.58143137 34.7227698 19.55059565 4298.690173 9.162666488 2422.652283 4.07813e-08 Histidinyl-Phenylalanine 1225.880037 1466.285599 1060.928531 578.7583944 1111.255478 1547.370538 1117.829817 1121.574964 1238.811455 1462.304679 1713.901987 923.2985721 1187.937316 756.4027894 1176.343929 1738.832337 1215.11273 620.6577353 2741.386096 2271.295135 2415.026646 2021.064524 2828.546116 2524.18995 1965.926953 3014.025212 2626.483178 1723.419204 984.8006827 1194.228196 971.8168373 1958.228008 1705.992541 1443.865895 769.1668065 825.5185108 1735.36686 2422.435347 1452.75925 1947.886631 2223.672037 2894.241763 1818.7085 2503.680644 3172.20165 1424.824232 1301.0838 1590.931675 1303.615918 1514.025406 2712.447146 1697.26325 3108.698542 1756.656527 Nerolidyl diphosphate 861.1894926 453.5462381 418.0827719 1187.469741 409.1533127 806.4877408 849.6603833 1063.538047 739.1466598 263.9410307 207.6935682 112.9615701 380.5114425 170.4760444 0.038311169 4.07813e-08 0.012940254 194.9328826 2460.258431 2517.632599 3609.516057 2238.813107 3044.352641 2648.247075 1830.496804 828.1705371 1518.398339 20.0931165 230.7631901 133.9838354 0.273956027 15.55635518 14.40420859 286.5308773 4.07813e-08 187.4633991 9344.777891 1043.493289 860.7889137 2522.515849 1982.148912 1942.617846 1371.664366 271.6184751 2737.631839 1220.365163 979.9508468 1249.436345 906.6084877 557.6026691 311.0330085 601.0463331 80.80763383 1347.240793 Ascorbigen 379.9343494 4.07813e-08 226.8182107 236.9965771 946.706812 652.7560556 1123.292819 304.4940146 4.07813e-08 4.07813e-08 4.07813e-08 79.01392721 4.07813e-08 4.07813e-08 53.30467807 64.48854835 4.07813e-08 66.83538199 1831.25446 1621.28678 776.4023444 893.2834996 1569.630488 1970.628467 1503.342447 813.3754549 1525.698658 4.07813e-08 4.07813e-08 4.07813e-08 51.55677812 104.3898417 4.07813e-08 58.10027205 4.07813e-08 4.07813e-08 148.547366 666.6972124 183.0333402 489.3191628 1671.552116 1443.734125 2103.823763 259.4707813 1642.837325 1000.378887 1034.417774 465.947494 333.3321828 319.5301608 75.46700702 535.8038072 4.07813e-08 1295.014207 MAM2201 N-(4-hydroxypentyl) metabolite 1405.171171 2286.948958 977.0950041 1800.03736 1554.718967 829.0687123 1717.251559 1866.190841 2096.158724 92121.78215 64558.59329 1960.828757 72414.63709 15945.06914 17448.64286 22441.49843 7294.373865 9800.701121 3431.075083 3157.200351 2590.212855 2236.622172 3442.055754 2890.478744 3488.312197 3089.910849 3305.993302 18114.96102 16729.34955 9207.49404 1981.814922 1900.79175 4211.68602 28338.97641 7761.381664 3025.913913 2430.005092 2314.816345 2779.781892 2497.895921 2307.957697 3881.3754 2964.338766 4138.186103 4192.149374 1593.204219 1610.954012 1384.448329 1649.252748 2001.454624 5820.722691 1363.815275 23833.239 1313.854218 4-Hydroxyvoriconazole 81.04702649 90.08291131 4.07813e-08 4.07813e-08 87.83399974 4.07813e-08 4.07813e-08 4.07813e-08 14.48905095 2734.547951 1783.635218 5357.630032 2863.945433 2069.42059 1547.582467 2064.171574 1207.598039 648.6519663 30.43710442 0.660735349 325.7935557 392.999741 4.07813e-08 21.17197095 18.57428955 101.4520982 377.7372382 4364.541024 3666.069132 306.6920657 3158.75667 859.0732425 2247.976083 1428.996057 2078.151403 1455.009126 406.1977476 388.4289032 392.3360171 169.577723 63.02477964 292.4041523 4.07813e-08 3.932976197 162.7674549 125.5908145 2.408687399 4.07813e-08 649.8020851 249.9298073 1260.427188 219.6340391 1460.132185 3.567377296 (1x,2x)-Guaiacylglycerol 2-glucoside 874.9825555 1999.655066 94.7106334 1243.528948 482.9347812 397.1158335 673.8335883 951.4295256 633.9381919 2693.540381 1849.821848 1621.64357 2779.440967 886.3013703 1638.784984 1610.344817 2293.526254 1816.140734 505.5763417 728.5757045 1085.041006 295.9113327 780.0093931 346.2123621 497.039598 954.8727298 573.4259797 2202.497694 1701.773256 1910.521756 1597.542091 3065.537044 1594.55058 2793.212109 1146.579974 1236.052985 3404.228401 346.020275 872.6779425 255.2078761 334.3966312 1059.412854 164.797565 1140.837291 824.8554372 4.07813e-08 328.8183034 615.2553833 1223.636023 2161.413637 2225.813559 1020.370549 3374.978172 641.732352 3-O-Methylisoproterenol Sulfate 1699.89829 1782.215049 814.3383048 851.3769764 452.4671919 921.3368841 1421.884759 10.61530716 1231.588047 1166.570978 3775.869237 2224.036363 2004.931955 2646.974207 1293.751806 1076.922559 2828.768897 472.4851909 142.6878476 109.9552939 158.166501 152.2081777 329.9915017 118.1790475 788.4223449 121.8887006 6.634269895 1745.183416 3882.603361 4554.848487 1852.493506 5117.904985 2286.236091 2750.073171 2170.007805 739.1128498 1884.95335 198.5646575 12.09006315 20.36526512 449.6126852 374.3003124 191.2811171 4.07813e-08 311.6584667 724.9503928 755.3417335 792.9073394 1333.597381 1745.880049 3791.922824 542.2573004 1817.092087 447.779519 2-{[hydroxy(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]amino}acetic acid 4.07813e-08 333.0339466 352.33345 1434.452223 1476.264176 289.1343154 460.936407 987.5073956 461.6792524 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 577.9622525 421.2766865 1576.316864 746.4181218 1803.385739 421.4709141 1049.536352 847.0644277 1056.412025 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 622.5067481 563.4337327 752.3539902 1409.153954 1209.956481 1672.073865 344.8709429 510.943482 1435.402576 273.299935 114.2775042 544.5766657 1391.683325 1234.740209 4.07813e-08 829.6195747 4.07813e-08 558.829487 5,7,2',5'-Tetrahydroxyflavanone 7-O-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 2692.04056 2879.211949 1835.999121 3028.739167 2067.113769 2410.995896 1015.574753 654.6433831 2224.573665 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2531.965095 2787.630386 1292.947257 1691.483542 3574.837259 3106.410345 3926.528764 1087.737705 1824.797275 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4497.083336 4.07813e-08 2819.332776 4.07813e-08 5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside 4.07813e-08 150.1520125 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9484.393022 8308.077521 7581.784936 10058.23302 4412.690775 8324.891013 3923.215647 3635.738737 3667.124965 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11302.60661 10407.25585 5998.296742 7816.799801 12027.8143 8374.837719 14524.17024 5847.455609 6002.657939 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10.36168849 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14.62613384 4.07813e-08 4.07813e-08 4.07813e-08 11814.2689 143.7335828 8254.671917 4.07813e-08 Prunin 6''-O-gallate 4.07813e-08 1053.54132 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 457.084855 340.3973154 4.07813e-08 16141.80972 15759.16784 12518.53125 17213.24575 17344.45743 7981.810874 10160.61603 9278.668808 14865.07881 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6473.393372 8399.214915 14469.77695 6689.670604 7872.656426 12571.60282 8316.929771 10503.66243 13277.24892 2395.180275 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 184.4371623 6830.081777 4.07813e-08 6896.733683 4.07813e-08 Benomyl 6571.18137 5339.864851 6374.914631 8479.100474 8950.688796 7186.726002 6320.418943 6397.497683 5644.62731 1313.528427 1030.499273 1423.655047 1503.507929 1367.95643 1294.466161 419.4465402 742.8539869 2016.639908 13153.25349 13480.39526 13150.49951 11279.10255 15113.36276 13671.61295 13663.1199 12484.57484 14257.95937 1166.575015 1969.551372 1521.696635 1696.987745 2312.919255 1518.539268 1616.801227 222.048209 1356.226128 9262.934508 11295.12688 9230.732665 11149.00394 12789.74611 14155.34095 12164.82121 11898.83985 17083.26685 12709.59844 9564.925429 9872.004393 8700.32175 8847.105969 2794.703199 9580.173514 1357.568576 9582.59121 N-isopropylterephthalamic acid 328.7005396 414.8682159 197.4820369 692.4772655 314.3321449 37.10274466 488.682741 472.4746895 405.6110751 1187.110035 1148.442989 2732.232744 1256.447541 1911.896392 1196.213549 1333.607228 504.8197312 1384.178442 496.6240144 208.772274 558.6544702 647.8243478 4.07813e-08 157.5301209 367.3691335 138.1987597 41.5409649 1308.847095 1358.091138 1753.437381 790.5814241 1448.524738 2390.385329 2006.245452 1132.36906 1929.320906 1066.771611 237.8350798 292.3676043 175.5028918 348.7263771 293.6915135 45.2287642 66.25107726 339.8096788 41.81713394 176.7506084 49.96343779 430.7771558 719.1661087 1865.337812 309.0177637 1269.111743 239.2289248 4-Ethyl-5-propylthiazole 633.089946 675.1834631 1068.667776 1386.912616 1655.146991 1644.895125 1264.239467 391.3581783 386.9249429 246.8077614 766.4419333 621.4557323 338.8254761 839.4489761 490.8134066 439.7742031 105.2859774 4.07813e-08 938.7207041 878.9925901 819.3473276 632.8181635 1278.571118 750.2272879 984.6155652 733.5123092 1022.178605 461.7289235 139.9706768 551.3160257 148.6704384 304.1705732 301.0382296 271.7635517 382.2191603 741.8834222 600.1205373 709.2348257 709.8373991 953.7544603 897.4219669 1508.024238 527.0368345 607.3551358 1292.864485 764.0052765 694.2331008 716.0340503 643.4686831 721.726243 571.0905468 737.7833037 4.07813e-08 1247.325248 Gelsedine 2524.344706 2086.609644 3423.048951 2640.525759 2441.629202 3552.34619 2538.447622 1742.603701 2298.538049 765.021293 611.3037419 916.1102507 1115.497262 198.2209858 1560.706584 80.12908717 1551.260875 1186.63192 10194.76123 4995.034238 9973.60832 7592.790079 3941.136471 2166.272318 5485.558537 9880.541245 6790.541777 1180.74875 1651.348006 910.7944271 1847.528931 2382.342862 1324.407219 1771.172053 2144.342026 1542.123348 5055.93911 5959.867315 8431.714883 7934.918478 9614.151722 7174.155144 2546.934962 9766.969466 13676.26148 3780.584004 2792.61198 5474.618274 5138.404061 5256.121334 1292.732824 6012.546788 221.2292688 2214.369242 3-Quinolinecarboxylic acid, 7-amino-1-ethyl-6-fluoro-1,4-dihydro-4-oxo- 68.42369226 828.0464712 4.07813e-08 58.75521331 4.07813e-08 4.07813e-08 60.63345968 1.262653636 4.07813e-08 4.07813e-08 1023.797911 2394.157336 51.64662996 52.23186438 943.7762063 1444.409697 21893.99916 4.07813e-08 8.361644141 25.76996786 4.07813e-08 4.07813e-08 4.07813e-08 10.53199141 4.07813e-08 4.07813e-08 24.92028859 299.7031656 393.7667481 9540.234903 113.9262999 305.1352921 1313.983596 2869.627353 6091.647149 4.07813e-08 4.07813e-08 4.07813e-08 10.47959435 4.07813e-08 9.221746444 4.07813e-08 4.07813e-08 4.07813e-08 26.30698295 4.07813e-08 107.2111913 49.59793542 48.16630056 34.003005279999996 2655.229492 4.07813e-08 409.3072017 4.07813e-08 Cinnamoside 4.07813e-08 4.07813e-08 43.01801765 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5317.738262 4986.321495 3953.153914 3175.507815 6224.145919 705.3756576 6742.244948 2914.803308 8792.005979 4.07813e-08 4.07813e-08 13.89256153 4.07813e-08 8.215999205 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 273.0325322 6774.226759 4435.822422 2068.200158 2230.275853 1582.219746 874.8992932 10177.97926 2767.096585 11.719585 4.07813e-08 19.96727821 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26.5961764 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1052.606217 4.07813e-08 1599.968841 17.41964349 Bz-Arg-OEt 6451.535512 6301.206885 7257.596078 7810.757407 10735.06096 7424.744511 7139.519031 5031.537285 5910.933845 1257.494851 1302.868469 1350.685601 1604.181951 1871.48306 1157.870858 800.3708296 472.4327092 1295.177454 10635.94435 9758.370937 9225.39383 9476.791915 11552.8125 7911.715033 11383.7068 5355.19287 6750.06261 1016.226562 1594.064843 1267.630394 922.2655416 1911.838257 1609.843631 1375.529824 410.561709 1609.694323 5788.335598 6768.699648 8022.670781 7992.833876 9388.619359 11998.85623 7370.615602 4856.086037 6656.18359 5645.612847 5841.619645 8047.432757 6651.155703 7068.584959 1766.535687 8403.02082 1398.601656 4837.443265 beta-D-Glucopyranosyl anthranilate 4.07813e-08 210.9141806 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 69.58379949 101.7820508 4.07813e-08 2558.443959 1283.712523 838.7866856 1858.464252 533.2105024 1469.83674 603.1185864 212.7891524 1300.06843 4.07813e-08 118.3760383 81.44921269 227.6739629 272.6287409 4.07813e-08 4.07813e-08 0.020019882 4.07813e-08 2083.467219 1226.047643 239.4900619 900.6469478 934.6581923 560.5834992 2186.3707 509.5143587 805.5871478 130.4601635 4.07813e-08 60.15492764 4.07813e-08 4.07813e-08 4.07813e-08 58.88005665 138.6402478 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 311.610892 931.3879061 143.9072079 985.5172726 4.07813e-08 Camoensine 4.07813e-08 4.07813e-08 142.6134209 4.07813e-08 4.07813e-08 4.07813e-08 2.871788087 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1001.957445 1044.668743 684.0148626 859.8772521 1003.798421 935.8398628 625.6006834 1112.948348 1030.050889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 361.8881073 991.8332129 711.8326251 871.2030958 940.2957773 803.0344603 1277.355408 1047.307036 1395.539049 1033.540551 676.9514324 807.4534935 430.5522159 302.9449771 4.07813e-08 533.4755737 4.07813e-08 949.3080871 BIFONAZOLE 13886.9285 8579.489757 4580.968244 3413.219075 2451.340469 7267.225283 13221.9392 21482.13587 4208.309279 474.3550149 424.3902909 320.59253 429.224964 55.73027261 392.6386765 119.6638956 123.4679372 303.9756123 239.2914137 121.3357598 68.50106321 23.40120986 241.0659718 525.5349161 212.034714 93.70657839 28.86530022 88.35226269 339.3259597 322.3255324 121.4374604 98.0994766 197.3004762 477.5745638 259.1126938 36.80304544 669.2345914 19.9897387 77.59860542 108.0916477 332.9024013 342.4896516 81.56074488 4.07813e-08 26.68253827 76.2614633 14176.84581 5701.192082 22243.71373 7828.558657 65159.74223 12550.90594 2194.528555 4484.652869 5,7,4'-Trihydroxyflavanone 7-O-arabinosylglucoside 4.07813e-08 4.07813e-08 22.9480933 24.68014547 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 940.7366911 4227.114954 194.3100561 484.7444911 608.5909881 887.7354224 1916.859632 7941.663356 224.3850337 4.07813e-08 4.07813e-08 4.07813e-08 986.951317 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8704.617644 280.7756849 2118.761975 1544.078638 9893.620583 3123.121346 3921.00305 6680.512334 3558.234879 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.266613627 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2095.687944 4.07813e-08 2623.525135 4.07813e-08 Pyropheophorbide a 796.8667122 1180.648007 2043.926614 1870.92703 2645.149562 1881.127671 2517.071941 1594.836472 1325.396501 21058.52924 22471.76609 11148.32261 19500.37915 3736.555016 31356.06581 29362.88469 11537.58723 10440.34423 3942.306757 2238.217689 3305.795132 1274.948334 3008.255073 1592.260778 2717.618119 1081.569674 2771.265034 11089.05613 37406.33336 4144.911891 32572.87792 9797.04332 16314.38859 38052.84816 22475.28696 18843.13549 1309.791416 929.3782863 2212.537264 1571.061702 1965.725572 4123.604927 1972.668691 1699.672384 3639.776729 1046.413019 1685.042287 1511.09809 2019.24335 1817.114761 5934.817679 1519.414454 7175.001907 2540.63127 1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone 33.93026979 739.1730745 136.7352374 149.5805433 343.5762899 69.3530035 156.131683 131.8861502 279.0508831 1074.535522 337.1004375 1619.65108 883.261664 63.2952733 1877.15076 1031.829488 7820.283745 4.07813e-08 1630.21889 1630.622188 705.6730413 127.9337726 1040.081535 732.6883278 1167.683275 1196.955909 467.0441993 1995.361866 1561.305149 2906.584601 461.0582612 1686.897193 1335.863023 2844.1903 2637.527517 175.3933842 379.1738494 841.7014786 435.5821089 304.1674246 457.318454 1763.968911 874.2444838 339.9982639 496.8813587 68.45308755 271.9895141 886.7897521 416.2259884 132.308506 4863.418875 1204.238108 1417.559227 428.2760171 (S)-3-Mercaptohexyl pentanoate 3109.896911 2602.1247 3788.582729 3270.191724 5643.734279 4248.426942 2469.178382 878.1040599 1086.813237 129.390836 4.07813e-08 823.0450057 123.0957269 361.2793031 162.5033862 4.07813e-08 4.07813e-08 4.07813e-08 5384.659423 5808.141929 2836.239714 2627.144027 4954.269658 5119.559087 3533.793167 5630.755753 5784.85088 4.07813e-08 4.07813e-08 624.895383 4.07813e-08 4.07813e-08 312.2313916 4.07813e-08 194.3707338 4.07813e-08 980.025878 3096.500219 2297.301535 3813.208723 3885.698385 4358.784298 4843.163792 5173.241078 6792.655743 2133.211888 3096.018449 2573.829225 2006.787862 2100.433752 4.07813e-08 1948.730716 130.8802946 2999.34483 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside 4.07813e-08 146.2591917 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 211.8717199 1190.832355 4.07813e-08 502.3007655 4.07813e-08 96.83583258 8136.157673 2755.352968 4.07813e-08 153.3873476 446.4127323 259.6001047 4.07813e-08 4.07813e-08 340.7462883 320.5782396 4.07813e-08 4.07813e-08 4889.842754 4.07813e-08 2165.081883 4.07813e-08 729.8238387 1505.987502 4.07813e-08 8861.371834 4.07813e-08 4.07813e-08 4.07813e-08 358.1394715 476.4466805 4.07813e-08 1133.694807 418.5185904 4.07813e-08 1026.264227 4.07813e-08 4.07813e-08 143.0981637 153.4159706 155.2337941 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 Vomicine 4.07813e-08 1207.522797 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1222.71758 1537.509601 56503.09222 71516.07364 44014.16247 50450.1849 29534.64901 78730.54159 107910.6397 32650.83653 49064.68371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 43154.31346 80254.9244 28415.10861 96356.85288 22965.67074 49510.31911 91999.95181 47873.04874 77427.98168 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1453.121689 24595.69853 4.07813e-08 23848.15114 4.07813e-08 Androsterone sulfate 9257.407359 11293.09325 10312.63735 16072.16392 8843.411902 7581.076267 8568.399438 13148.74986 12448.10702 7033.84519 7793.704255 16825.85385 8823.534749 19153.46826 6720.928965 8264.220133 9074.12409 9103.461764 17847.16277 5842.791731 7210.308181 11419.93739 2341.911481 1971.923453 11545.42068 2566.498752 576.3680097 7590.375141 9080.834493 19262.12789 11019.69925 9967.706328 12952.7732 23222.30436 11092.47257 16850.17352 28950.55439 1246.134451 1892.540545 1346.625743 7074.25381 5102.877686 1799.777081 839.9806566 2016.72133 2005.0021 11714.08909 5878.862657 7571.204047 8604.782144 18790.20536 4882.929159 8451.843734 7047.757346 11-KETOROCKOGENIN ACETATE 4113.756796 3031.506661 4057.271384 3117.257865 2351.762402 3030.986398 4179.283863 2412.899608 3952.257444 7836.306107 12023.80455 7473.649128 4829.190294 6725.85164 11430.02733 5654.487167 12710.52737 3185.935431 5258.891138 4008.206847 3379.721587 5681.799219 522.1051861 1597.865028 3460.078046 14180.74521 4533.329154 1697.483712 5587.100431 4168.540772 8559.378514 6465.207801 9420.746108 11348.18313 5052.084614 3236.828879 7182.464196 2000.972318 4524.899368 4432.948692 4861.591039 1132.126963 1333.530969 11955.02833 8028.125684 1636.252552 2699.156913 2506.689377 1446.631376 1447.155417 3877.333742 1620.159716 6489.821964 1078.114497 (6E,8R,10Z)-8-hydroxy-3-oxohexadecadienoic acid 4858.605063 3765.105331 5424.489884 6522.00274 7734.689764 6232.253716 6270.94584 3481.883388 3150.846294 1275.554174 823.9150809 1038.672174 986.2973605 606.8304583 298.0957414 199.7706497 271.6587437 390.9852721 11987.00129 12092.19569 10941.07181 11950.4777 13040.9015 13976.14136 11627.7783 13805.16429 13316.18661 908.9858106 1747.459166 1519.354717 1219.989694 1656.191898 1457.553829 2184.120654 193.9965183 816.3101991 7093.712158 10350.07302 9599.68074 11052.71997 13118.14485 13531.91195 12760.61125 11403.78469 16609.03596 9776.643823 8140.546703 8925.599412 7497.880302 5794.31133 2365.951853 8019.646281 1437.818979 8687.498924 Palmitoleoyl 3-carbacyclic Phosphatidic Acid 29737.6568 33707.97025 29597.04392 31397.28565 26589.8472 29654.88463 30743.90916 30555.74004 25544.83426 23496.81644 21047.43844 20988.82886 24468.61513 29130.25473 19900.67432 29101.14814 22534.59895 27161.01171 24567.90075 26293.5205 20492.0515 25313.45358 21410.50388 17799.08572 20259.55165 23345.44285 22020.01179 18498.16877 25699.55011 23738.97643 29678.74476 24171.07814 21784.58623 20678.50609 25339.74914 29840.67468 25114.44131 24725.14336 23657.13066 23323.79927 23386.1677 26829.65786 21743.08033 26154.2812 22714.21159 32198.47992 27852.06566 23619.87354 21444.0459 23171.194 20554.83088 24968.23564 26747.87139 32904.60698 U 0521 1017.157525 504.5936687 361.3766744 990.8123075 1221.012056 473.3367685 619.7098252 656.1332421 989.7833926 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1426.824907 763.7043337 1438.270133 550.963392 552.1510448 539.8744345 555.0323825 1029.300237 240.9494931 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 490.8840226 653.4400474 708.6249558 401.9845251 812.0535322 401.4252841 314.8245997 1092.375276 398.8642041 292.1756508 161.7270651 435.8975134 694.2312476 287.3355418 4.07813e-08 518.6954939 4.07813e-08 430.1105544 tetranor-PGJM 3460.5747 2879.129578 2537.09288 1999.423605 3193.934691 5641.825435 5617.003463 2762.381047 2441.812407 86.56050444 4.07813e-08 4.07813e-08 85.76500749 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 180.6834178 5222.391621 6092.661298 5886.779755 5942.116172 9245.840618 7310.370985 8190.881986 4210.08558 5593.408675 4.07813e-08 86.16995427 195.4811955 4.07813e-08 304.156269 4.07813e-08 75.87269377 4.07813e-08 4.07813e-08 4278.903936 5524.640595 4833.384614 4452.141795 6571.341447 8396.431768 6581.649536 4669.68702 6209.277531 8603.577758 3904.783146 4334.628284 4138.18821 4539.668551 630.7081451 4279.43208 263.8292616 4086.438608 4'-Hydroxy-5,7-dimethoxy-8-methylflavan 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2813.473831 3179.664153 4.07813e-08 4.07813e-08 2268.040416 4436.804729 4972.104364 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14076.91761 2892.428387 3015.796571 335.1329029 4915.175838 8767.406928 1907.992403 11821.42027 1996.937423 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3,4-Dimethyl-5-pentyl-2-furanpentanoic acid 5784.616186 2924.385314 5430.472847 6372.637842 5938.77799 7608.517017 7314.430098 1807.481889 3415.457777 138.5316892 159.2837863 203.332958 260.5345858 240.8169443 102.9729038 86.86253284 4.07813e-08 8.981568455 11392.4358 11718.95824 8038.216816 10440.30371 12265.89638 12497.56923 10197.59909 7542.398825 8609.153861 83.54274478 390.3124697 4.07813e-08 200.4323687 622.112539 18.41267509 588.8925023 4.07813e-08 4.07813e-08 7141.085047 11446.83658 8845.787305 10243.06828 11668.83389 10909.30986 12501.28023 7319.234084 10952.86478 10320.92544 6464.741425 9194.195709 6450.475257 5691.236876 513.8258787 8688.182795 4.07813e-08 7144.605452 Annosquamosin B 8256.998047 1123.595511 3947.227375 10941.29691 5478.23646 7755.708236 1667.930659 2982.37282 4829.821716 252.1986337 944.4253217 552.1909221 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1829.588692 12998.35763 4569.299826 5901.891005 15876.26048 11872.23348 15322.63164 6706.608829 3910.682774 5469.760608 4.07813e-08 610.8146436 458.4138925 4.07813e-08 96.08525163 4.07813e-08 1087.141728 4.07813e-08 1878.067187 11288.24038 3524.091456 4886.702262 4913.059297 17328.45437 9498.377736 15898.73692 2918.987874 4861.402549 6092.105034 6131.46187 5547.395076 3505.8481 3458.536569 295.6257228 6518.134524 328.7344426 7723.217767 Isolubimin 3901.963825 1194.54077 2668.703172 2167.272978 2689.906688 5149.372343 3985.865416 2006.17926 1868.12283 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 98.60820878 4591.819222 4000.656429 1954.313647 3816.112794 3943.952256 5898.733757 3715.126405 1439.923141 1852.903753 4.07813e-08 4.07813e-08 4.07813e-08 91.56955465 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4017.132418 4692.790911 3846.329683 2497.223506 3065.634219 4063.148764 5447.964562 1676.889591 1407.535622 4242.317209 4276.067336 5641.009004 2510.428151 2209.080483 68.48424062 4376.174197 4.07813e-08 3960.111714 (1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol 3712.150102 2275.4304 2556.877892 2741.433154 2223.290795 3934.514 3244.65419 2466.095425 2370.991039 1185.251721 1417.072309 456.4205794 1121.60311 1096.440048 1070.669568 1752.785051 4.07813e-08 1164.031315 2000.426763 1466.61602 1813.758535 3612.278295 2695.970023 3808.536504 1532.507333 1463.569651 1425.950129 158.5162097 1480.085401 3319.129112 2473.558406 3098.140281 1741.797462 1381.03527 379.1354962 2304.261721 5732.88029 2407.080479 3325.451433 1795.550125 3512.10003 2059.259372 4272.702787 1870.920263 1541.391494 2438.336779 2527.658336 2609.875974 2332.670309 2190.945593 641.3956286 1717.961367 1077.299545 2262.855896 17a-Aza-D-homoandrost-5-en-3beta-ol 338.2300138 4.07813e-08 683.7922574 196.3084041 478.7738175 859.4661804 1038.4285 283.2622141 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 669.5948148 1806.53378 4.07813e-08 737.7237306 2474.66397 3959.702019 2556.51265 2284.573014 2440.716077 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 792.4812473 731.6196475 4.07813e-08 606.9434308 2006.401365 1337.030744 4479.048486 3024.061937 1557.71715 2695.271233 1774.028805 1019.857892 202.573155 4.07813e-08 4.07813e-08 337.5497627 4.07813e-08 2522.068038 22-deoxy-20,21-dihydroxyecdysone 5584.197419 8804.470879 9593.179796 8343.482857 6022.663854 8076.613961 12535.7203 9243.684573 6849.174808 789.5822919 1172.646117 9173.575368 999.045465 15828.40114 19404.92742 3991.845494 34769.39268 16283.4281 8485.809861 14883.26376 12532.54143 12394.84875 10467.49025 9997.974404 14213.4642 5497.874733 4126.769077 17236.04737 1315.860101 531.8734121 510.5641175 506.6957531 1303.086436 1015.432545 9486.278154 710.9825413 7433.464855 10111.40197 10899.02141 20955.95642 12126.61825 10987.18213 8707.503965 3085.92219 4471.267537 24608.16201 12525.11164 9769.036793 12210.18294 6965.365144 5256.616857 6327.339169 4.07813e-08 6411.344058 w Hydroxy testosterone 6723.234344 4654.500089 6713.884689 6361.233263 7018.710141 7526.574752 7775.580418 8170.201811 9518.772385 1079.645053 332.7723403 194.3217528 593.026038 144.0903499 4.07813e-08 4.07813e-08 4.07813e-08 1264.834938 10989.33384 12084.3004 10424.96406 12814.56245 11151.53097 14525.33218 11475.01442 8304.397498 8436.67797 4.07813e-08 771.9683176 4.07813e-08 155.8678032 334.8095902 89.0365579 1623.576866 108.7148791 130.9867464 8953.966348 9962.91473 10803.08201 7676.477681 11939.22757 11648.26919 10797.54099 7180.205418 8968.215946 9463.193843 7879.886482 11554.73075 6695.982729 6163.77389 1362.766804 9315.888288 239.9322913 5898.32494 Rhazidigenine Nb-oxide 568.3090146 1141.988891 535.4789414 301.7176808 559.5783161 422.1965086 402.741076 194.4667521 92.21806416 6093.046905 5757.742656 4847.073318 6464.062457 2597.546944 741.604598 4.07813e-08 4.07813e-08 28.78001073 711.708644 767.5630253 433.4550826 527.707906 836.540888 494.1770426 575.5502256 443.3863544 473.349463 258.7786389 3220.601558 4.07813e-08 169.8985784 412.4674706 2250.106425 1160.529049 29.52038866 29.64971651 273.8161074 448.4091869 316.6463516 563.2968 499.6871877 519.0805552 369.2274041 357.6140064 600.8233964 195.8014211 245.4524608 311.6082324 367.3489737 80.86510036 88.15009316 563.72064 2916.39649 233.8672332 7-methoxy-dodec-4-enoic acid 984.5754308 218.1496419 1429.034186 2126.084514 1563.692127 638.9815109 1458.055754 740.0902422 406.0090674 403.5210191 452.0112398 4.07813e-08 304.5425489 177.6151719 182.3472781 82.19238115 4.07813e-08 4.07813e-08 281.499393 1957.762876 325.8278951 961.004615 4668.278793 2025.905506 2497.40701 493.7087168 638.9127484 78.46035848 106.818209 76.7417634 4.07813e-08 84.3550685 290.4380249 4.07813e-08 71.62251029 4.07813e-08 4.07813e-08 1858.09718 466.2726814 957.0671339 1438.174745 3332.910659 1908.838345 385.1956012 645.2769016 532.372763 358.2032331 3677.614282 498.0377056 399.3933111 62.22088599 1818.142533 105.2636754 237.097398 Dicyclomine 8455.966951 7344.430682 9534.97022 17774.15177 13732.59085 15991.49289 15076.12694 8365.555293 6278.25101 1148.090024 1949.750496 3426.211445 893.2470429 4095.795987 877.2974505 2280.061299 1011.559928 889.3394504 6861.687784 9314.204061 6618.035068 11490.35871 17489.35996 16027.81732 16905.21934 7708.104041 14695.57154 144.8242948 490.3219215 6853.917976 759.6669728 1986.263324 2499.608625 506.3828415 292.7590533 5202.958715 4192.572386 8169.13449 5372.406642 12343.58645 15513.30919 12830.93697 16266.68878 6951.854947 16927.87961 9198.102556 5405.485252 8024.774477 6928.437745 5755.356025 1479.10534 8545.75807 2057.296757 8059.859353 Oxymetholone 17285.48566 11207.1777 12261.70928 9212.22424 8591.528878 16873.18684 17078.06801 11027.65812 12501.55019 5195.87174 3737.544238 374.4051241 4609.642581 161.4486563 1091.610904 4.07813e-08 515.550722 972.1435979 27712.20189 27401.64359 18720.92858 26320.46688 29261.00689 30600.28851 23843.84526 23408.70378 25385.95061 154.3522973 2956.561779 638.7714874 1268.981698 2980.251822 1108.430912 3074.345872 4.07813e-08 4.07813e-08 17218.69321 27389.29011 18711.91784 18500.82411 30777.29525 27133.4256 29689.06874 20076.00987 38693.50816 19933.95684 15464.94979 20240.59689 12963.20586 8482.819164 3588.337311 19533.18608 953.9215702 14865.6365 TMC-1C 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13880.81323 71099.24798 57863.81461 8754.452819 100574.5579 66415.93328 210297.983 196861.1382 2342.632642 4.07813e-08 598.3390816 4.07813e-08 623.1775705 4.07813e-08 4.07813e-08 4.07813e-08 272.6445226 4.07813e-08 258936.8619 14133.36281 51716.16243 28827.44808 43488.7222 70259.25649 40063.77778 311299.5113 49972.6816 331.9799095 258.4446675 4.07813e-08 4.07813e-08 257.3919742 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7265.983073 4.07813e-08 22236.43575 729.8546236 Dihomo-beta-muricholic acid 8491.100594 12979.94364 17151.433 15043.22835 17049.04959 12486.94327 17241.00201 24914.77868 16021.04418 5455.00395 3983.466446 34976.27582 5563.41263 60776.55429 79722.06239 16387.02731 136180.5806 99242.91763 14257.05868 13591.15084 17434.7485 24759.17649 16455.03413 15393.67769 15640.44237 12831.46105 6809.947262 44902.50347 7406.954601 1689.821626 9479.84672 2881.139932 12645.53687 10154.16382 40942.49667 4906.997503 17793.35601 9708.274163 18153.80447 28301.18619 29969.43855 19188.16981 13816.79796 11162.16009 9893.184791 32129.09696 28636.71655 29564.25365 35492.94033 13846.35741 11717.10693 21171.64163 1601.980399 10137.53388 Tumonoic Acid F 1383.20863 2254.89665 204.13167 2546.604251 831.8935122 619.4938387 3808.383436 1525.711822 704.2907273 1743.914093 1152.031584 1816.103657 1823.890149 2857.860404 735.5933185 489.9020421 1907.724215 1472.894697 2110.804593 2992.532338 1684.796005 1759.28442 4.07813e-08 4.07813e-08 3533.920764 151.4374549 4.07813e-08 690.4726102 611.1707006 2259.553037 790.4223736 1871.412424 1051.33562 754.6532334 648.2354707 1393.556417 2760.729645 1007.32031 3168.590621 4.07813e-08 2221.198614 651.8257677 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1162.423312 1217.317166 651.8758383 1040.636433 1554.173236 602.3145198 284.7637364 1363.70722 Girgensonine 910.3531732 3036.25087 3634.597776 2970.1886 1413.52284 4636.108421 5450.766731 3744.062003 1299.349856 126.4080679 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 132.7504291 4.07813e-08 4.07813e-08 198.666772 903.9895905 1722.415034 1640.996965 2773.398987 1831.731658 2456.988665 3592.754268 351.4157138 436.0775016 4.07813e-08 157.1286716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1851.958934 1174.744819 1275.44005 1256.567346 2237.88831 1324.427159 1157.278652 172.5141884 4.07813e-08 3049.725958 2723.495494 1935.04912 1578.893502 177.2671624 1238.922633 1349.024825 4.07813e-08 4556.820096 Bornyl butyrate 2421.446093 694.6536499 1120.97304 1545.264384 2917.763844 2985.570277 3032.81858 2244.602949 1912.396394 150.0192109 530.5938043 781.0289444 210.9927153 1419.540925 336.330286 873.2422461 482.3686839 804.5195856 1929.748259 2961.559891 1608.644411 3191.982162 2364.260841 3167.200624 1651.11944 1525.613353 2272.813643 328.8761788 787.086095 552.7686235 728.397199 1288.43237 561.5623759 805.4469284 131.5868808 2416.142687 2243.086086 2556.000195 2340.063518 2331.556039 2864.580045 2588.448521 3313.681796 1321.679735 1605.80013 2961.214372 1515.079419 2568.32197 3214.831509 937.7313757 532.8546338 929.5402165 426.517314 2550.782977 (1S,2S,4R,8R)-p-Menthane-1,2,9-triol 1208.365053 1030.003479 1323.370164 1360.874876 1255.548293 1636.546624 1291.667812 1013.946549 731.1098809 525.6974126 697.0028014 254.1053838 665.4558138 262.0258345 4.07813e-08 555.2480864 87.12486953 377.5186036 1059.725634 1312.133257 942.5094216 1142.619942 1366.538563 1482.055561 1134.071314 1660.90676 1141.918243 277.6009524 556.9058056 546.8438769 521.8722869 673.0183965 617.2989708 375.14819 765.8242195 623.871727 1220.622029 1279.155262 878.2297746 1249.995868 1119.56887 879.8202896 1302.483035 1922.612737 1612.647624 1218.195989 798.64058 894.2180047 590.0618784 620.4993272 154.4846321 747.3184589 591.1234465 938.7484728 PIP(16:0/20:3(5Z,8Z,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 92701.00217 64129.48421 47019.80483 61620.90058 41614.01594 46842.72936 15137.53124 85207.70576 92709.26086 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 25506.41168 44585.69322 40008.93783 43190.02471 60182.36559 39764.96209 31772.49034 23615.01933 21099.68779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44201.98948 4.07813e-08 89537.28198 4.07813e-08 Oxomemazine 574.0621033 2967.55639 1629.782392 1122.031303 1728.451842 2708.007042 3752.626039 2967.189908 1957.420518 136955.5518 102645.4245 96361.11059 128164.7707 82468.82673 126677.8054 59284.20432 64304.33624 78458.9505 184.6406213 440.312531 1788.351574 181.7642283 861.1752753 4.07813e-08 985.2116965 1523.291402 4.07813e-08 126295.0353 124390.8085 84819.9328 128272.2007 152086.309 104331.6064 152394.071 64862.17071 98115.26344 1032.125719 4.07813e-08 748.8369596 177.3246476 864.1008046 1011.714891 692.7660841 354.6122371 657.2700568 576.5180385 4.07813e-08 3055.121472 6200.83124 5661.774398 126400.0204 4005.548811 131103.2912 12335.55065 Nocardicin D 1322162.048 695205.0922 948319.5342 663339.7705 146999.6542 865702.7225 542012.9791 1027280.067 441819.8483 120175.1316 61636.35502 221654.9192 77274.80819 208602.6006 653286.8391 160575.41 380685.2118 187583.1557 68207.80425 50932.69439 56362.01323 81406.4038 16676.88738 26127.19249 112979.8953 20807.27694 42755.96219 245989.6124 308877.1529 110147.6683 494393.9351 134278.5658 77939.30035 747163.6041 444035.0291 308387.3485 1245235.362 64585.7684 75995.96867 46912.01039 43155.78707 73675.74284 21352.37438 36008.4841 13315.61798 254184.2343 345606.2304 699542.6521 817518.0674 1325895.986 216077.3474 399132.0452 189748.8192 632229.3565 (2Z)-2-[(sulfooxy)methyl]but-2-enoic acid 7986.781826 6438.660869 7395.842282 8239.836487 7593.828142 4661.170144 6488.846353 6939.957043 5622.365351 4531.600002 3955.286616 4394.336493 5000.995951 3038.88783 2913.08525 3756.870515 2558.812709 3720.930368 8607.467202 6904.860295 8727.165245 8656.850319 8762.962023 7311.632727 8482.504963 6392.094971 7698.002847 3896.498755 3503.278659 3728.477036 2634.958299 2978.435122 5069.463677 3946.779528 3515.430658 4318.339743 9407.600576 7172.029892 6513.048866 8457.410751 8334.64435 9083.307339 7633.689283 6870.959076 10375.685 4759.498794 3938.799396 6211.547773 7032.908883 7417.574409 4193.628468 7614.111477 2965.769539 7489.278194 2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid 10.12417394 7.277774149 4.07813e-08 36.57362241 11.62787687 19.35171995 4.07813e-08 4.07813e-08 4.07813e-08 3143.114383 2807.568787 4225.070756 4189.974143 2842.98567 1869.061334 2468.272091 4496.743715 1933.232719 4.07813e-08 11.8245099 74.5040629 9.131686071 4.07813e-08 10.35490007 4.07813e-08 61.78043491 4.07813e-08 3725.961299 5249.941802 3969.365202 3584.851864 2846.919081 1654.328024 6559.458433 3175.289247 3144.072807 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9.843798085 9.061542083 121.6034644 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7.853540683 3569.199752 12.48390789 1173.466095 243.6909249 1,2-Epoxy-3,4-butanediol 4-methanesulfonate 3417.733525 3333.157535 3342.359057 2594.752395 949.580861 1720.667446 3308.534638 3303.855961 3423.867018 3120.736101 2629.407146 2194.612585 3320.368417 1141.112756 2466.163635 1183.282083 1002.370501 4371.608175 5247.341517 5988.185952 4170.74756 3699.261266 3300.001942 4223.68183 4426.454848 5981.494385 4397.287132 5347.498515 3733.417629 1880.885626 2995.849598 3679.354622 3686.439114 4646.160815 1842.497622 2032.017755 5519.465872 3372.067724 2553.014068 3526.361937 4396.068371 2527.977738 3866.532714 5703.924662 4819.628641 3770.171413 3457.48372 3603.290402 2179.799158 5063.816052 3661.772545 4298.50207 2842.320238 2708.20798 trans-S-(1-Propenyl)-L-cysteine 6576.875748 7553.503736 8580.692922 8257.370577 9333.896908 4062.121201 5236.159809 4598.011085 3611.421306 12228.84996 13247.94816 14807.36318 12590.31615 8897.793212 12945.33933 16622.18769 13086.06745 12750.2429 12507.13359 8796.360421 11962.52859 9259.350688 10995.32778 8639.1721 10717.43216 10600.20588 10437.70756 27712.83683 15792.27025 15925.10804 22617.56242 20462.49811 19074.59683 19030.17605 20981.25255 12724.93123 7339.02335 5791.124199 6643.466955 6511.729579 8389.637743 13297.90037 7238.881552 10392.56267 7688.282034 7137.049558 6664.932969 6438.281409 13705.24947 12399.18935 26631.39543 12253.40848 18898.43018 6617.468225 2-hydroxy-3-[4-(sulfooxy)phenyl]propanoic acid 2730.370418 3522.956271 3288.744731 6507.384438 6795.17132 1337.875472 3160.933249 2977.045658 1482.410287 161.9765013 4.07813e-08 4.07813e-08 316.062527 4.07813e-08 110.3284469 4.07813e-08 128.1798529 187.3067909 935.3153499 1673.20823 4603.852168 2458.908544 4014.883282 613.1359417 2047.013442 975.9266933 1370.431649 1504.210844 165.0014148 4.07813e-08 157.664851 4.07813e-08 390.2853315 287.6222552 628.224189 101.0119136 6356.864641 1130.936524 1326.34853 2949.094417 2185.710286 3714.054142 1186.511595 975.7316091 4456.176248 1335.107335 412.3677399 719.3175925 3116.161845 2814.264529 4.07813e-08 3007.020551 4.07813e-08 1156.672254 15-dimethylarsinoyl pentadecanoic acid 492.4972081 1507.731212 535.5735811 776.4720507 491.474426 819.1978608 1376.016635 1393.946301 1278.745849 2044.17649 1305.091517 1090.754298 2071.749975 96.53111727 3103.367545 687.8115027 1124.320671 1521.876907 320.1403197 92.00721082 255.3383446 270.6334225 402.7069204 211.8664723 1.472161029 128.0062036 258.0413484 4449.879826 1586.258979 226.1120555 2208.623699 4.07813e-08 747.5405185 2888.972077 2639.028963 262.7735857 1038.392663 309.6542398 588.215936 5.068734826 61.983704 167.7711679 123.8196073 88.55372279 103.6402193 382.261456 425.7859918 356.1022775 656.3580622 2097.627954 587.7602246 84.11892557 1387.311773 231.8730517 Diaminomethylpteroic acid (DAMPA) 4.07813e-08 1888.98367 4.07813e-08 1084.678034 4.07813e-08 107.8370765 123.2702108 62.17114732 227.5919409 8023.408405 5380.584013 7864.684586 6798.6469290000005 6091.870207 7081.167031 3945.494974 3655.329589 8312.201952 709.1830044 384.5040674 592.7204937 258.3529275 769.6919414 1677.834061 424.6236446 114.6246229 99.17048433 12013.65232 11934.12922 5477.200652 7859.080917 10615.50472 7628.598187 14179.57892 5017.572233 5950.021499 4.07813e-08 4.07813e-08 4.07813e-08 235.587038 1084.264253 823.5481963 3770.584378 172.626205 148.7820347 394.1564222 164.8704235 4.07813e-08 907.429331 250.730928 13528.87573 4.07813e-08 11076.3782 203.0621102 Epinephrine sulfate 1094.386107 1215.296501 1092.316008 890.1997837 1225.945613 1159.488872 876.7792039 1480.952407 1933.477308 502.1138093 42.34158881 159.2687097 627.170984 128.9510966 119.9230725 151.9860543 63.93180379 1182.441478 2036.273264 943.7392726 1110.805237 1566.508821 1605.875782 1736.062347 1920.72058 748.3682127 874.207564 165.0909041 319.8468135 40.27434485 142.0814397 4.07813e-08 86.19978913 937.5272017 203.7470966 485.6030624 1516.210448 1325.09398 1707.215111 1978.017906 1523.730299 1969.865532 1306.253539 1269.903043 273.0601235 606.8692192 772.6613505 887.5956395 1813.694083 1183.898616 505.257253 1210.660758 89.63774861 763.2353182 7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone 256.2523198 94.69254756 315.1630587 1418.078587 972.6371991 330.1806517 387.531629 505.0608974 373.1586721 52.62583803 26.74196001 218.9668299 161.0066942 198.4034609 130.3076806 82.2112192 66.18554797 209.9266933 2083.013655 3377.577824 1769.838292 2317.509877 3395.230664 3187.12966 2135.989974 2398.636145 2570.689132 110.5485401 35.43012615 549.1098553 0.661338179 4.07813e-08 25.04430017 70.1601985 92.20489052 361.4104546 1124.257456 2538.28488 1168.533827 2395.861925 2717.702664 2964.787118 2472.131778 1847.075411 3466.452477 1420.685358 1034.860509 1473.291167 1095.47126 1005.101814 6.183447914 1079.188641 47.06649328 1958.794021 Meta-Tyrosine 285.968014 669.4219497 286.730307 210.7523219 293.0185218 79.461333 341.1845172 440.3864536 432.0407605 630.1149302 390.3543231 373.657853 577.9266647 366.783162 470.3036799 232.7081904 580.1698589 1051.856779 130.7834169 243.3510535 930.3334055 202.5160106 235.9888571 90.56341768 977.6675097 169.2173964 251.4578842 857.626404 575.4383239 852.445349 926.922509 443.8050392 759.9515109 779.274396 447.6161815 515.5306383 1099.476104 177.3596396 182.1224537 217.6414464 253.9346674 235.6236259 4.07813e-08 429.8292577 75.45476073 74.71517503 207.138652 338.3393831 365.4579063 754.2456033 612.877155 295.7668072 586.0568577 213.5167171 (3beta,5alpha,9alpha,14alpha,22E,24R)-3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one 2931.119666 1896.723692 3256.384039 1744.987697 2808.350922 3702.370061 2644.185994 4543.148052 2899.129325 1931.83382 3098.223285 9975.503309 2124.604869 24592.94136 11174.14007 9842.364349 44304.22398 5509.354748 2707.679373 1717.674763 2661.185796 1220.870596 4.07813e-08 4.07813e-08 793.116975 4313.654879 4.07813e-08 5246.1417 1408.277988 4.07813e-08 292.4548584 389.6297721 681.1707854 411.4513617 6989.680949 4.07813e-08 3315.428373 501.2771625 1092.656071 2595.870773 1865.474322 1415.288813 237.3689745 2757.998285 4.07813e-08 814.7590669 7546.697295 1398.562954 3472.923994 2268.86776 2537.19317 2274.056725 4.07813e-08 301.7384157 b-D-Glucopyranuronic acid 4.07813e-08 4.07813e-08 475.0821992 733.4649083 1745.283868 3249.220276 2475.264135 2152.90538 1361.479213 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2954.462724 1656.143217 2009.896399 1875.520983 1406.744036 1226.922335 1089.521794 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1227.08732 4.07813e-08 1996.754162 1358.572297 2196.165065 285.6363328 4.07813e-08 291.0288457 4.07813e-08 11217.53532 3777.758711 3373.995332 1799.627238 4.07813e-08 4.07813e-08 1771.615134 4.07813e-08 765.4314633 O-Desmethylvenlafaxine glucuronide 10712.08355 5935.39366 9448.475157 6353.116046 6034.080012 11999.95842 7993.708285 15762.53817 20279.98939 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33552.64737 27538.57471 15501.98517 10738.96707 22353.62793 37088.98065 13449.52974 23314.86628 20998.64899 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4690.596853 15005.81646 13068.99798 16746.64164 16471.72897 14255.63264 36667.08672 21281.51906 25606.8587 23529.8579 12971.01585 14732.03842 6333.731744 2829.470071 4.07813e-08 13644.31619 4.07813e-08 16955.27524 Uridine diphosphate glucose 107295.6399 113873.0015 116842.9962 112306.6101 113676.644 109988.1667 111313.2475 109077.1872 115900.0667 81149.47869 75748.35778 88258.37108 81158.97117 100531.0784 82778.0781 107146.3169 87023.89651 94407.42853 90423.19252 88486.13614 85710.89589 93710.7943 92299.94311 94797.61604 92207.49475 100285.7947 90563.66088 74940.04056 85755.30624 85163.54573 112345.5509 75856.72171 83554.27875 82246.08489 96314.89003 111580.8142 94113.13885 94968.31257 87083.0615 81262.21543 84632.42237 87016.09534 91242.44619 99423.56842 101615.5524 112838.2596 97699.17277 96737.22646 94321.37582 93851.13049 73018.58323 89838.06473 91528.35478 113064.5187 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid 339195.1764 348341.4778 351100.4818 348545.4136 357286.0847 353802.8882 348813.9491 349080.3787 351395.5664 263028.4293 239761.5179 262010.3203 264091.7114 315574.1518 251408.4934 320901.4691 263446.6874 316216.9235 266698.6376 270440.3873 259112.4853 293468.1079 288682.0978 284102.7411 274707.8547 305751.3639 294362.0588 239405.7318 284468.3926 260819.3251 332023.9899 249194.1245 250083.2046 260944.9508 292195.9976 335618.5079 295233.9688 270884.7238 276025.9086 253763.1438 256346.5749 269771.6964 287575.7794 309466.6053 305332.1908 335852.6154 320602.1732 297159.6768 294213.9425 279036.1616 223915.8195 292874.8358 289977.5513 347363.5568 1-Methyl-2-n-hexylbenzene 796.3690541 869.5498653 519.8441004 959.9175207 1128.475429 864.2105551 672.8389011 862.9641851 732.5194286 855.6632712 560.6091095 744.6864984 647.9941118 619.1360724 440.5728615 702.7348544 793.1127456 673.5868196 654.5804626 781.7962856 619.744488 765.3107148 568.4258574 459.1842737 925.6897517 637.4925681 910.5668257 669.4885439 929.9774386 617.206967 902.6641106 727.141449 332.3690923 536.6376967 746.0180717 670.0230131 1056.413554 414.7981685 712.5972678 613.8584392 451.3049053 619.67194 567.5842072 668.8897969 301.788234 554.1033106 748.6581631 500.3446467 863.8735501 797.4994478 520.1008689 595.5518389 491.0951679 783.4737893 (3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15629.7723 15475.81272 10766.43811 7558.261032 20002.9656 5396.453621 6607.219033 11024.38591 14352.94573 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 209.1387873 2411.237363 9798.982267 5678.464704 4218.771431 1787.179069 1105.15175 1648.580286 10748.98655 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1319.816014 4.07813e-08 13181.81242 4.07813e-08 3',5'-Cyclic Inosine monophosphate (cIMP) 2848.030895 2046.510876 1327.426949 1665.453264 710.9430996 1204.943621 2175.126482 3693.507993 4544.115247 1669.679465 2338.562899 2765.186206 1658.760418 1808.161569 2367.830765 1965.452652 2496.289322 3701.861097 382.9650743 561.8734647 1468.322781 231.4571668 541.2649865 574.201507 1110.968562 576.0701825 639.694795 4091.623713 2445.829113 1646.196505 3766.431407 1855.320501 2301.507339 1975.44884 2799.174367 2304.788715 1794.57355 373.9408251 626.6719252 823.7511129 502.9715481 445.6201355 896.3518862 515.5766428 127.4672545 850.6121132 1893.147279 1637.456267 1651.136044 1958.970629 1421.603698 2018.121014 3622.728929 1337.273696 Cysteinyl-Hydroxyproline 10307.51219 7798.186104 6097.52036 3620.687996 3845.86921 5934.990633 4424.058732 11613.0073 10784.4955 6651.12863 4300.525278 2192.632728 6948.068246 1267.520364 1898.718221 618.1651386999999 2380.495652 5680.410048 5972.474394 6100.487583 4779.145335 4472.65896 5672.427353 5028.626467 4656.114276 6371.19931 5784.830188 1774.432592 1729.611172 1129.452839 1081.366009 1890.89952 1616.380796 2282.711042 772.3375303 1221.658658 3757.427287 4072.32844 3721.92217 5018.878297 4992.707146 5682.074494 5190.155169 5334.152042 7855.866272 3381.954476 3377.10135 3563.6416 3377.311854 3735.616502 2077.344934 3329.646195 1500.418682 3637.979003 2,4-Dihydroxyacetophenone 5-sulfate 427.7573066 244.6277539 661.2716845 437.2118947 683.5065771 761.5075949 639.2902937 574.6432902 306.1782275 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1143.969393 1049.385262 1085.18355 711.0640653 854.810443 1010.302168 1004.449872 793.2890455 1016.721972 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 576.6983007 375.369512 880.1295898 1176.414054 903.1466403 942.8546388 742.1745629 762.4181065 974.8161428 695.9865275 456.8671588 817.8846997 694.5608754 408.2873377 4.07813e-08 649.038705 4.07813e-08 572.4419617 Dihydrochelirubine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3786.118228 1924.062759 3145.664406 4508.56495 4977.851467 4288.146072 3325.804893 20024.48269 9571.88148 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5643.659398 160.0997026 5033.154936 2660.117436 6205.271222 577.8678452 2642.575234 2895.078352 3952.279559 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3961.05364 4.07813e-08 2126.800517 4.07813e-08 Ethionine 14631.4943 10785.05424 9575.122533 6297.896524 1016.636025 13250.48299 11003.30416 7656.209247 6299.470999 1574.295064 760.760164 143.073667 2370.880513 30.36301576 76.87085212 4.07813e-08 268.0935696 4.07813e-08 39.73225887 31.81726313 331.5964103 114.7324685 63.32402895 12.11969839 796.3442365 78.85183812 681.5594261 60.54261142 43.19374523 385.7884876 4.07813e-08 105.5729854 58.60994662 540.7966186 4.07813e-08 119.3069569 7850.290086 4.07813e-08 380.428441 244.3889449 54.60037386 1835.098883 187.6613709 4.07813e-08 4.07813e-08 1113.699453 1245.307531 9455.437411 19076.45431 22227.63837 256.8514973 7724.488959 544.7505166 3053.726324 Fluazifop butyl 4.07813e-08 466.6974085 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10432.91418 7024.20045 12896.35442 10254.94643 11870.83928 19953.732 8502.770942 2075.852399 8152.465668 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20412.03822 11446.45998 8982.425965 11232.48602 22559.91553 15756.68881 15999.91968 7834.171681 9146.443093 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 79.29896232 1171.129005 14051.27145 4.07813e-08 13735.77107 126.5749167 Diflunisal 4.07813e-08 225.742623 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33.51247923 4.07813e-08 1828.900306 1001.542355 4076.753378 2161.828579 3068.838343 1876.885721 949.6654839 4270.724756 1634.237135 4.07813e-08 38.06626435 4.07813e-08 4.07813e-08 1.590877512 1.640836898 153.3917982 3234.107834 4.07813e-08 2121.860333 2556.685478 2216.081544 1986.455821 3881.875668 1309.468054 584.7778254 3359.119993 3566.289305 741.419613 4.07813e-08 4.07813e-08 40.84044042 4.07813e-08 50.03055891 37.90668847 4314.695489 4.07813e-08 83.62035465 4.07813e-08 4.07813e-08 194.1161171 518.341698 2818.366313 38.24782501 632.2432459 147.8410919 (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside 1872.255888 2890.226492 997.2506516 1738.706184 1286.667744 1266.156602 2642.624587 3804.384529 4434.735183 2.501112206 4.07813e-08 4.07813e-08 5.564275341 4.07813e-08 12.42143543 4.07813e-08 12.58972718 0.320012561 289.1257998 339.2566028 790.8504834 194.8476855 406.1849619 111.3507818 315.4023578 4.07813e-08 384.4806864 5.187230611 2.408869095 57.19126433 1.182635296 98.78986102 1.776197949 2.322842323 367.5960379 0.11540082 666.6232199 832.5191357 1373.845276 912.8958466 219.3157617 688.5873713 134.174757 63.85309401 353.5786955 196.024306 1462.786893 774.4329556 2071.239055 2755.278102 9.925235958 948.8695276 4.07813e-08 491.7514272 Tricyclazole 80.25116559 100.056412 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 97.94827261 3842.887038 2908.301625 1894.080733 3269.321743 2079.112386 2383.361386 2024.654028 2921.172873 2923.907353 4.07813e-08 50.52840872 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 61.91936825 4.07813e-08 4.07813e-08 2452.844345 2666.48121 2963.572887 2347.269568 3205.160748 1983.933733 2003.161342 1288.921216 3006.92856 4.07813e-08 73.90099145 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 142.8178155 4.081590441 4.07813e-08 4.07813e-08 4.07813e-08 118.0834374 2900.12468 4.07813e-08 3540.658128 4.07813e-08 Hawkinsin 306.5486176 1007.374843 138.5027039 285.5825643 309.143276 4.07813e-08 232.6266722 45.9061113 129.5506162 297.5136297 355.6960626 486.0383915 473.842837 104.3943396 136.2139285 4.07813e-08 384.0359492 4.07813e-08 1040.725731 959.2187052 724.348835 680.7665264 778.7168602 773.3869808 740.6454248 607.6806807 685.4884141 336.0164905 298.1379262 535.1691195 82.41809209 99.13569007 182.1236309 883.1770003 292.9384314 349.2356651 810.9420683 677.7416323 374.1913458 757.5085367 553.3685215 1128.879472 703.3389849 758.3951518 1053.324876 555.780613 584.0747659 327.7471049 722.8208851 508.8324641 784.037871 451.2371818 280.6524112 403.7065424 PC(8:0/0:0)[U] 4558.983018 5553.970023 4315.85531 7287.92791 2942.26471 4901.744581 5619.098312 10231.19744 6676.328289 4.07813e-08 62.58939393 58.77903783 4.07813e-08 4.07813e-08 101.0766066 66.60505401 4.07813e-08 314.3889907 446.8613099 422.1766929 2645.580123 885.6244882 3277.759525 1910.990268 1406.602664 394.2073391 2100.375522 10.11163054 104.0082165 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 106.994046 47.28767382 266.7294107 1272.44485 1210.013702 2909.161841 3904.49418 1049.691286 1419.466179 1480.320634 345.6092036 639.8171667 564.1427127 1945.045593 1574.179749 3540.449506 8448.918096 16.64895111 2122.191411 12.58312967 751.3954385 Desmethylflumazenil (Ro 15-5528) 4.07813e-08 490.0294101 4.07813e-08 182.7971598 4.07813e-08 1.18197075 4.07813e-08 142.5176667 241.9144663 4.07813e-08 1106.607575 785.0867662 9.022812623 34.09381033 250.5559155 4.07813e-08 341.1121119 4.07813e-08 0.570958355 2.075092163 0.088760263 81.24451898 4.754817004 1.011819051 0.208550552 4.07813e-08 1.446102586 851.920738 1291.769088 6605.40846 1003.467341 15351.46905 476.5604551 4245.563809 1013.185818 404.2184076 50.31058536 4.333547278 35.35889785 0.677950452 2.219524651 4.07813e-08 1.875356172 46.39622807 1.121775055 1.15953542 186.8767351 679.6807521 1600.582788 640.6346758 4051.545047 266.7408579 4365.516797 0.787475173 Phenylalanyl-Histidine 6538.739057 6529.107439 5958.506136 4999.150686 7991.837929 5341.317011 7190.575407 6157.417996 6191.819106 2919.641584 2844.795046 2212.314842 3580.075996 1684.276634 2347.12112 576.0895845 1346.284506 3060.101638 13206.51566 12960.13492 14227.74814 11069.65718 15694.68332 11522.10278 12072.65756 13081.90402 14406.04952 1963.852818 2126.457034 2100.04238 1593.981812 2547.749326 2506.522174 2958.337741 623.2265103 3194.327147 7078.603064 8885.228333 11168.48617 12954.9522 12183.4846 14614.29899 11454.2588 12357.20875 14678.27327 16855.80234 10867.92896 11656.24196 10304.97954 10038.81989 3095.800248 10815.68748 2213.753138 9913.58528 Dibutyl disulfide 4.07813e-08 1484.315139 4.07813e-08 4.07813e-08 71.08614642 4.07813e-08 290.7161349 733.5701188 480.1790033 7063.490114 4222.081673 3377.810319 7541.108267 2592.868545 4548.669933 2354.438954 3020.610077 6221.839147 143.9538235 107.9165267 348.9298698 4.07813e-08 0.009835112 82.3070689 117.2356717 207.5294138 22.78122167 4585.06561 4631.973848 2930.244334 4043.008921 4672.798185 2896.796679 5916.889851 1972.209617 2969.352875 497.923117 45.68974629 234.9021585 1.812054432 118.3000692 4.07813e-08 71.48238319 112.8725817 4.07813e-08 2.579296601 104.3351094 4.07813e-08 774.2884943 1646.3819 4085.583274 323.3247976 3618.10003 231.8973418 2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone 539.7634609 690.0814747 1230.047541 1830.384397 1960.773178 1240.709135 1104.168341 174.3917416 313.63004 30.00920301 144.3231521 469.3948879 90.65352887 494.2573278 170.9751847 331.9182663 4.07813e-08 4.07813e-08 1666.01598 1578.564399 1476.142181 1732.375922 2037.747759 1896.968422 1581.610895 1789.367309 1889.65894 269.5506273 218.7017226 413.2108435 169.4015386 415.8551874 690.0964251 338.5552449 275.0120263 391.0263575 1254.090116 1576.666074 1147.647974 1494.240597 1650.189666 2099.316926 1782.167816 1569.024238 2586.73236 1586.294137 1156.292408 1333.780651 866.0777295 908.8735992 349.6370428 1012.718982 175.9604339 1587.246905 8-Oxodiacetoxyscirpenol 1423.496254 500.4221291 1294.957748 494.3796731 762.1646966 388.9333762 544.5249727 795.3727764 793.6173016 6056.616428 4920.02117 6444.810529 6960.139253 4762.374179 6148.688591 3327.183646 9573.922115 4787.194374 1656.118861 1608.994222 875.3311128 354.8643501 819.4307885 1897.024267 1146.66605 291.9365739 1040.340766 5021.01146 5069.381136 6579.026122 3641.166246 5969.158156 5469.909624 6356.194833 4600.924837 5736.646647 390.80476 605.1353334 597.4461209 1334.955131 688.3783807 510.7224186 2037.178569 435.3872408 4.07813e-08 2248.580114 1072.297904 1041.160542 892.4443454 757.5664182 6121.19574 1312.85469 5763.17226 875.1647949 Coriose 2739.471815 1346.939657 1398.018891 1600.977006 1540.195612 1776.834013 1864.832226 2453.245823 1178.224268 573.7883198 469.5775874 38.89848246 1428.518149 4.07813e-08 731.6255375 16.4861524 508.5779866 354.3439124 6418.749522 6838.823847 6115.289547 4935.361481 6354.663379 4999.455266 4810.370173 2799.937474 3444.136487 270.3947907 330.4120011 40.96637448 129.2604585 935.6237093 2.094792051 266.3598451 4.07813e-08 343.3270931 3060.425492 5088.418489 3049.725753 4716.591461 6453.64308 5822.596185 3701.235414 2914.594753 9420.722646 3427.882199 3342.105799 3031.499373 1922.208593 1510.995884 315.6211431 2926.518218 4.07813e-08 3255.628783 Karbutilate 1416.776732 944.4799862 715.8510881 919.6793933 789.5306959 868.5477982 1061.491109 1015.224238 796.1153779 1490.502822 7057.478495 332.4982741 991.5248675 672.9776857 1482.460249 3852.359404 2447.795058 724.0831064 1480.413117 1350.921534 992.9515492 1119.111288 1655.468065 2504.612815 1916.811707 3353.372592 2267.316837 983.3339558 1098.098018 1320.71339 581.9047149 1243.172221 1068.550126 1077.613944 776.1566848 990.2881516 2445.849806 1119.556089 1149.557115 1445.276125 1290.246036 1728.606716 1782.043372 3270.555397 1805.981239 855.4669517 1462.437534 1216.894403 1056.193522 980.9268492 1254.893152 1164.785045 1714.791665 1738.469667 PS(O-16:0/12:0) 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 2538.570026 2967.377487 1667.633875 2322.529608 4445.386012 5784.57221 4667.511566 18761.31434 2284.932673 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9174.309298 3638.151468 1827.314718 6543.694652 4081.728447 3058.425347 1563.301666 12238.08458 10386.14657 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3041.214416 4.07813e-08 1309.995536 4.07813e-08 Mecarbinzid 13642.29178 9909.336908 14465.64971 21331.1839 22198.1933 13761.74187 18553.63877 10338.90559 11707.06389 4415.919682 2825.407518 5587.531254 5173.748509 6470.852336 3196.916956 2873.726262 2808.814292 8507.293581 19528.73755 24988.31054 16592.10451 16862.38286 21270.1021 19606.75666 18341.55721 10033.36083 10381.96947 3602.8726 4143.917847 3826.346192 3283.862889 3017.061701 1822.717022 4461.236858 1820.662293 7025.698014 10743.50656 18732.40817 11923.22971 14602.13314 19341.35745 21461.14204 15835.60652 7501.528732 22932.57176 17061.9375 15860.91108 17295.86884 11812.40911 9640.980708 5168.71741 14103.54366 1028.241544 13770.41669 Granisetron metabolite 3 1195.060467 1763.398521 1901.857965 2302.413406 1774.461137 2106.7914 2146.415256 3162.506402 2300.646226 91.84721766 4.07813e-08 4.07813e-08 4.07813e-08 170.2792964 41.78687063 4.07813e-08 4.07813e-08 158.7982443 2587.609301 2507.85897 2910.996525 1993.958182 2896.475658 2953.525845 2697.243019 2878.83194 3124.898734 4.07813e-08 4.07813e-08 159.6472557 4.07813e-08 89.47437902 94.6140495 4.07813e-08 4.07813e-08 199.3852901 1947.134496 2125.575208 2403.350491 2201.121564 2498.194979 3236.682098 2285.433704 2400.406302 3452.001316 2697.195615 2539.281847 1822.737538 2138.042569 2285.762821 79.0044317 2129.093873 4.07813e-08 2067.432676 (3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside 5990.052551 4221.945003 5205.083006 5154.458182 6871.057462 4742.642825 8022.469081 7674.890966 6997.433424 2449.280934 1527.436217 1743.217868 2735.987288 887.2029005 1319.82047 866.1939932 486.0237414 2015.343825 27016.59027 24283.45785 19954.6837 21356.81209 27734.75326 25841.65202 21416.81391 24589.43224 28581.56618 990.1430336 1456.423542 844.7664413 919.5665234 1710.456173 772.8726978 1657.359074 308.2731565 854.0017793 21989.02127 18113.78503 15562.95864 21793.19816 22234.62599 25131.64536 21548.6064 24159.01678 36560.63436 16881.96498 14506.56592 14587.11025 12197.9726 9696.577022 957.568608 14353.66813 1316.866666 14506.17394 Artomunoxanthentrione 1951.068541 2030.091554 2584.839422 929.8513817 829.4076671 1209.836207 1415.499504 1940.744471 2065.805343 2941.807189 1390.769893 1947.723204 3125.797003 2249.153358 2398.414171 2285.682861 7999.84095 1647.667411 3910.091617 3806.790167 3305.753166 2815.207171 2916.126692 1862.54357 2037.492877 4620.625938 2461.330633 2842.185862 3741.865464 818.4854969 2656.282254 1102.99073 3983.640492 3644.660666 4739.058267 1309.99149 1716.251014 3285.67771 2967.683349 2000.594036 2576.968759 2977.755456 1653.555678 4010.690806 6377.151243 1881.268879 1609.913599 1937.071528 2360.978715 1354.038051 2287.92881 2064.825243 990.1285792 2075.400416 beta-D-Glucopyranosyl-11-hydroxyjasmonic acid 1995.52544 5266.846068 1372.897534 2144.404013 2442.73987 2214.865137 4092.762192 4425.70424 6051.63748 12985.29155 10794.7446 15060.30789 10812.97118 9607.538471 19387.33221 11936.29101 10835.68175 10693.48655 2243.816668 2968.592954 2446.710202 1094.87385 3139.960871 3171.273471 2782.856028 1642.85238 2717.997412 23206.06374 17154.4178 8733.968949 11281.63618 5519.102922 11902.26432 25093.86111 10204.82011 8612.187178 2251.166589 1695.55366 2180.910555 1446.942548 980.9650062 2358.879338 3213.550484 1284.935748 3413.237741 2527.07968 3687.399303 2649.489807 4160.990535 8915.03663 10022.89017 3124.121138 13880.27019 5019.108362 Pelargonidin 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 4907.883883 2388.109585 4931.258058 2907.479465 9587.39382 6175.234782 5023.479433 4593.655613 4976.436694 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5743.490229 6002.335531 2106.766333 4573.220557 5117.124232 8068.669972 5845.05343 6097.78358 4435.559734 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3736.392166 4.07813e-08 2710.497082 4.07813e-08 3,4,5,6-Tetrahydrohippuric acid 866.3060616 987.7045413 1071.691787 1052.608291 1045.762745 904.689184 1074.357874 1046.512494 1134.778575 4.07813e-08 4.07813e-08 4.07813e-08 40.9550309 4.07813e-08 32.44398271 4.07813e-08 4.07813e-08 4.07813e-08 1623.703426 1987.455817 1409.733815 1307.458386 1519.019488 2051.320707 1394.314981 1671.509771 1833.008342 4.07813e-08 4.07813e-08 4.07813e-08 74.93274901 4.07813e-08 4.07813e-08 65.18324291 4.07813e-08 4.07813e-08 1184.411967 1192.095502 1063.34882 1342.93221 1499.591071 1419.053678 2217.52114 1503.170368 2193.461103 1652.277459 1041.860997 1153.509632 872.0149257 615.5206335 4.07813e-08 858.9952107 4.07813e-08 2009.506873 Biotripyrrin-b 1454.354043 921.0148709 1634.491463 497.3875346 1474.662573 616.9055821 412.3559437 1775.839873 2154.727607 472.786688 4.07813e-08 186.9092849 331.2481842 4.07813e-08 353.7390642 4.07813e-08 151.092673 662.0564859 4460.868985 3532.994228 2756.514548 2342.838256 2390.670891 455.9975301 1667.214983 2542.204874 1242.945807 648.4578558 878.4763191 4.07813e-08 4.07813e-08 681.0207386 793.4469766 876.5987202 4.07813e-08 4.07813e-08 2156.658291 1957.236939 3290.516742 870.8592393 1760.213485 3955.101901 237.7804864 1791.32886 4680.873227 918.1284332 4490.370229 1245.144952 2464.938468 1323.750362 1235.71451 1669.747028 336.388863 1428.197922 PE(12:0/0:0) 7303.177378 9383.038797 7598.311984 9657.653747 8955.153841 7227.526624 7906.229469 10300.98276 12886.77561 1223.581275 1925.286089 2993.698483 1662.344237 2439.997027 5744.060536 2044.400448 2734.753327 3027.151412 8006.004149 8074.471536 11092.26153 9674.58898 6492.960097 6665.683898 12219.00889 5378.274095 5093.711667 2879.642571 2812.279081 2218.937802 3350.324932 2372.072214 4213.180483 3533.194896 3398.168938 3406.860471 11543.38546 8823.451711 13327.37223 12411.72254 10797.87169 8427.049906 7027.481732 4449.418993 14061.43398 8419.021022 7994.189078 7065.017852 8213.522818 12985.91759 6612.35455 5915.494318 1966.364459 3586.617233 Alnustone 2844.708261 1388.821903 1646.349023 1268.295624 1091.741037 1393.275165 1426.127112 1038.157597 875.6801479 114.9890797 150.6602877 12.86709357 145.4860966 32.52789077 165.3119387 39.92372705 4.07813e-08 58.32108658 343.2977131 1068.915009 1186.756062 359.1784115 788.693223 555.5127755 448.3005068 181.0014765 1185.332971 12.67767085 26.76656237 4.07813e-08 27.31145305 54.8920391 35.06336385 45.6163325 15.14859643 63.34191515 467.8602669 938.2614586 988.0549934 1256.768116 742.2204687 477.2256104 608.1920403 176.8267355 324.1096762 467.0962028 469.3974186 386.6068318 568.0857563 837.4555092 12.57706641 452.0108444 32.60620894 363.5371965 Dihydroroseoside 474.3675322 499.5093767 617.4087903 722.0271517 1345.113594 1965.419471 1053.568375 1061.250395 845.8161319 111.3934086 4.07813e-08 269.8410004 30.9219146 84.04995413 147.7801867 4.07813e-08 4.07813e-08 234.9129343 4321.847547 3887.585195 3624.126165 2976.683684 5581.789459 3898.887301 3344.209066 2665.20139 3788.313929 287.9276121 364.1929885 195.7438268 93.8276884 129.0830278 257.9298383 246.3553265 4.07813e-08 280.2441367 1942.45223 2675.933976 2376.313797 3572.646759 3904.884645 4649.248233 4235.988341 3196.784901 4808.766263 3945.444741 3164.827657 2318.449415 2293.105717 1626.773229 303.9951338 2361.152506 96.87516377 1875.894956 S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate 1737.888275 1696.188322 1342.008373 1232.761592 1640.375149 3817.757039 2827.666294 482.5208782 724.5050668 409.6439072 682.9901861 6.617936792 18.30068651 0.945870804 213.918324 4.07813e-08 38.23691572 137.6184695 2219.838765 2140.66257 3014.75965 1741.448228 2069.766082 4976.32623 3455.540527 1893.928507 2908.985108 2.355826495 1.716728517 8.518078033 1.236144376 2.286679421 1.431926885 144.6074063 704.5539986 182.2762138 1925.559804 1487.495415 1283.618153 2154.853229 1344.259338 2558.392182 4606.60346 2072.188271 1494.787426 4785.866681 3530.738581 1641.246871 2204.22915 2730.357839 221.4260711 3589.214649 28.86165844 2491.984035 9-oxo-2Z-decenoic acid 1477.118964 1200.856436 1573.636275 1351.157497 1775.028689 1572.942801 1234.678394 1236.064319 1105.519636 1155.335098 604.0646326 611.4731405 1146.51592 340.8767147 626.4347197 207.9918422 47.34555405 662.8013744 2058.687216 1741.855985 1639.485943 1728.938109 1984.219303 1958.724825 1719.149152 1749.728511 1789.560792 440.270865 547.2023307 320.6362873 543.0656953 462.2205456 459.1824008 548.1454684 262.3667238 405.6723347 1529.827079 1773.689839 2183.041782 1513.336027 2119.277865 1698.007871 1749.239764 2221.722294 2124.886564 2256.472837 1696.112707 1730.45589 1624.284128 1150.913828 563.2884483 1759.904625 433.6423715 1685.57816 Farnesyl pyrophosphate 1488.509889 2146.783335 2112.860736 259.8638212 1216.942288 4208.844889 226.375413 389.2075442 362.9732118 635.3784068 4.07813e-08 4.07813e-08 539.2854551 3317.827558 374.718463 4.07813e-08 216.4859189 4.07813e-08 1646.746411 6908.09957 4681.749191 5534.433543 2522.252038 1339.447142 1030.838137 9222.359692 8528.847737 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 54.52515271 4.07813e-08 127.8929164 1374.225703 4575.681757 2444.470906 7111.085492 1005.817221 1880.827065 1328.951614 11362.02032 3810.036921 223.8280925 596.3114877 974.6374308 9957.62377 2841.633402 1415.01301 500.4393676 4.07813e-08 1463.012194 4-Methylnonacosane 4.07813e-08 25.74694081 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51621.67006 63253.41254 31391.38501 51506.16996 22679.36688 82990.94453 124966.0642 32820.69563 56160.68218 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 38648.26515 55508.28584 26944.35442 68287.59446 10759.68985 38807.30695 85218.12768 42561.58023 87869.95355 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27697.29809 4.07813e-08 12483.53586 4.07813e-08 PC(2:0/0:0)[U] 563.2496827 2469.020227 4.07813e-08 68.2136198 88.12063938 4.07813e-08 192.3725984 4.07813e-08 242.4799806 1434.343659 1777.416817 6286.620269 1464.698305 111.678717 3194.066493 1717.930856 27381.94463 4.07813e-08 71.78846406 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 80.02047461 54.1043228 4.07813e-08 3938.647932 3675.940263 11697.11394 898.6371338 1060.188856 2422.309266 6338.134081 17289.86432 8531.21681 515.6618832 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 87.79633582 4.07813e-08 222.1174994 459.7122336 387.0903171 4.07813e-08 5600.942078 379.9891625 4763.422361 4.07813e-08 2'-Hydroxy-2,3,4',6'-tetramethoxychalcone 311.3586114 2320.618852 1358.732963 3111.096462 3675.37556 1628.091575 2482.275386 1310.141209 893.7921575 438.4839857 243.7031274 224.669441 286.382175 174.2800515 125.3550433 4.07813e-08 167.8233102 240.3419277 2457.253366 1751.085658 2229.079925 2268.169446 1518.647122 1355.531084 2735.608936 3166.23234 1777.512151 389.178906 591.7982761 136.0840468 225.4506261 384.4498859 328.0654821 751.1593505 4.07813e-08 4.07813e-08 9559.606983 2020.227401 2997.125369 1790.343088 1086.626196 2320.063269 847.4572903 3343.583746 4859.896196 1379.972514 1389.491845 1399.746152 1556.108726 2412.75637 430.1195495 1520.150395 547.1238619 2432.445053 PI(18:2(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 24004.0542 27499.22775 11093.99001 17731.73938 13142.89654 11481.11269 9794.350142 19751.89105 34183.84113 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 599.7739195 938.2815109 12313.80873 311.3032772 3604.983302 1808.978286 1339.790399 4213.979921 11248.05371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 472.2488767 4.07813e-08 4981.750595 4.07813e-08 (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-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 9403.222514 8528.210671 5285.487334 10547.75435 3434.237188 4740.477698 2260.183187 4.07813e-08 3046.204028 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3561.055958 4073.813665 4.07813e-08 1749.948477 2284.166541 3858.978485 5149.77841 292.1303669 688.2709098 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2665.123837 4.07813e-08 4785.808864 4.07813e-08 Loxtidine 9347.155402 20183.02888 11248.14353 9464.438351 11598.39773 10130.93177 8851.753386 14451.182 20199.89064 2764.562897 2422.901206 3324.124314 3236.362764 2658.761405 3080.445072 1315.78217 1673.898241 5389.35468 4241.093395 1484.8521 1362.339523 4.07813e-08 3589.526421 4.07813e-08 7641.490736 7801.232233 226.5969475 3591.219882 2638.612112 1974.827071 3591.710761 4414.990572 4074.938536 3571.028221 2234.765085 3822.092093 27914.30291 12571.26694 4352.516895 2032.850796 4.07813e-08 11654.31124 4.07813e-08 9317.91994 2789.891448 4.07813e-08 1606.703381 7322.837706 11497.2841 19425.29813 4481.864783 7660.105245 2104.589283 3918.563445 2-(4-Methyl-5-thiazolyl)ethyl isobutyrate 4.07813e-08 256.0554523 4.07813e-08 4.07813e-08 4.07813e-08 73.82184633 813.8253831 4.07813e-08 4.07813e-08 4.07813e-08 525.9579908 6529.469651 146.0273757 4.07813e-08 6964.944541 1798.436801 40632.26233 4.07813e-08 166.7041612 125.6432802 4.07813e-08 56.92107728 4.07813e-08 102.3290572 270.6803435 4.07813e-08 4.07813e-08 602.9340682 719.7228423 17418.45756 4.07813e-08 225.6614031 2939.739127 4395.955848 11968.25765 4.07813e-08 64.22317308 47.37631903 4.07813e-08 4.07813e-08 47.28974829 4.07813e-08 112.7709664 54.54271914 59.47679991 4.07813e-08 103.2575386 4.07813e-08 85.37710745 60.55927147 8779.237258 58.78677928 1117.085585 4.07813e-08 19-Hydroxytetrangulol 297.9726427 2464.293978 4.07813e-08 4.07813e-08 662.2382595 1680.75264 613.4859528 1977.26223 3184.368156 2042.839765 2977.90189 3086.334207 1999.34405 9599.101026 1900.824185 2099.875263 4014.248543 21267.99746 4.07813e-08 3.708397159 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 45.7062698 1238.672794 3365.393482 8259.491807 7091.402867 10332.28603 3470.832006 2483.587661 1732.676466 20963.01619 96.46843106 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 213.5020451 4605.143709 782.7363923 3256.65971 3112.01531 14910.08703 867.7347859 5305.77693 3059.280171 p-Mentha-1(6),8-dien-3-ol 433.0303553 387.4469947 393.8728429 660.0682167 655.6972505 661.1533366 441.021731 563.1758579 239.6841296 39.86376471 55.70341002 39.60604019 83.44751651 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 92.79083621 648.5877279 390.8651342 364.1280381 391.9824707 789.4062602 366.5948384 463.737322 390.304677 656.7074042 4.07813e-08 4.07813e-08 42.60066743 116.1820163 42.36876728 93.48921783 128.49073 59.46679419 4.07813e-08 528.5897914 708.6846415 422.5593388 568.307415 755.3971428 703.1704538 354.0227341 579.0457189 691.5783469 590.8444548 341.9838938 524.8046633 333.5194544 385.9141806 41.99350931 239.0757897 4.07813e-08 425.4822827 Diacetoxyscirpenol 0.002300928 553.125174 1.510980603 1.998624894 4.07813e-08 4.07813e-08 211.2799663 113.4206692 0.014705541 3014.792688 4487.980431 1142.950906 2658.811817 173.1369464 1916.190248 7484.531395 4317.945103 1499.809068 9.135546451 6.561615937 9.911754549 1.852248086 14.33208579 18.10449923 277.798979 8.900955102 3.883394312 6524.658245 1529.176703 5264.772988 1313.362458 9408.0784 7463.788537 2357.197695 9523.131682 2025.184548 4.07813e-08 11.51400166 0.097313612 3.881521772 179.1063737 0.503628304 3.197295386 8.609060584 311.5188523 0.153954981 159.1448738 6.651139425 0.009402298 536.9034809 5676.335438 219.782682 9025.729625 31.39297148 (2-methyl-3-phenylpropoxy)sulfonic acid 1409.337608 685.8540961 1402.837412 1082.16541 561.6337959 2041.75646 962.6774818 1363.27589 3184.867957 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1540.803282 1864.9366 596.6849021 842.8549913 2025.285415 2637.818107 1285.576019 2799.896453 3698.601307 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 544.5354361 1774.073866 1157.054981 1306.71561 933.712628 1426.917303 2476.274206 3219.547951 1921.783347 2739.237222 1652.99942 2007.047035 1023.222967 1131.798907 4.07813e-08 1519.269539 4.07813e-08 1893.398965 Acetylvalerenolic acid 2653.292632 3319.329653 2880.871041 4135.622296 4788.321542 5148.577274 6430.130387 2141.93672 3882.657779 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 138.8215176 8156.044665 4.07813e-08 9892.081444 10450.85299 8901.213266 11588.15408 16151.61567 9097.615301 11293.27865 5636.499899 6635.860466 4.07813e-08 4.07813e-08 324.3560405 83.67661001 245.60807 83.53471199 4.07813e-08 7890.047157 8879.31165 5784.780135 9747.316872 8779.637398 7964.798669 12735.56091 17437.3663 9810.008307 5147.143679 8169.034202 11518.16565 8138.972227 10707.14761 4671.267414 4356.948438 11727.90747 9294.944054 10924.52538 4746.47603 1-(2-methoxy-hexadecanyl)-sn-glycero-3-phosphoethanolamine 10013.11538 14002.70683 19243.19114 28029.35066 30383.38352 22091.02201 18612.34488 6506.966734 3538.223118 6024.242082 9418.66442 20266.54536 5311.14591 27092.72522 10810.41964 10869.77888 3070.749122 3659.508011 20270.36939 18715.43978 15774.58254 17813.19739 26031.45363 19480.31157 20225.15091 19359.86674 22639.82924 5280.04004 9647.885687 24100.76568 10919.00084 19426.27732 20635.02478 8776.844112 9467.14531 23589.88326 17182.19109 15067.67953 13801.95173 17328.17181 19926.451 23722.37333 20972.80542 18772.54045 24220.61924 19345.57811 14740.09965 14457.00685 11542.13069 11636.88293 12532.32801 15762.54717 17068.44188 17592.73675 Distichonic acid 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 1149.071434 2949.081221 2113.32695 1209.516125 118.0052855 393.8692407 902.786112 16870.11384 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1415.52974 4636.998352 4270.648125 1701.496601 5393.551558 1721.738369 6241.287281 4841.08032 0.19593779 4.07813e-08 4.07813e-08 4.07813e-08 0.19219278 0.298036814 4.07813e-08 0.004491601 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4353.18588 4.07813e-08 1738.701776 4.07813e-08 Asiaticoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47249.1753 38239.97596 35929.74118 43827.07626 42329.41652 37383.85141 17647.50689 33521.46432 69833.47038 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31130.757 41212.16267 37660.32024 30516.95309 62957.9613 46431.89829 36244.42573 21464.98426 35803.24431 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 41680.04068 4.07813e-08 45128.42313 4.07813e-08 16a-Hydroxyandrost-4-ene-3,17-dione 2767.207723 1991.831855 2926.381081 2529.468146 4801.123978 3145.632366 3369.46731 3706.741078 3361.111434 1018.075589 421.3609329 1402.74466 348.7096119 467.1078629 280.296253 223.9818593 103.6890908 2287.311383 6304.239419 5173.355967 7247.940767 5976.768025 5648.284133 5952.473897 6048.505472 5249.342775 4604.41489 249.3478876 779.746422 871.6292116 453.268867 292.9810374 296.8346205 1398.008999 9876.179655 674.0485607 4544.49949 4562.574445 5360.703128 5150.682014 6389.291585 6128.807546 4254.407237 5314.704663 6355.342224 4642.671552 3094.177449 3354.241013 3568.873905 3011.305284 2784.998978 3498.16815 479.9185213 2694.587548 Feruloylagmatine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5510.669378 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7285.778276 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12905.33643 4.07813e-08 4235.318463 4.07813e-08 8363.850272 12885.04879 4.07813e-08 19713.86526 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1531.269154 4.07813e-08 Prostaglandin F1a 12715.55596 14765.8127 11406.92976 12850.693 13490.47584 12561.62567 14020.90466 13351.47495 9946.415274 10422.54923 8891.092465 5801.653894 11016.88958 4773.565561 7494.362225 2789.632353 419.336935 1635.199857 24166.86373 14744.40227 20908.89754 21723.60194 17650.74312 15629.57822 15651.35799 18646.66618 14962.64566 514.1827813 2233.517672 2890.930229 509.5007955 3568.639638 3917.577594 2243.306125 833.7377733 2770.096568 12556.05894 13625.93768 13807.15791 14032.97614 21481.99785 19606.90422 12670.39516 18278.75482 21924.92058 7548.626493 8592.313914 10481.54063 10219.11058 9064.127365 3199.325282 11663.6219 1587.189946 9611.018839 5Z,8Z-tetradecadienoic acid 3007.153792 405.3079028 1794.448109 1637.288574 1894.102858 4676.530594 3241.028951 3073.702771 2838.306177 4.07813e-08 4.07813e-08 4.07813e-08 76.54324199 108.8518224 4.07813e-08 153.1279102 4.07813e-08 92.50419424 2098.347511 1395.124138 3780.09023 4472.176065 1598.350893 3171.157684 2425.540316 387.837131 1054.541503 4.07813e-08 212.3226297 4.07813e-08 88.03248149 56.52411047 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3318.27971 2233.187704 1849.884082 1920.959009 2002.890873 1529.425498 3148.18777 998.8766469 193.4391763 1331.03686 2389.207894 3099.568805 1931.042957 1109.645475 59.42071444 1557.366457 67.22724345 3921.222812 5-Pentyl-2-furanoctanoic acid 6907.364298 4523.104295 5165.381051 4460.041115 5616.501749 6869.318296 6114.37543 4599.640493 3830.631207 260.7270049 662.0702538 91.99543416 1643.898118 345.7245675 711.1337823 1.770749181 775.6349557 653.9617278 7319.127108 6749.680448 5909.034172 6958.458486 7283.367452 7854.832336 6086.742166 4957.344405 5873.902938 192.8217215 271.438567 113.4621854 327.6677923 206.0092513 404.9209078 1010.214335 282.7225408 4.07813e-08 5371.506105 8897.566789 6067.510111 5319.885953 6299.097674 7468.621267 7805.768347 4875.508705 5050.516211 5026.889936 5351.599105 6470.49416 5050.951396 3612.872262 541.2762889 5869.263575 109.1637213 5161.816905 Isopeopyl Paraben 4056.827888 3268.992097 3382.813729 3792.034607 3455.092141 3009.550356 3232.062762 2885.527282 3568.59151 2789.067743 2516.81717 2489.31953 2728.479904 3046.71274 2309.432354 3305.319833 2135.044104 2998.134974 2419.182595 2503.289938 2277.330668 2747.050731 2611.836709 2637.931613 2420.441905 2381.276752 2714.804275 2295.004099 3009.599755 2707.793146 3592.460928 2245.312887 2621.848259 2511.487249 2991.718886 3224.755343 3020.059097 2754.912069 2763.238676 2710.251942 2391.183304 2592.581551 2720.299888 2953.396689 2568.333504 2868.787217 2255.412354 2515.288851 2796.765609 3063.329796 2260.501576 2486.726484 3062.535726 3518.976104 3-Methyl-5-pentyl-2-furanheptanoic acid 9218.005608 6500.793961 8895.851058 5971.941012 8350.368948 11899.2594 10006.96788 6801.516376 7982.509738 2314.809367 3457.357868 1105.888118 2519.174909 2028.90777 3027.851034 619.5120457 500.5537829 1690.648435 16939.54557 14414.09867 10596.70057 9672.526036 11775.28423 12292.50033 9509.288223 9908.990207 10080.96941 108.253632 1598.338094 2019.142032 424.8232983 2341.050388 1025.452662 921.4247068 1218.54289 2042.449359 6383.139225 13402.26515 10085.35025 10152.34456 9287.856889 12468.80891 11653.98426 8341.491938 11639.92276 9432.384424 7169.586196 9723.270559 7038.130572 4894.296713 1277.799182 9424.09436 707.7877499 9809.247821 2-hydroxy-nonadecanoic acid 4928.016935 2187.285336 9021.897959 11805.5047 10657.15438 8984.668791 4316.56533 1690.529949 1989.040094 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6725.016606 5077.885769 3340.062987 5365.692497 3588.351313 4932.859937 2073.398483 1890.808523 3979.120303 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1731.234661 4858.808266 3368.45978 2829.932832 5424.354496 4171.991823 4161.501216 1704.405931 3628.862475 1567.111568 2720.097269 4010.253833 2198.902679 1326.9687 4.07813e-08 4843.598516 4.07813e-08 2669.395378 N-hexanoyl-homoserine lactone 930.2069506 431.7340843 914.7185029 768.1725582 980.3496977 1068.110881 944.0095618 411.1123775 526.3328729 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 696.165774 841.156414 348.1638405 485.1662329 461.2943032 1007.759554 574.9970592 389.9131871 308.0212224 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 111.6850284 4.07813e-08 715.5448724 817.5508758 534.1893201 284.2676032 632.8451921 587.8179193 888.7923227 551.3473079 101.0221343 661.5401726 816.7589472 1113.553569 1058.614819 706.1976186 4.07813e-08 650.9779877 4.07813e-08 1325.306672 CI Orange G 7714.992598 8358.06101 7128.755112 466.5626095 4.07813e-08 12320.52776 4.07813e-08 22223.20287 26705.74898 4.07813e-08 4.07813e-08 1059.575797 4.07813e-08 2736.894037 1940.496237 4.07813e-08 36599.53513 802.986714 26033.91567 10123.39266 9477.113199 14605.11969 613.8617058 4.07813e-08 178.9277195 4.07813e-08 4.07813e-08 1359.44331 2075.480828 4.07813e-08 5478.334825 2882.366516 154.0880367 2765.160877 6274.011624 4.07813e-08 13832.12034 4626.172887 21080.95318 12472.79031 3541.546895 7680.655214 4.07813e-08 4.07813e-08 4.07813e-08 59519.97085 102853.1366 23868.65809 27157.97946 6883.17775 3311.896708 30781.53124 4.07813e-08 1497.659215 5-Heptyl-3-methyl-2-furanpentanoic acid 7062.014652 5653.194399 6609.21423 6280.635654 7651.740227 8947.055883 7444.776275 3469.312779 4467.739795 572.4490027 1399.4782 4.07813e-08 1246.058625 652.2393843 922.9175385 487.5142721 103.7949284 4.07813e-08 10754.13419 10970.2583 6830.297562 6131.081026 9718.984465 10743.02895 7081.020701 10586.65641 10564.90136 74.97719244 4.07813e-08 449.8956362 307.0237349 444.3247267 326.9068653 4.07813e-08 220.7219954 4.07813e-08 4564.128294 9533.53618 6757.468234 7170.126668 8120.161578 8086.243897 11420.53113 9869.680331 13629.28356 11342.1042 4811.144484 8619.519198 2946.825412 2871.772743 357.5845893 7023.113801 192.3451535 7068.224458 5-Oxooctadecanoic acid 1057.940531 3676.514617 13728.89703 4959.308808 45169.18656 6978.170421 549.4331554 133.7520285 4.07813e-08 6876.544003 2199.338911 965.7551285 4199.591622 4.07813e-08 5881.896606 402.1335333 243.0417629 4.07813e-08 2219.462542 2612.024889 1219.747708 5029.641883 6895.308565 4461.583578 3121.380551 4484.937824 3925.698894 1589.047568 388.7857687 4.07813e-08 1408.077148 4.07813e-08 7239.340834 5370.211122 811.8529759 186.763886 3402.867827 2820.997936 1763.782208 955.4078595 1314.464141 7012.253206 1722.555471 3327.008166 6509.548183 603.9843727 4.07813e-08 144.7013757 452.4623894 3456.805539 1485.766784 1170.962295 4260.531648 146.4501508 Citronellyl isovalerate 6031.204999 3679.26878 6303.087717 4868.19125 3382.121492 4710.115519 4358.712139 4171.726549 3552.452029 1178.993628 785.8479143 1155.073494 1709.630236 1965.864479 969.9150862 2367.163904 561.7724773 979.300238 4841.663239 4183.297189 3978.526756 4288.941498 4196.350228 4927.471748 3539.974216 5184.321323 3754.697471 942.7996119 839.4843329 2259.777954 1470.612846 1036.393259 791.3454883 1477.572039 991.3066418 1281.411364 3882.520739 4125.937008 3612.172501 4283.192644 4149.125069 2983.975057 5745.011216 5468.49711 4049.845488 3371.137878 3545.769116 4581.713867 2862.09663 2559.224089 592.2105632 3227.928356 889.8970241 4850.914343 2-Acetyl-4,5-dihydrothiazole 574.7733254 330.3310166 220.4491278 332.9806565 463.4162476 763.0351671 981.260402 1195.676217 1051.257505 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1565.124573 1126.085979 1173.253352 789.4544996 861.3402531 2230.8288 755.2163949 318.2126976 1013.642752 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 335.0500248 906.6911391 995.3953284 1180.285094 1191.733328 1069.689708 1234.054351 232.0817839 547.0289895 419.46671 908.4927871 1271.760797 699.9729489 189.3197936 4.07813e-08 1305.89979 4.07813e-08 504.7002151 Dihydro-4-mercapto-5-methyl-3(2H)-thiophenone 1008.944476 782.6478161 183.5062031 805.6567172 708.1180141 686.4216301 945.9856608 817.8543927 1126.902149 630.8013346 723.0753464 632.4841362 548.8617433 804.7544986 765.5104651 1001.112664 746.705098 984.3102044 494.9001991 594.4882024 515.4942793 465.8552078 547.862761 392.0777427 686.8068423 794.2816819 727.6837019 749.940336 651.8786323 563.38391 573.3608747 536.1861598 703.0683968 687.2344437 904.3819317 758.7555114 443.0028579 596.3573826 544.8658464 570.9109302 700.4036965 443.922236 621.1503929 757.5474472 531.0669896 985.9544008 540.3809516 501.3301471 642.7759627 664.1695828 207.6907957 678.2916322 548.5503728 804.6823873 (-)-Blebbistatin 79255.84464 65211.67186 67645.14285 49001.66499 45258.58576 49526.08074 67474.5415 55705.59701 72966.87661 25431.83642 15355.03457 31845.15539 32269.40548 22964.97685 33029.39083 1462.80382 16112.68539 28214.0235 66047.17685 47302.23771 56987.95329 55983.95785 45151.56874 65627.20316 43983.15858 64944.98107 62608.8382 42887.18037 40387.16497 36042.80871 25639.95668 46373.70397 51736.64883 43320.85406 46232.59612 23430.18527 66041.51963 69195.98023 72490.22134 38740.64953 45472.49182 58284.94695 68785.66296 84552.36291 47864.60791 55113.88766 55992.50151 56202.83935 65493.03732 65134.77112 54926.72387 49536.13478 20543.28874 54418.96986 Oxydisulfoton 38276.98243 10077.1665 4718.035545 3551.855847 4.07813e-08 9292.607225 2157.380311 4812.666768 2795.46466 1895.120519 732.474133 37157.11773 1693.241211 25929.80213 61573.01933 45897.25333 218842.5255 94635.81671 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 646.3030397 3657.249855 15269.61871 44868.80774 6578.432706 57827.56202 8087.993562 4207.228717 15204.02902 79856.60353 69143.05563 32115.55979 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 767.7871171 4.07813e-08 736.5200848 6686.689315 11813.16642 32550.5634 13778.43759 39217.19543 47857.02357 26953.53285 28781.37555 6850.504136 27497.51374 Clitidine 5'-phosphate 6701.37393 4228.562285 7152.036466 4783.0636 2901.79253 5599.560794 5312.06611 24024.82724 5553.13065 11.32004219 0.576585574 2.354860791 0.102520293 786.6920259 57.50554961 4.872454658 58.40094397 4.07813e-08 7804.617142 3945.331909 28608.16126 8510.045976 24614.43111 10764.43172 7686.691221 4116.039937 9461.828107 1.036987375 22.81719048 530.0716202 10.67899746 364.8562813 13.43344648 0.558126683 27.11932255 162.1675267 5923.717522 8148.904942 9083.596695 12340.53333 19179.62078 8018.268367 18679.25636 4259.510024 14925.91453 4713.493954 2394.244222 6161.527913 6327.536918 3989.638206 4.07813e-08 4953.094784 260.0878419 2986.56216 Thiomorpholine 3-carboxylate 960.7153429 1888.122807 825.9134374 304.2609696 745.1286921 791.6059634 808.6465909 1449.348229 2062.875406 5527.077047 10547.52552 8502.725957 5833.932301 10110.40967 8518.007635 11451.77614 24497.42938 10055.77099 517.8399559 680.6451994 739.9949574 882.5246683 991.1285746 694.3787287 454.6510017 1252.70557 956.3809264 13587.11897 8974.86583 31812.16025 10752.26189 21993.64256 7421.817239 3140.66437 16847.88314 9302.256634 1055.706302 691.0657681 435.9767758 960.1114418 842.0547021 910.4608 458.6279143 1417.783424 1450.509031 820.9555726 1424.433816 1437.393666 1170.501102 2484.853054 11843.00023 2570.255178 7221.938979 2029.28849 (3-oxo-1-phenylpropoxy)sulfonic acid 1243.541358 575.8171175 647.4866772 1049.597244 2088.060048 1135.057695 1606.605529 761.7628017 476.6309392 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2625.43127 3477.359311 2769.707962 1860.574187 3427.018366 3069.854089 3166.959533 1731.813769 1985.372169 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1285.761014 2617.415149 1626.772626 2361.439946 2158.090843 2275.868818 2456.363909 1223.734149 3081.847004 2713.960897 2696.00063 2093.930718 2195.032341 2740.352444 4.07813e-08 3003.290229 4.07813e-08 2585.357404 6-Thioinosinic acid 8191.36463 9412.846456 8674.437427 8807.406949 7117.319962 8592.802675 8129.579088 16147.97532 16920.34982 4876.541294 4620.653463 5414.620132 5721.02308 2875.102084 4681.426649 1470.316804 3199.149993 4935.048969 15729.3231 19189.49906 12159.22848 10495.32424 13732.63292 14049.6647 13679.79428 9447.319119 10167.33612 8184.68169 5352.349528 4438.373276 4140.15559 5784.901413 5838.50634 9237.059235 3767.591432 3710.502741 10040.21259 10120.88743 9042.547599 15685.75646 14396.81316 14656.56532 15929.07737 9639.479209 18060.18877 24796.07018 12687.17993 21948.18162 15485.80886 18170.55094 8145.518297 17422.65421 4640.152627 11690.14414 Allithiamine 4259.534345 3802.349805 5486.118399 6255.150671 6364.442249 6758.068076 5097.447455 4406.181729 2497.786064 6520.676514 5995.661099 6642.802792 4983.620066 6550.558983 3491.954139 3727.124565 2993.79371 4551.312265 6155.686144 7298.936839 6487.28302 7494.282502 10499.98505 7654.357388 7094.268306 9144.303716 6735.026662 5095.27514 5281.528825 5265.170934 2515.666062 4572.652736 5254.842275 7388.274074 3172.857898 4390.235735 6250.995165 6689.406272 5763.394986 8836.533478 6184.826805 8038.65522 7610.380539 8610.526502 10162.60553 5505.135973 4189.108798 5682.374141 3507.50538 4069.737858 5448.976472 3469.368736 6199.396915 2792.234873 Acrimarine H 30852.36931 43934.58279 5691.796904 24417.97386 98510.34576 15712.97858 9706.96435 14463.96291 8332.248434 688.2477476 929.5214533 448.7629233 827.3039538 234.5986768 2973.084899 639.1513466 10921.60996 662.6810068 28897.36298 10075.72495 8495.173931 11428.06952 24568.20148 11628.33967 12557.01495 465.6188608 5027.507197 7228.449382 565.9049045 850.6754665 1086.993686 606.1312128 1137.521599 928.9239607 10033.51385 1221.938317 20333.51785 21471.49427 15450.36384 27771.78355 22848.06912 33041.16161 11168.88333 4.07813e-08 1440.282883 64843.42896 4710.333051 24913.604 22762.18521 15736.45957 192.1790699 31115.89973 147.4345976 15484.17906 3,4,3'-Tri-O-methylellagic acid 906.7001426 2316.17518 2037.387847 959.7503351 919.3728241 1459.223736 786.7250244 5037.347426 4909.979427 4.07813e-08 4.07813e-08 583.3135994 4.07813e-08 4.07813e-08 4.07813e-08 18.10692856 59.94589902 278.9703225 2291.982705 1849.028554 1292.403721 781.2262033 1271.923563 2509.107616 1772.538898 402.8822116 589.4305665 4.07813e-08 4.07813e-08 91.1033165 78.72069887 78.91313307 33.60850433 4.07813e-08 89.19079818 4.07813e-08 964.3400201 1680.681423 967.9902441 4351.506199 2425.839247 1279.886131 4488.653899 679.8255005 532.8038841 7534.125843 2363.389928 7721.079818 4448.690634 6380.961368 4.07813e-08 4306.675405 4.07813e-08 1880.725024 AG-370 1565.389625 1233.755657 991.4654574 1114.993288 1031.028191 705.3604426 1527.5794 1066.694979 709.7158837 799.2217033 326.1546371 432.8986745 1123.825227 181.6663848 313.9389326 125.7806974 771.6215947 819.5979724 4213.266146 4158.752056 3821.510339 2921.909219 4120.412565 3742.31038 3508.300223 1507.425398 2219.39659 629.2794322 389.0015241 680.2645206 722.1349225 1779.093345 565.3455618 294.144057 661.5228611 2229.724546 1517.834475 2398.659925 1620.516701 2208.706211 2697.287758 3619.812053 3392.440109 1660.999417 5274.754979 2846.072613 2098.356341 1472.697208 1359.622614 1600.448243 1437.896002 1834.920515 1166.747213 2534.231557 Gonyautoxin II 2951.316674 2444.044342 1007.456288 1202.525659 542.9808484 586.1782731 2912.114424 2839.682903 4320.419667 1588.161107 1508.640083 2537.505507 2116.381338 2258.175277 1857.688813 2821.844003 2635.533744 3823.705741 397.8348493 135.4928408 619.6014055 193.7098397 282.9565457 443.7845552 1404.425438 921.8029184 101.0442402 3419.342357 2429.064332 2337.99464 5019.859581 2097.740616 2701.299016 1554.604079 3400.479194 2200.893199 1976.097073 388.7099706 360.4774864 850.0736525 358.7338278 87.87145971 870.5243884 1386.702703 282.6949957 531.1203489 2888.288681 1465.280573 1402.032509 1618.325256 1494.522269 2013.12416 3649.893898 1146.971324 N-Desethylquinagolide 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 15763.21254 16087.82036 18101.16314 17568.5888 15937.51145 18245.1071 17356.49601 12867.4694 25467.20654 4.07813e-08 93.23316641 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 349.01282 4.07813e-08 27167.78837 24365.73926 41992.95496 15716.04361 32489.58578 20405.75992 29340.72925 7006.399746 37632.27777 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.748507418 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34217.78959 4.07813e-08 22184.4331 4.07813e-08 Kinobscurinone 300.9521449 841.2112856 123.7697266 4.07813e-08 204.3272314 160.0838957 533.0878732 458.3618573 149.6680607 3467.071891 2930.424675 2821.473274 4383.026015 1408.835833 2015.368642 1667.963167 1397.68943 3336.494812 231.5670323 371.9322811 202.2193979 4.07813e-08 361.1351842 275.9551086 374.6194848 588.0906512 631.4019196 3199.067003 2514.68184 1176.096755 2484.836292 4202.059915 1799.455726 2825.621856 893.660525 1700.546531 484.034138 70.3385272 169.277993 209.1204983 241.9609673 223.1466456 234.8515231 194.6152847 410.2651732 172.8051969 130.0072914 193.826046 336.5061413 1272.946717 3629.221197 494.563607 1834.100022 167.9890432 7-hydroxy-10E-Heptadecen-8-ynoic acid 11719.72732 9962.888861 11217.15044 10423.38918 11904.74367 13702.76663 10768.85753 6266.646803 8121.34876 3512.937982 2068.105003 789.1866669 3539.401241 1346.720745 3529.718317 2416.272982 985.0174049 2056.81056 12511.36967 15055.56318 11468.6688 11040.80771 15486.65692 16596.6224 8294.323502 14622.73259 13649.59109 286.1310835 1655.652798 1812.387267 1850.820778 714.1212627 1146.548013 1829.30828 3398.781575 986.4219734 9846.311704 14388.89895 10552.25527 9728.499964 12803.32733 12115.41939 15171.98031 11281.75711 13810.00701 15218.64093 7654.089232 12106.18768 6602.746966 5829.796711 1522.113786 11482.29147 4688.927299 9495.212605 3'-UMP 17408.02422 17585.12844 19569.81442 19339.52848 19588.31102 20129.9202 18423.16226 17556.25519 19377.5469 11062.4799 12133.45304 13564.97203 12098.45354 15718.66671 13974.77764 17441.48652 13159.70218 15781.86817 14241.69773 15264.53949 14961.7745 16212.08631 15884.7428 15843.07361 16151.1489 16144.80518 12811.56237 11398.94612 15979.07675 12549.95422 15529.36145 12074.5889 13342.19245 11848.66105 13268.27604 15475.05729 17994.60009 13818.45155 14517.38868 15898.28554 13709.96663 15003.97748 15234.78175 15198.59048 13661.13933 18943.30369 18170.24695 15668.75824 15759.41499 14577.21128 11117.21954 16217.8049 14218.28894 19184.28572 alpha-hydroxysalmeterol 4.07813e-08 4.07813e-08 2881.924925 699.6129935 886.9428138 13676.30166 5565.193881 4020.194507 5566.904999 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3899.82137 13146.24523 8902.677631 6458.164598 7606.715862 13300.32194 7162.479038 578.5154241 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1548.706757 1813.09236 2135.033102 3903.369439 14712.36311 2041.072209 11449.86097 972.8704808 4.07813e-08 23004.68239 11969.50476 17819.51152 5821.816458 2784.882244 2031.923697 8430.855557 4.07813e-08 3645.284755 15(S)-HETrE 7418.154987 8171.353787 12469.31238 20907.48066 8248.640796 18531.1474 10891.31835 9087.063144 6925.495658 17783.98402 10505.55678 10305.26239 16905.1543 7750.908309 608.1721596 1354.578389 2900.832925 4753.582732 13041.71961 15777.00729 8468.729669 15981.45673 16146.97015 20893.03376 13867.29331 11939.67961 7967.639855 971.7089714 8207.672582 1030.88987 3627.635904 2167.044825 4386.967366 1571.438939 1593.675365 1460.579665 6165.698867 13920.70647 10131.85149 11102.29896 18768.08642 9828.724331 22057.54162 8940.1911 31542.19354 9913.974496 7481.541226 7789.384439 5691.824118 3470.894876 1629.610943 8910.37281 2997.360023 7458.793066 Androsterone Enanthate 4.07813e-08 4.07813e-08 4.07813e-08 1950.295668 267.3912476 2985.704744 1692.457436 4.07813e-08 544.408921 229.8316659 128.1643288 2560.382814 4.07813e-08 3056.17063 3122.928926 248.2296904 25312.18447 2225.084855 1751.953724 3781.705213 1518.289898 6502.852747 2216.546081 4571.18732 3170.209091 1370.606001 386.3403602 4.07813e-08 378.0383685 576.1550778 16023.68699 4.07813e-08 834.4026729 191.8193559 4500.530776 271.7579119 4.07813e-08 843.7334904 4.07813e-08 999.912586 6172.216493 550.0492369 2791.234498 1109.124038 4.07813e-08 1369.707812 3086.917902 1758.288038 2028.505902 4.07813e-08 1671.835027 694.0517896 1659.60749 264.216987 3-(4-hydroxyphenyl)-2-(sulfooxy)propanoic acid 6875.632865 6942.237045 7828.982663 7848.584401 5969.259128 2486.691451 4365.895875 5750.854228 5113.821552 4314.244775 6357.050002 5645.014259 5609.434428 5460.199717 2360.814519 5743.04441 4073.35141 4052.085543 4797.005291 3821.388649 6028.023056 3146.760159 5872.657546 3278.448134 4798.525064 5661.463614 6091.753734 5423.710739 7894.410133 4288.807137 4666.800049 6049.985085 2949.975208 3460.157658 4913.839273 4788.427353 5118.742005 4265.57748 5316.393703 4818.169889 5020.83816 5978.273274 3390.797744 4334.955092 5410.415652 4561.749019 6073.036072 4600.414174 5563.605837 6425.754936 3253.366584 4388.570037 5270.336375 5417.375562 PA(0:0/16:0) 8681.510103 13035.54728 13531.47645 13139.77653 14576.02417 24002.85155 11756.23906 16575.25847 41208.39761 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2988.291111 15528.21165 16200.95174 1264.261412 33593.99604 35129.70843 1928.971027 4.07813e-08 13136.79746 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 36927.16251 6534.818557 28615.41689 308.3229956 9087.816249 19995.33088 210.2819763 175.4234796 19346.54822 24330.86066 26309.9838 14686.60647 1892.148579 4.07813e-08 5723.98576 4.07813e-08 15351.84439 Smilagenone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3898.376651 2745.929352 5041.894563 1515.782451 5967.220299 2483.725238 1724.663541 3125.630958 3735.545808 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 390.7055485 1037.95449 4396.96417 935.7085689 1589.662773 2290.329459 218.2595568 1778.504773 3596.298758 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 226.17161 4.07813e-08 4.07813e-08 4.07813e-08 1364.361636 4.07813e-08 3213.038788 4.07813e-08 (R)-3-Hydroxy-5-phenylpentanoic acid 67401.6585 63407.4951 60914.06827 55539.83743 54525.12145 59824.44636 58869.49084 61451.55943 63345.04862 49833.58487 44362.40603 43590.1244 42110.53353 54813.32788 42616.43707 61538.45165 44226.48198 55858.57823 44402.86349 43377.02338 37018.14538 47248.14708 43504.14618 45847.51446 46944.06939 53962.45932 49436.10343 42736.36036 46664.094 47967.22439 61033.13195 48299.92476 47176.79384 47478.52735 51293.73016 59939.72172 45647.04165 43135.8752 46433.30068 44605.82524 44918.53164 46460.45869 48595.69892 51665.21443 54455.49173 49075.86881 53414.29948 50728.03189 52881.84737 52575.68117 40618.14048 50059.89239 52510.64524 58637.45565 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone 380.592774 119.6946494 908.2371484 203.3005093 885.7148639 1126.047945 1637.635031 1203.138264 1765.606961 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2100.929594 3153.712592 2644.215341 668.7551208 3114.137903 2578.373017 2438.956992 4370.204346 3805.33155 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 329.9771306 838.8027991 561.3316279 3530.332136 1767.901536 1391.913182 2541.535292 3721.585548 3369.990775 2692.06494 699.3681962 779.5422075 263.6303049 392.2854022 4.07813e-08 574.5399644 4.07813e-08 1493.496689 AFP 07 (free acid) 4.07813e-08 872.1798858 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4560.463124 3588.584876 6530.990986 5832.692644 7141.872341 19092.07375 6903.676148 21461.87736 20991.66741 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.00814689 4.07813e-08 14645.7481 7717.257465 16036.74887 19091.40384 22249.19107 13380.96779 17907.43318 8928.475052 17065.54233 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1051.54655 26856.27087 75.50209561 11635.87169 4.07813e-08 BENTAZON 924.5615917 984.813892 779.2136735 1074.9445 1087.421808 886.0023167 654.3277147 942.6376783 439.4661034 66.13625416 103.9903984 145.6695234 63.39224218 4.07813e-08 4.07813e-08 4.07813e-08 44.04337724 167.2726737 1490.212129 1084.033149 1526.160865 1326.925443 1156.688414 745.9665533 736.775359 2112.381059 1803.033245 142.1968217 146.9153196 205.5965081 4.07813e-08 252.4909476 107.3653225 4.07813e-08 4.07813e-08 4.07813e-08 1580.757885 1276.289079 1356.915494 1075.291399 1118.480211 1174.393341 452.8028089 2145.577702 2396.706991 178.7261892 67.44009815 978.7032832 884.1829447 758.8829013 108.556546 879.5737367 4.07813e-08 636.0876984 2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole 4.07813e-08 748.5984219 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13348.14114 11911.48859 7022.257681 13535.42809 7313.52375 7773.264287 5938.149574 8681.826601 12502.96386 30.22841804 68.29646878 13.96657489 4.07813e-08 4.07813e-08 4.07813e-08 49.26789066 4.07813e-08 4.07813e-08 7744.198453 9532.236518 10250.97579 8179.889687 12128.39234 7423.726075 8786.733765 4449.546488 8886.215389 21.07869406 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56.001358 4.07813e-08 4.07813e-08 53.63140455 242.0772463 12615.55421 4.07813e-08 11187.26721 4.07813e-08 3-HYDROXY-3',4'-DIMETHOXYFLAVONE 4.07813e-08 394.2400078 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 93.57097094 4.07813e-08 4.07813e-08 10574.35359 9648.967129 5785.068125 10830.94483 5086.655098 6571.542387 4046.073193 7144.046871 10236.22685 4.07813e-08 56.82597528 4.07813e-08 4.07813e-08 144.6698971 236.1251906 78.5134386 4.07813e-08 252.7801318 6377.14055 7093.66508 7623.659813 5761.082074 9400.135937 6439.552837 8076.53067 3761.866785 6994.367627 4.07813e-08 4.07813e-08 4.07813e-08 66.29159159 4.07813e-08 4.07813e-08 326.1377842 127.5906679 4.07813e-08 184.661685 4.07813e-08 4.07813e-08 4.07813e-08 250.3149527 11548.94079 4.07813e-08 8471.775111 4.07813e-08 3-Deazaneplanocin A 4.07813e-08 110.0185426 258.63168 259.7759606 350.0941161 4.07813e-08 34.7467828 4.07813e-08 4.07813e-08 896.7968227 661.2213765 1670.950474 851.3582826 1269.62641 1416.018627 826.6123272 383.7630844 972.5854506 354.4279117 374.7496405 573.7957342 356.5144595 866.436207 741.4128086 456.2327063 464.6019396 972.7031814 2898.835835 2635.296905 1409.391399 1577.320793 2760.968446 1665.376763 2467.796277 1230.767468 1465.636593 355.3964699 174.7264258 94.7189446 500.5348326 324.1137136 622.0923049 297.7753719 250.3043155 440.2675806 256.8839764 90.70082067 83.13465344 392.3577595 249.6115602 3034.982031 509.2681105 1925.928592 203.4380826 2-Hydroxynevirapine 0.845766699 8.928027782 1.492905798 1.208958831 7.911745978 4.1210884 2.229974037 41.35901267 55.54373745 1813.886956 1509.62735 1044.173717 2105.600637 1128.90982 1265.089037 865.1671035 1570.572315 1675.450518 7.43339428 4.754671523 16.40681866 1.426807165 7.619788149 13.19692963 20.49350693 59.95682954 16.14550364 1202.606775 1161.189317 1565.448511 942.4526571 1869.230097 938.4059407 1367.239473 523.7970574 1550.256905 9.593638123 7.539161218 3.798965079 7.665241666 49.84468712 5.808998627 1.729176918 30.47800964 52.29144491 49.97849718 13.49446285 4.117975751 36.1686045 38.89771891 1678.245945 18.19023137 1386.309493 9.223312915 Methyl 5-(1-Propynyl)-2-thiophenepropanoate 6954.413682 6144.780445 4713.498899 4376.263477 5725.263037 3195.120232 3339.728086 5282.240862 3923.270682 1777.329051 1706.508961 505.9006011 1549.248011 429.5096601 708.4880822 413.5588072 618.0984007 668.7226806 9310.283525 6664.667044 5787.04767 7933.450832 8809.642006 732.4492319 6904.166439 9582.774111 3130.170669 451.2356926 652.1220641 1008.79508 1178.561246 763.3380645 465.3606685 1696.99155 658.0643438 1515.678242 6235.613713 5089.978104 5626.077445 2930.101104 7827.490657 9980.95178 879.7213023 8125.490483 13544.59988 137.5625084 2535.048031 3473.984101 6137.089847 3838.122821 764.0230643 3284.207474 950.01483 2427.163091 Discadenine 171.7317863 312.7844742 339.1668372 333.4297908 94.56013415 33.18846879 186.9793474 197.0067814 315.4583925 423.1485439 322.0722478 4.07813e-08 407.3857086 4.07813e-08 170.9624491 4.07813e-08 45.83526574 6.319905289 1181.852222 697.1823171 924.4440498 714.0774434 879.096237 598.4751862 808.587695 1131.611498 1012.651757 484.1930291 425.7449296 4.07813e-08 134.9784051 632.3456681 275.592193 627.5340615 4.07813e-08 83.56751437 378.8995786 610.433267 700.7734449 811.3555109 839.3959945 861.2932456 562.9757804 735.0989735 751.3313476 128.4240345 316.56833 473.4282819 868.023075 857.6659536 690.6712793 567.1254495 240.3042078 364.299037 N4-Acetylsulfadimidine 2571.176491 2043.541417 2425.821367 3041.880046 3612.539403 2191.637731 2831.048666 3397.761725 5095.173313 965.6636727 186.8390054 500.2571394 1275.332337 250.4629912 465.770111 4.07813e-08 169.2888974 2128.773911 7395.945558 7299.775112 6155.155687 5521.923036 7007.951684 5465.087154 6295.485189 3689.798258 4810.648553 250.8157122 731.8638313 199.3501562 221.3782238 554.6718226 435.0319408 600.4516568 128.3154851 268.0711336 4271.777162 4133.630565 4397.169737 5068.250402 6402.802085 7985.566061 4484.914581 2907.480982 8531.333197 5425.099769 4189.653679 4168.681884 4698.881022 4422.012493 2290.586026 5342.058456 432.9780853 3549.410245 Z-Gly-Pro-Leu-Gly-Pro 11489.97311 10647.38127 1509.603576 4003.300528 198.6504139 1440.198488 3178.834345 3298.119459 3890.18214 7.639211669 80.69374882 10.57698432 34.57282336 1.172349605 256.2727984 4.07813e-08 4.07813e-08 615.7021229 5038.225924 262.5607824 255.6277995 3474.567711 52.12170999 1100.285718 535.822878 3651.442563 351.6439371 58.29447356 3.70561963 4.07813e-08 11.54414831 76.31863767 184.4306511 483.351805 169.8096879 4.07813e-08 6055.748824 868.3392571 1057.626133 487.9417485 1264.345963 84.26378285 962.7773866 4219.153212 4.07813e-08 4.07813e-08 796.3320684 1005.835046 1317.806891 3879.401873 4.07813e-08 1234.569202 4.07813e-08 389.3119102 PIRENPERONE 4.07813e-08 1635.733274 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1170.567893 8568.781938 12989.70831 4024.274886 24195.28078 17918.77115 1590.763255 247.8629079 4.07813e-08 197.4482766 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14750.32496 481.4239665 4.07813e-08 227.8747791 4.07813e-08 4194.013802 2507.797658 4.07813e-08 376.835385 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4955.806953 4.07813e-08 3666.391554 14252.83985 1980.784451 823.0260077 105205.4237 9186.817178 N-Methyl-1H-indole-3-propanamide 195.3865509 220.2082564 177.0982232 30.73699505 157.1274951 4.07813e-08 4.07813e-08 30.43915704 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 548.1955917 274.7134267 668.0119663 283.9857331 121.0448736 4.07813e-08 233.7634932 251.4584098 127.5018133 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 495.268642 220.8355683 384.8743002 185.2698284 220.049365 407.9999419 4.07813e-08 208.3757795 203.2435325 143.2638315 25.88001997 246.3708931 385.4307289 945.1457745 4.07813e-08 426.0676927 4.07813e-08 4.07813e-08 PC(6:0/0:0)[U] 1308.594172 2085.155675 1096.206933 1487.503588 1271.762834 1209.540541 2145.869204 2144.474455 3066.545346 476.2570139 401.8697896 458.5265531 221.5531453 119.1467523 222.4025501 110.3730079 492.6921949 334.7182885 699.5126399 697.9335601 1615.093662 962.0622747 951.1337479 685.7294058 1070.17829 505.2297888 1448.05226 633.1191436 867.3143388 109.1076659 613.4454841 536.4311834 565.3908936 113.8888932 103.8200345 315.3063133 761.7901951 704.9637958 1351.592084 1256.215805 773.8092275 807.0778465 381.78564 531.7632202 811.5800032 729.1030874 1740.266728 1356.812762 1561.663344 2947.2918 291.1319222 1072.870194 861.7072277 944.0291195 6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine 1942.849602 2902.799614 1604.190679 2486.11332 2117.6583 1765.630045 2809.654841 4517.664857 2741.456139 1793.57436 2257.928047 1127.946121 1696.878124 710.6413823 615.6196427 669.8076663 2522.721158 1631.731242 5996.066146 6255.8842 5956.193836 4424.650595 6232.2089 6104.772703 5653.877541 6236.39491 6872.637691 657.5128071 630.8738247 1497.909285 445.5058778 1562.892665 653.3698314 2415.452295 930.9767769 86.93168705 4497.831476 3543.411174 2607.457035 5372.284118 5456.913449 5199.952781 4545.826489 5238.042612 9668.658884 2545.782305 2315.222087 2650.752985 3716.840436 4347.792978 900.6044392 3002.658389 1621.181255 4299.929615 (1S,2S,4R,8S)-p-Menthane-1,2,8,9-tetrol 2-glucoside 469.1893355 619.5210233 99.09283502 194.5510091 53.66670679 4.07813e-08 417.2816826 676.221672 758.43495 6724.54502 5514.89091 1139.506541 5651.973064 2520.417337 3150.307282 2227.915931 982.7812582 2886.828592 94.76522476 92.58548629 65.47707644 161.4575891 110.0276684 4.07813e-08 77.48945436 170.4022224 69.78619044 2462.00306 3856.032279 3236.034098 1734.389999 1222.152369 2168.69846 5245.619392 727.5892678 2031.081447 107.3073672 90.9710627 395.9447973 0.016893381 6.311202902 101.0029188 2.415009523 171.6311967 10.05755142 2.048100508 109.8341579 109.8085452 112.7778431 428.18205 4806.083111 456.2670039 3153.379575 4.07813e-08 6-bromo-heneicosa-5E,9Z-dienoic acid 4833.62747 28092.13119 3857.693959 5371.495899 1783.712772 3778.01406 10896.17743 11765.47389 15414.158 141105.8661 127153.6375 101635.2442 144950.1706 90841.57174 100662.0573 77777.54469 76462.19592 115342.3209 1651.473138 1144.469619 2025.264173 1076.003586 1424.129349 1145.761339 1494.811888 4118.24934 1776.158055 89035.32341 109858.0752 95658.44987 86214.01968 99387.13464 88247.38055 95820.5418 59650.27954 89481.1079 3938.077844 1607.839466 2407.199866 1144.358438 854.3328338 1198.26044 1161.169313 5819.380867 1613.186172 1178.233419 2179.437595 3077.001918 6302.176233 25640.6606 120748.2216 5091.767536 89374.16581 6709.17883 Zierin 4.07813e-08 4.07813e-08 18.61844356 270.3595788 60.0242938 69.77755874 74.62775372 4.07813e-08 4.07813e-08 1771.527155 1351.741523 2144.583494 1862.945811 1816.045795 1179.388622 939.5446545 972.0960626 1894.636859 49.25422883 171.1278138 267.6229911 53.59642128 171.8434868 155.6002532 120.3177076 63.4254934 170.9392925 2011.719333 1452.06236 1322.831777 700.0301041 2174.311743 2059.186468 2560.453075 970.566715 1622.317171 49.90917758 59.08560618 4.07813e-08 4.07813e-08 10.05160447 183.3132314 127.1438282 105.5846388 196.9966433 45.22549528 70.26406505 52.01989602 61.69704329 405.0645931 2287.129227 108.6958943 1562.005511 477.4861545 (S)-Lisofylline 9947.009164 7925.857757 6814.740133 6536.416956 9697.916572 8295.457731 8574.241693 7419.060754 5736.958674 3211.827416 3030.831069 1760.285544 2997.260971 1581.189641 3646.912853 1326.968693 872.9332737 2680.418379 9720.227691 13213.72292 10356.4558 9120.154048 12217.95854 8784.187608 10622.95417 9747.470166 10811.30384 1193.397503 1871.119726 1506.036652 1774.16053 2319.648542 1505.438717 2338.680029 1093.990571 2096.524374 7372.825174 9205.91767 8038.207157 9013.938582 9792.995833 12602.15178 9389.064962 8918.942719 9312.815876 12024.35177 8992.612712 9269.493472 6839.273727 10328.52734 1576.690699 8714.347822 2109.12448 5126.974894 Myricanene B 5-[arabinosyl-(1->6)-glucoside] 383.6495921 2364.453192 1295.311841 4.07813e-08 4.07813e-08 494.9615865 1960.270766 746.574321 1709.888755 8261.472788 5483.36776 3353.677208 6928.264731 1936.615301 3558.125953 572.4229228 2992.45347 8344.356644 494.6219717 208.4931052 486.0380568 4.07813e-08 598.4151717 636.0226728 502.2548512 1014.508456 951.4613869 4092.020921 8580.766629 2718.249765 4700.252468 8956.105149 5830.833726 8518.610508 750.885615 2709.633086 221.4164711 4.07813e-08 1252.686898 158.0564499 1029.884529 621.040857 317.8254336 885.7047739 4.07813e-08 719.4964708 4.07813e-08 428.3362966 668.3840234 957.0052681 11190.16661 4.07813e-08 7213.669649 1272.679753 3-(5'-Methylthio)pentylmalic acid 3356.385375 3373.40449 5619.765343 3869.468495 4316.091805 3893.473319 2628.860433 5853.746382 6167.275153 2413.036184 3279.337476 2700.914004 2863.143163 5369.126538 3141.292684 1936.596322 4842.158024 3542.983737 5453.228792 6407.256081 7136.70747 4807.311645 3858.81088 2696.166464 3531.815044 3389.483508 2321.416909 3776.803598 4572.744836 3758.255469 9667.459837 7434.180739 2907.295794 4276.353915 2440.287374 2939.198754 4807.473306 2804.468822 3066.561617 4251.572018 5472.464387 4507.095472 2839.386738 3426.979984 3702.750555 5680.759999 5455.551879 3832.267749 6242.943085 4889.180185 4174.683759 3713.180639 1600.482004 2044.23668 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan 3217.020173 2372.429767 2305.751818 5505.964443 9944.463569 1447.143269 1979.340486 2014.372757 823.6007709 43.59584855 969.2351638 574.9231009 198.041369 784.9023118 360.2661261 1087.040478 3685.112558 828.4845589 3100.743182 3522.811838 3964.453673 8128.724887 7680.9379 1222.363859 5158.558887 2315.354515 2386.131615 288.8244788 431.7603924 1377.827761 176.9119356 1205.528 105.9287024 492.8490077 1159.436477 637.8276669 4596.390127 2190.741122 3083.354638 2654.700906 4719.666593 9205.17635 543.7574142 1902.564183 8064.819502 2177.087849 887.2209445 1255.697101 3687.17988 4613.003146 868.4464202 2810.210052 250.1258988 3265.764721 Coumestrol 2928.812121 4346.542737 3365.445694 4189.402563 4237.392708 3556.934544 3995.821848 4101.362711 4595.340293 4367.477771 4012.098649 4542.415011 4958.488473 4210.764129 4091.646038 4238.813201 3311.484841 5711.643805 3734.581207 3243.755659 3502.413807 3653.154289 2998.248608 3137.415045 3536.882623 3747.927195 4064.432376 3882.03375 4875.169206 4269.407207 4601.878441 4579.934059 4357.30202 4244.424212 3389.155521 5277.889619 3545.010496 2359.184269 3221.49851 3328.080685 2969.84571 3881.447339 3490.096925 3086.355763 3801.958409 3064.990545 3182.805734 3043.605548 3960.823006 4519.916687 4006.276109 3458.683767 4816.146249 3666.860548 1,2-Disinapoylgentiobiose 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3218.036026 3444.758319 3721.007413 2922.333807 4910.685003 3954.246629 1909.590093 2125.331718 5492.142207 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3746.130625 4752.143801 4507.252197 4207.284949 4937.340646 4326.348411 4003.67178 2754.704492 1705.557478 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5821.243571 4.07813e-08 1770.900244 4.07813e-08 Umbelliprenin 912.4550569 891.1377801 4.07813e-08 4.07813e-08 0.062141735 4.07813e-08 1.135093214 1.27242546 163.1693829 2318.942775 1927.378757 1687.993287 2053.461985 571.9465983 2052.116414 1950.170365 10237.81657 0.512791098 4.07813e-08 10.83451368 0.010041726 4.07813e-08 0.931959372 0.523706461 4.07813e-08 4.07813e-08 4.896672111 2157.779238 2677.304337 2371.796588 1456.287358 2628.684741 2828.706959 3252.115676 4848.500035 2.036441603 1074.908556 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1.520190762 0.875959323 1.931014701 4.07813e-08 4.07813e-08 4.07813e-08 353.2926851 0.673680383 4382.622119 245.6129178 2827.710241 0.834369617 Lansine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1037.465934 1513.092428 2038.783257 759.5694683 2399.056423 1172.235672 949.6432253 5572.445226 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1115.87293 1912.097272 11047.13873 2510.091329 4154.407863 3756.004601 1270.576263 6574.723119 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3495.988542 4.07813e-08 1801.904714 4.07813e-08 Apigenin 4'-(2''-feruloylglucuronosyl)-(1->2)-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 8970.9972 6430.797017 4.07813e-08 11444.61382 4.07813e-08 7239.789457 4.07813e-08 14849.25489 17501.79632 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10916.19849 8862.220721 4.07813e-08 10120.13457 9559.227837 2923.281456 10108.20368 323.9293247 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10537.26446 4.07813e-08 12594.30385 4.07813e-08 LY171883 1795.387616 1900.320992 1965.402734 2033.270994 2972.89231 1886.796475 2278.27583 1179.005435 1599.623426 9771.292714 5803.446541 2217.520489 10722.28921 2687.556489 18203.42338 2368.816572 1317.417007 2013.364148 3052.083606 3647.536937 2688.286634 2561.433485 4299.849115 3278.991969 3384.605018 2383.5451 3209.759739 2422.52116 2624.824159 1690.291381 1082.603939 1557.690351 2150.580976 3050.674291 1873.343034 2605.746168 1942.375451 1205.460459 2202.575018 2957.959722 3518.502042 4028.392618 2507.889274 2127.408669 3588.94707 2492.964407 2745.350047 2407.646822 2462.272992 2164.674885 1823.313649 2531.757596 1215.611772 1688.412589 2-hydroxy-3-[3-(4-hydroxy-3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid 914.5718401 215.4513209 712.2203831 755.9853785 1113.908475 717.736707 829.7207766 595.496894 610.3233646 296.6882329 205.5596659 714.0804289 349.8570356 90.21318054 112.3055369 4.07813e-08 97.84068212 239.3604394 2498.329133 1991.582912 1524.747441 1884.238969 2339.116797 1892.920372 1441.59801 722.6341019 829.9116795 478.6195613 663.9927979 284.5783299 451.4382044 713.627256 359.5783303 454.3291644 385.6329709 332.421773 1751.932503 943.1250441 1040.801932 1050.903554 2051.213531 2259.907111 1587.787727 587.4134064 1992.216279 1973.427717 1462.882853 1666.518042 1098.485177 871.2006604 956.0958139 748.9672549 605.2085045 940.8725514 Zanthobisquinolone 791.770947 210.4750091 1156.616261 796.7020975 2134.331316 2563.265083 2015.787018 1027.047464 538.6021205 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 579.8696963 1176.92805 843.0780285 638.0295657 514.2944037 741.7197124 600.6542592 616.7323652 1169.504029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 393.4467246 1292.372292 960.1392522 154.8746121 724.8074114 1075.110002 131.1617074 919.1782697 1159.469284 2038.610369 448.3952283 389.224757 674.8787517 4.07813e-08 4.07813e-08 743.0325028 32.37633617 1418.704533 dCMP 4863.74951 4491.918758 4950.687937 4744.326187 3374.954761 6355.269094 5580.646858 5095.49497 3467.112271 881.4427503 1122.186325 137.0190924 1586.497598 274.2302174 394.0800742 449.3037965 105.0702882 123.2133548 1945.819052 4386.409502 2576.620071 3488.508471 2685.085008 2047.872818 2652.818243 3044.951652 5106.773932 4.07813e-08 206.9523755 105.4458666 97.39648428 4.07813e-08 477.7857484 282.1030584 890.2152758 153.5955917 3013.586253 4402.638256 2974.376398 3734.400708 3757.705338 2048.352343 2343.274399 3618.433991 3766.483503 5482.842549 4043.005283 5223.126152 1623.137968 2015.585591 4.07813e-08 2227.85598 402.4451949 2885.241419 beta-Lactose 1400.869992 820.1856369 1333.217453 1483.558433 2815.196555 1748.926718 2025.91989 1828.690716 3275.895216 86.18561458 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4418.555431 5393.069365 3460.920038 5951.271603 5492.854383 4887.514129 5544.690745 3517.447507 3144.653627 116.8639201 4.07813e-08 96.01430888 4.07813e-08 95.86870321 4.07813e-08 4.07813e-08 4.07813e-08 132.4264088 3438.777977 3255.995842 2339.7631 2980.987227 6534.335821 5495.890953 4536.567269 2636.413159 3996.069289 4777.390933 5235.845587 4310.184314 2548.761942 3546.882344 2508.069589 4101.623752 4.07813e-08 4031.933246 Bismurrayaquinone 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 4.07813e-08 19854.60059 4.07813e-08 4.07813e-08 343.5154166 4.07813e-08 658.1422818 73558.735 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 109857.8695 4.07813e-08 1178.693805 4.07813e-08 64068.58425 29691.4153 4.07813e-08 9863.879913 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 403.3707397 4.07813e-08 23140.46707 4.07813e-08 (10S)-Juvenile hormone III diol 1350.304719 1298.507122 2172.247521 4560.97183 3314.240703 4110.892083 4351.781216 530.044472 1156.581578 72.4257079 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3146.072707 3223.709854 2533.041543 3936.707032 4683.78205 3572.360499 3396.899366 1225.779499 1282.540027 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1573.423065 2699.660381 1964.026705 2907.690291 3995.915835 4554.681951 2853.064811 1562.449136 2265.527288 2663.263316 1812.444123 3058.882632 1403.799259 1160.948847 4.07813e-08 2575.761711 4.07813e-08 1589.268018 Acetylbalchanolide 1953.204789 2687.335009 3396.989165 3774.599186 3370.986996 2800.999909 5183.088844 886.3217313 1485.255307 4.07813e-08 80.76909153 4.07813e-08 4.07813e-08 225.6289584 4.07813e-08 113.0993448 86.41012007 4.07813e-08 5854.475273 7787.402014 6057.897495 7683.436684 10685.8379 6561.457074 7155.618619 3698.252195 4322.979436 91.83799946 87.75425168 361.4218625 4.07813e-08 158.2458109 260.2011314 85.0056319 3402.720662 1376.131199 3190.741099 8020.023142 5032.773292 5193.46467 7626.797182 10060.81914 5461.976372 2562.054237 4885.264626 6926.083011 4465.629974 7218.935412 3162.417542 2608.441869 0.154251737 5663.622517 1149.342834 2634.126071 avocadene acetate 13757.99626 10078.00663 17767.20623 23723.60792 25672.1118 24835.61114 16315.77968 11271.67597 8174.323837 4.07813e-08 366.9503486 721.1605021 109.1856791 1596.922549 104.0247754 245.1330871 475.4180391 265.4414361 19636.42652 17590.51779 14462.87692 16038.35922 22107.93618 20562.00962 15203.16111 14227.01887 18789.58507 4.07813e-08 297.9883691 574.4013222 585.4260319 1186.817834 253.9285514 128.6057901 368.195205 759.3630696 12200.44878 17760.67221 11965.20955 16385.98763 17894.27121 18854.94494 19433.48117 14079.18905 20617.33641 12477.98836 11540.93838 14174.05749 11913.71381 9757.10134 399.5309664 13137.45905 4.07813e-08 14357.57855 1,2-Dioctanoyl-sn-glycerol 1729.194776 687.2461774 3260.004579 838.5352574 1950.509165 3412.066095 2164.157426 1847.648627 2171.900374 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2670.456069 4938.247369 2506.404854 1735.930493 2751.734883 8620.592959 5374.877876 4730.53986 10694.21116 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 949.8828364 4373.564614 2595.085972 4067.615656 2809.961792 2693.150129 10208.10681 4699.973211 4903.226741 5589.752736 2545.431431 2867.785363 2359.600978 789.9741476 4.07813e-08 1771.745305 4.07813e-08 4702.385918 Latanoprost ethyl amide 0.62500103 16.87812756 34.03504976 159.2071238 15.81373545 16.87431729 190.6598248 9.45305118 2.383573664 4.07813e-08 3258.702223 1910.306254 4.07813e-08 68670.68167 11924.31478 10556.49654 44967.26416 523.6502929 213.2346712 97.63172464 183.0169574 195.7075872 42.15399576 436.734912 285.8078833 177.3505808 20.11866853 19953.52595 1878.513427 4.07813e-08 6475.436129 7301.797213 2432.265014 4199.655811 17847.58782 365.2485789 3.589655188 38.19332968 23.4074576 77.69039311 173.2890592 50.79625123 389.0237322 13.89157101 54.83973424 1543.224146 1040.4768 46.06000705 953.768261 17.70550508 5000.462671 528.1129493 375.0347845 9.338930072 inokosterone 5505.062385 15490.27213 11683.99695 16843.36897 12171.69971 12222.97527 25537.31603 11422.06892 10410.11785 1995.573077 2144.251277 16244.60018 2245.476734 17315.15094 28709.74737 3516.42733 44633.32399 38097.58334 7053.439378 13963.20057 12867.91941 21770.31693 14460.42277 16278.3323 24910.47243 5383.638697 6981.102791 20939.22883 1153.880512 805.0573437 2125.578418 142.7405963 3367.231334 494.3819708 10703.67893 3232.69897 7089.783922 17300.5395 10145.57098 29457.93384 19738.07653 14283.65723 11156.33923 5759.20124 10221.47238 43786.87063 16777.46077 15750.87383 12303.82727 7020.178408 7948.556879 6663.466001 157.7672432 8841.050681 6-Gingesulfonic acid 4628.508146 4950.691296 4628.875469 5001.696124 2210.553683 21217.0534 12804.638 4354.803072 5921.379716 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1585.027124 4431.546858 1341.124697 5470.068909 1818.358805 11306.79003 3874.957382 3875.813978 5075.960456 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3166.615421 3300.005554 2098.283147 2218.87932 4750.57479 1537.358759 13648.99662 3601.661658 2970.04297 2313.77228 1963.959929 4392.219112 2634.98986 4029.054608 393.1939909 4285.04543 203.046593 11626.05799 (25S)-5alpha-cholestan-3beta,6alpha,8,15beta,16beta,26-hexol 1720.864459 7871.026879 4404.469741 13377.15256 14465.33038 7613.950706 29793.41031 3965.883027 1992.465023 1498.82058 901.1291543 7804.719868 2608.257545 5201.062626 30060.20658 1236.357584 10897.06185 25339.21189 4492.000889 5767.878992 9732.996281 16190.40089 25308.08765 14044.28777 20195.30935 20229.24427 41254.81127 24814.06336 1014.083419 3717.644314 528.6522893 812.288255 3481.628658 1087.567734 7947.04713 2712.87971 6343.840392 17931.86845 11507.51247 35424.79851 19407.89775 18669.57287 15293.11423 12386.38573 29199.45432 52071.93084 6227.597902 21204.66714 11783.99277 6819.439824 2371.093922 11461.24573 4.07813e-08 16249.62047 Glycerophospho-N-Arachidonoyl Ethanolamine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2625.399478 2242.938579 4.07813e-08 20971.7009 17475.67722 25468.32878 87329.50066 3769.887355 4.07813e-08 20.18465351 4.07813e-08 223.2841263 336.0696506 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12084.50436 247.2470629 182.8710343 563.3795692 1951.412281 815.9646526 886.5041696 11300.57562 250.7469035 4.07813e-08 4.07813e-08 713.8373102 143.0219305 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 177.3232762 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1686.040677 4.07813e-08 179.5813969 4.07813e-08 16alpha-Hydroxydehydroepiandrosterone 6441.402907 4284.230317 5024.604209 12621.94697 6321.88839 7267.538704 8115.806073 4313.26975 5344.335293 625.3294105 1164.636313 734.5726675 882.6558628 562.287956 514.2405902 4.07813e-08 119.3027699 1582.348317 9279.620122 9731.006881 7034.976834 19641.8802 12581.80085 10667.41566 8372.063456 6024.003056 4620.315466 4.07813e-08 720.5116373 950.230569 134.2125252 224.0465565 84.83650409 803.8410983 4.07813e-08 597.512403 5233.161521 8323.286069 7914.971069 5365.673851 19993.17477 11246.62137 9433.007807 3702.214299 7036.216657 7332.001388 9187.167755 11421.37 3958.983153 2365.786609 1288.319899 7885.986554 4.07813e-08 4293.983406 Lysyl-Histidine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 196.9023336 545.7155011 184.7942904 4.07813e-08 668.687986 1581.525807 96.31730792 5583.366077 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1483.978363 124.1482953 2299.322351 733.3669691 278.5652455 198.4852968 4.07813e-08 2050.259658 4410.637005 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1908.830704 4.07813e-08 2319.936875 4.07813e-08 Pitheduloside 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 52273.83478 31818.85774 20638.53801 44135.84752 18544.07139 25046.723 1817.879037 44855.86254 59672.07429 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 21291.81716 52911.73597 25452.69599 44629.46089 65374.76069 31917.97848 42288.49548 14846.23349 14873.33484 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 72160.77055 4.07813e-08 68429.23718 4.07813e-08 Myristoleic Acid methyl ester 5727.316623 4692.339082 4398.863311 4484.808507 2776.273623 5195.212264 4204.597822 1847.031188 2659.707933 643.5138615 456.2998969 697.0955385 1332.862259 173.468703 292.3323451 858.7673538 185.2025235 299.4735057 2919.488686 2272.322846 2842.313282 3200.691067 2907.511151 4070.46173 2134.231857 2177.498957 1498.628167 311.4962144 1360.622509 1069.055964 357.0457004 247.854225 542.7531804 1567.434602 705.5584108 546.9670491 3066.278464 3434.574724 3104.408673 2712.592258 2852.036379 2011.507502 3437.32342 1807.485742 1807.847883 1422.015898 963.5263587 3027.767637 1232.46702 1966.485737 513.3988415 2316.348999 538.4981328 2478.867515 Methandriol dipropionate 8441.004546 7421.284896 9995.667237 5659.990391 7056.542828 8148.210002 6145.597665 6751.030921 5827.467474 4827.351827 3835.36201 8398.700618 4612.752997 39813.18372 54567.66671 10504.31144 55002.34524 33284.6662 2300.691472 2901.779436 3098.826154 4701.866709 3155.095568 2767.815274 4002.126417 989.5545452 475.186656 56970.30373 9448.762879 4.07813e-08 4068.41381 2631.652388 6073.196775 3212.971539 18837.03675 1783.489027 3803.491116 1534.943692 1439.781601 5363.674226 4788.015255 4086.223015 2332.016478 349.1734875 371.5896502 2401.20237 3757.468602 312.1432268 6061.870407 481.7369192 2386.987741 228.150463 197.4701758 1256.891927 Camalexin 2507.430701 7264.525431 689.091001 947.7863391 815.4518097 525.3112345 2473.342479 4895.82952 9315.421073 7690.720047 10868.58342 3844.894718 9957.630703 13023.40202 15873.24672 23502.16309 9563.773013 15856.07304 4.07813e-08 4.07813e-08 373.971397 111.495143 27.04222489 140.6489403 4.07813e-08 4.07813e-08 114.6439376 21902.9822 11406.3632 2859.985628 7646.347572 8772.114425 12002.39746 9699.584875 21108.07068 2658.27069 335.391158 288.2091517 290.5416617 221.9629171 198.9678389 82.40568236 124.5768592 4.07813e-08 135.2532398 4.07813e-08 1249.956414 545.5104579 1069.533205 1727.358535 2914.357394 691.2335428 26459.65964 843.4135538 Tebupirimfos 1294.032879 10091.86353 0.086816878 1093.514037 2189.959236 530.0706323 3159.390462 4802.467278 2305.056738 184771.4288 167150.4137 97324.33197 189571.5054 96579.03935 103218.9219 102501.1708 64262.13397 176798.1111 412.9250933 4.07813e-08 285.1881086 292.6071803 140.5360319 697.0804417 438.6233263 1339.276081 0.931232012 96660.41889 148053.8925 143794.633 117749.0808 147952.7536 90431.1409 77156.88876 59266.1772 144846.2083 323.2210004 0.000645069 544.1933431 926.0550608 9.165410145 759.072009 52.69888806 842.6694232 167.3544143 1.238121961 2439.110038 1274.849896 3340.337646 12842.5382 141722.7432 1015.187477 153836.2793 834.578073 Aziprotryne 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7319.202783 9277.964526 4857.775359 10827.97508 4314.968177 6969.613616 5684.326077 1221.080347 7918.343614 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3574.110976 5963.040881 6762.963374 2354.949271 5760.034759 3375.021662 5632.831731 1655.620936 6711.727823 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4816.114887 4.07813e-08 7751.484625 4.07813e-08 b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose 244.2994587 2019.990519 625.5216765 4.07813e-08 4.07813e-08 465.9351445 654.2867016 694.3556351 4.07813e-08 13860.00498 7488.707877 7301.88714 12406.10209 3992.030963 7478.291337 7599.764546 2143.45707 6211.390534 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 577.1976161 4.07813e-08 4.07813e-08 12681.34355 10624.42466 10599.68859 5672.082534 10147.10377 15498.13355 14757.22334 5770.388785 11163.77937 223.9347019 1242.184673 254.9071731 468.0700974 4.07813e-08 4.07813e-08 4.07813e-08 215.5760329 4.07813e-08 959.6127971 4.07813e-08 4.07813e-08 4.07813e-08 2594.531627 14928.34947 446.5594118 11229.29937 4.07813e-08 3-[3-(Sulfooxy)phenyl]propanoic acid 4.07813e-08 250.7588776 140.7141005 66.66300448 362.0029181 174.6812844 4.07813e-08 4.07813e-08 60.07808554 1386.45633 822.369996 1863.642764 1723.622283 1393.500886 1481.919615 1228.356176 4915.189185 715.091165 4.07813e-08 67.30934336 66.73642511 156.3948379 4.07813e-08 4.07813e-08 120.4660356 4.07813e-08 150.3341149 2069.295415 1536.44548 862.1706698 1665.03108 836.9339882 1308.25556 2089.988332 1586.056105 982.7348257 993.7049833 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 185.5694167 619.4821044 568.3787754 4.07813e-08 527.7736661 4.07813e-08 8-Mercapto-p-menthan-3-one 43.24248347 4.07813e-08 93.29575782 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 32.62643773 4.07813e-08 348.674599 99.37884446 905.9492645 258.3792882 240.6076995 125.5744375 524.9198361 638.6098224 321.7812737 118.0807295 125.2361584 92.77817353 24.88214232 41.80773918 42.91423455 129.1547698 188.5704688 197.8601352 706.3032117 384.1082642 458.6969731 2136.720042 856.6939704 150.7474879 417.3639215 282.5854879 301.8984995 67.62521228 4.07813e-08 29.63757329 61.05985782 99.63617238 111.0542404 4.07813e-08 170.0686624 395.8379306 242.3149174 186.5317159 4.07813e-08 27.07120957 4.07813e-08 175.140484 4.07813e-08 2662.94632 114.6583371 Medicagol 8360.434936 4.07813e-08 8839.513704 7850.091134 1961.200872 7280.395741 4037.783244 1874.025173 5011.204409 3967.009598 4031.251159 761.3489592 2472.680245 3041.9813130000002 3599.608056 4973.617044 6405.58394 229.2483279 11907.1437 3620.89806 14246.05881 12350.70766 13402.83694 13092.5641 9394.169895 4.07813e-08 1360.82769 5842.250934 4340.998659 3211.993356 6130.769475 180.1160981 1421.234459 9105.396483 7262.055129 3309.872461 6564.370249 7916.96681 7096.516034 26030.90394 16708.34543 7102.085205 13162.97237 4.07813e-08 109.3644707 11919.50843 6665.987479 9650.138516 6013.659121 10107.54653 404.9782578 12371.00671 1421.971567 1698.910548 Thiazopyr 4.07813e-08 1695.017118 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.057408269 1678.095042 3828.500158 7774.686108 1325.476693 20271.82649 912.1940269 7667.874772 932.882524 5099.830029 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44.9146359 4.07813e-08 4.07813e-08 4.07813e-08 7581.212629 4463.072191 9257.189331 194.3353194 7488.964781 3248.98649 170.1701471 5197.064529 2445.133518 105.9840977 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.025964127 4.07813e-08 110.7566776 4.07813e-08 3812.479972 4.07813e-08 119.749495 4.07813e-08 Pyrocatechol sulfate 1012.557106 5796.926787 827.9116987 2394.261595 2008.12623 2291.021421 4147.768035 4180.769228 3664.084324 4.07813e-08 1.082095014 40.885295 59.71464775 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50.51948595 4.07813e-08 4.07813e-08 75.25419151 4.07813e-08 0.735998844 105.799473 83.67087116 339.9448074 38.05161596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 337.6134292 512.0133051 1592.174626 4017.759614 680.4965277 1161.97038 673.8317007 2525.643758 11-keto pentadecanoic acid 1179.231883 2158.952071 2097.910356 2604.320993 1375.814431 1397.944004 1359.140578 891.8094849 1325.01615 516.444532 168.8038712 4.07813e-08 4.07813e-08 92.034945 4.07813e-08 4.07813e-08 514.2061084 221.5863972 1576.818317 3760.961202 2145.955561 1609.410541 4553.032177 2908.062169 2943.87147 607.6296558 890.3249443 4.07813e-08 98.97413352 4.07813e-08 116.8990233 91.74087837 4.07813e-08 98.91463273 4.07813e-08 4.07813e-08 1654.486235 2553.861219 1907.336911 1838.414048 1552.802598 3112.10738 2666.844071 1031.417952 1058.826922 2612.114643 1620.415709 2733.865059 1186.128173 1081.798649 4.07813e-08 1471.886233 314.0699888 1635.962151 Nitroglycerine 216497.9688 201403.0954 200205.2625 205860.6539 209527.7784 194930.9196 193069.37 201127.3025 213897.7975 164352.2509 142793.2603 151383.1062 151823.5841 180902.0837 140935.3378 202359.5318 144865.5471 188120.9542 152630.1727 152648.5937 142979.3516 165547.3873 147560.945 148344.7298 158289.0142 173343.2285 158479.2912 139081.2636 167096.2361 160819.1423 196491.2409 151394.408 151420.0936 150641.2629 168079.8896 201495.4626 168077.0532 159474.8612 161934.8296 143086.1781 156936.5736 146054.13 150698.6459 169208.2775 172361.5337 168895.1009 172296.5381 159411.9348 176401.1995 159355.1098 129900.8203 160932.712 176245.903 194029.5851 2,3 or 10-Mercaptopinane 221.8730382 4.07813e-08 1620.35757 4.07813e-08 351.0331659 551.1807621 4.07813e-08 317.0186268 957.1848458 3041.928293 242.2971963 4.07813e-08 1826.526877 4.07813e-08 4.07813e-08 4.07813e-08 168.7647896 4.07813e-08 1326.225698 1608.052129 1270.280695 1300.137974 1003.168478 1321.156242 1521.399114 1010.156312 278.5178559 4.07813e-08 289.7059615 4.07813e-08 331.3380574 4.07813e-08 638.0515027 309.6516875 4.07813e-08 4.07813e-08 434.2830863 1387.113825 1068.879339 277.3956757 739.447636 797.7923729 1351.103352 1629.344963 2333.847926 212.3861667 376.8358254 313.3642546 4.07813e-08 373.0921947 4.07813e-08 544.3539937 583.972087 4.07813e-08 2-Naphthaleneacetic acid, 6-(sulfooxy)- 17959.64547 20111.12733 19744.23425 18909.55418 21301.00191 17109.51987 18103.85452 18879.0632 22324.12176 15929.2717 16791.96723 13197.41583 11063.8189 13789.69624 12538.22331 21553.8662 12251.34419 16923.40576 13047.86708 14757.18353 14449.32483 14881.05667 18546.56036 14369.98238 12282.60609 17915.90181 14216.5879 15668.22287 16296.26682 17295.04627 18024.96319 13853.73139 12066.81657 13570.00287 14474.89029 20937.33291 17699.60947 15869.86985 12083.82675 10860.48154 12532.94018 15226.38477 14012.48013 17527.94259 19636.02507 14475.04691 14526.15068 13773.25372 16242.9624 17333.2592 13203.60088 11568.77738 17040.48583 18515.53088 3-Oxo-5beta-steroid 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7589.232664 2966.83472 321.0199686 4592.189617 4.07813e-08 629.7596422 406.529195 491.4609404 1340.804437 340.8884882 818.6120778 4.07813e-08 116.5501905 4.07813e-08 4.07813e-08 120.0060995 2121.602445 4.07813e-08 4264.927272 3867.401248 425.2955252 6492.619356 2936.556365 251.5969181 1473.785714 3831.482008 1224.407103 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 716.9670296 4.07813e-08 4.07813e-08 973.2497584 4.07813e-08 4.07813e-08 4.07813e-08 1783.544192 4.07813e-08 18348.39606 4.07813e-08 8,11-Heptadecadienal 4.07813e-08 4.07813e-08 4.07813e-08 113.7349896 114.1546543 136.8873412 4.07813e-08 96.68780367 336.0635137 1382.902221 1743.802939 464.0626585 864.0550845 2554.449279 272.4212368 4748.776939 389.600743 834.311461 143.8592418 240.4447982 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 184.3982779 213.9952295 113.1746209 234.3234532 984.4420599 1311.794463 612.1156157 576.9737148 190.1735889 333.1584363 1320.086251 695.6288055 4.07813e-08 4.07813e-08 4.07813e-08 76.17583585 74.96166602 4.07813e-08 213.9548555 281.221644 106.3480647 224.169346 381.9023254 78.84886924 4.07813e-08 4.07813e-08 159.0307679 159.7028212 1884.646348 4.07813e-08 Bentiromide 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7464.829558 5631.097833 3747.26125 8406.661155 2688.617817 3235.533288 1557.799484 2145.822295 7611.621877 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5245.924122 5425.361441 2939.257143 2612.352664 4801.193807 2868.533083 3159.719778 1404.818228 3343.61783 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3972.632483 4.07813e-08 3189.130405 4.07813e-08 trans-3,3',4',5,5',7-Hexahydroxyflavanone 1912.012944 1311.652342 1859.988722 2046.794588 1821.723559 1768.889525 1308.980994 5523.100398 3481.881437 14.85116688 16.79432706 7.365955466 3.267468331 2.40075112 1.465664679 4.07813e-08 0.799379203 4.07813e-08 1323.582807 1352.953511 1750.894365 85.12416581 1255.861552 1128.5305 853.8943182 113.8643681 759.1242983 1.089673309 1.313446546 4.07813e-08 4.07813e-08 4.07813e-08 4.412088976 4.75800951 0.912467546 1.116496657 947.3185201 1255.468598 2319.048629 1940.719249 1540.072317 1010.077629 1910.065651 511.370247 4.07813e-08 2442.160122 907.0839001 2605.828367 2498.476491 2020.263158 53.86885354 2536.730411 3.801089666 2817.974808 4-Sulfocatechol 572.3933629 4339.315031 273.7013021 364.2358219 285.7144684 780.9869887 1524.651557 1029.982035 2118.282787 4.07813e-08 4.07813e-08 26.39870652 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 0.492857393 4.07813e-08 29.77365127 4.07813e-08 4.07813e-08 203.6083442 4.07813e-08 37.22347612 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 196.8814998 1341.120041 3987.837405 2209.106445 427.5289135 2861.195967 2375.087262 1-aminopyrene 8817.789082 6323.260247 7115.38109 5477.267087 4258.919852 6799.446878 7465.655495 10348.88846 10009.84979 4244.402938 3329.512641 2480.806908 4243.202031 2716.756436 4140.955068 2319.184867 5411.245003 5918.099396 13665.53261 11659.84923 11225.16692 11161.29097 11273.83855 7313.308791 10617.12478 7044.283176 10986.83178 5422.161448 4433.609186 3565.824127 4534.746267 5857.405224 3033.464858 6402.923176 3161.280368 3377.058903 9011.148434 8841.684723 9697.803451 10118.19366 12770.24167 13684.90144 7844.483002 7689.040088 13022.61784 8796.415153 7069.012768 10800.33538 9839.130781 7289.575959 6284.597724 10881.48959 3756.621405 10854.37739 Orciprenaline-3-O-sulfate 1461.365207 1793.356248 612.464865 1004.169264 4.07813e-08 272.1135546 2089.790034 515.1795204 195.0601371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40.45706616 4.07813e-08 379.7284598 4.07813e-08 4.07813e-08 326.8838569 4.07813e-08 4.07813e-08 0.025695939 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12209.04933 36.84906442 4.07813e-08 4.07813e-08 132.4121823 326.2661009 39.9109729 4.07813e-08 84.93421963 4.07813e-08 4.07813e-08 1041.139322 1658.836373 4684.227621 101.2961316 47.83504151 4.07813e-08 4.07813e-08 5-Acetyl-4-methylthiazole 359.0846483 447.7154235 183.4110149 102.76472 67.35337152 4.07813e-08 186.2229104 201.7965754 71.93535021 29.46144008 4.07813e-08 20.51931937 4.07813e-08 4.07813e-08 4.07813e-08 46.87189937 4.07813e-08 65.13136314 967.836947 424.2257621 983.3558434 469.4260979 154.4022577 194.5998314 312.3067909 566.7660931 211.2401469 187.229412 19.7880245 57.32844984 4.07813e-08 256.4955056 20.97574685 144.4077089 28.30530015 44.16165921 1036.300696 285.7340381 439.6382479 177.4200388 455.5737125 394.1215978 125.2881136 577.7490474 262.3339588 86.14650051 26.34103039 114.1106372 210.9339864 512.1665216 176.5627503 253.2081026 23.43728105 4.07813e-08 Prulaurasin 519.3447852 1061.693516 447.7719997 980.0711634 153.0019629 71.62008213 220.5904574 282.652959 296.0474286 219.5797459 127.6226265 160.3600903 201.0533596 216.6833993 542.2474125 4.07813e-08 4.07813e-08 241.4380265 221.6947589 346.8813448 562.0804726 460.329051 183.1856361 98.51388403 838.0183406 354.5945253 356.5908095 408.5808678 533.184741 342.7469806 342.3051061 1005.70988 849.0287592 815.384915 4.07813e-08 4.07813e-08 2308.719904 132.8979733 452.5756724 351.7190317 354.9614379 664.8848391 56.76492051 478.2276601 927.3811962 62.6478389 78.12722509 265.2576287 1020.834911 1774.145041 781.1815793 785.865379 48.7334179 728.5721788 Letrozole 2140.528045 1368.993557 1500.466818 910.9210694 1691.758191 895.1288207 808.6642545 1932.534095 1891.606907 183.5628426 201.0348133 86.58617024 44.72326575 0.92847107 171.4896931 191.9024513 437.5522197 37.42063832 1122.829448 1825.809506 2520.278587 4443.102439 2386.265338 953.6283203 2067.808284 2990.047005 946.2177393 243.2389208 4.07813e-08 350.4576944 118.6537058 566.6659453 415.4765956 86.13479005 89.59884824 123.5598397 709.6412951 2604.959579 2503.481567 2535.379651 3988.593529 2817.823237 916.4339197 2256.974698 3258.268038 210.9475184 666.9906107 832.655322 1499.971626 1251.150154 890.1442286 1928.373394 320.1093746 983.8856759 PKOOA-PI 4.07813e-08 3475.779737 317.1762695 4.07813e-08 4.07813e-08 4.07813e-08 1328.239605 985.0142329 3620.096276 23758.84948 24646.38097 21844.05219 20221.83688 7638.00139 22340.4032 10087.68443 5801.786115 18016.32337 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20813.70445 27513.40287 7699.556114 23559.76078 8978.57739 16644.07407 37035.1393 6774.92221 8899.646702 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 881.9513254 5313.371264 25599.43306 358.8697967 22791.13369 515.1138942 7-Aminoclonazepam 2048.946572 819.2060649 1745.888688 2179.35954 1055.273184 2162.063068 1938.237569 1371.61972 805.0559584 1844.481266 984.8295085 1074.448951 1759.555136 1479.700076 952.8955243 69.55371077 311.8209416 1981.555469 6672.200748 2952.373817 3961.385154 3486.271737 5779.183159 4500.627013 3944.331548 6535.848894 10120.44647 1634.192492 2335.79955 200.7507722 1596.724758 1666.769411 859.1862889 3658.431491 198.8747728 1674.820029 6067.015334 2377.726728 3750.386794 2732.228845 3874.012853 5078.590751 4024.582839 6004.786262 10028.51699 1863.264192 1500.749385 3559.795631 4243.329355 3049.398957 3726.735211 2581.709071 1378.024436 6728.174444 PC(0:0/5:0) 286.6340199 370.8140963 190.9798706 474.1521368 540.7776097 376.3121107 1022.293685 701.7714077 4.07813e-08 553.2402315 435.9515548 475.7896249 539.9986642 434.3624392 585.842573 253.2242247 263.1665813 238.918726 1220.186046 1360.725568 198.54985 753.9426989 2368.388234 2307.8499 1780.229845 1345.603176 1835.387326 485.8024898 585.7164575 191.6161598 465.5240479 626.4237669 638.1284589 595.7667055 204.7870827 315.3910714 910.8545258 670.7943604 712.428061 907.7220709 1454.3859 1721.228087 1927.476736 1107.231683 1764.907067 1105.607484 832.9398838 660.9848452 347.9634093 388.2403968 856.0682678 360.8309396 594.6997387 1365.199853 flumethasone pivalate 622.4352237 1938.271551 461.5041283 523.5982581 4.07813e-08 4.07813e-08 858.2331473 164.426338 420.6447875 5485.634724 5575.234416 4259.029753 6663.59507 2940.193956 5110.330242 2310.650257 1253.106649 2437.938949 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 172.9782973 1619.824759 4.07813e-08 4200.863527 5331.80137 2312.794614 3513.180699 1906.219764 3223.713277 4387.519773 1587.767626 2028.832126 1310.068175 4.07813e-08 664.0148807 4.07813e-08 4.07813e-08 121.5425507 4.07813e-08 987.9817397 305.7238827 4.07813e-08 4.07813e-08 361.7614886 307.7756672 2116.474288 4726.39111 286.5788543 3522.792552 4.07813e-08 2,4-dimethylbenzene-1,3,5-triol 574.2667396 484.0625595 770.2484299 391.8436994 758.4485458 667.7568168 383.3844197 516.85419 490.0486341 182.2403702 379.079842 287.3051412 309.3624558 586.368315 708.1045948 233.3148231 96.1351843 493.8081532 1360.998206 1256.218969 879.6318453 1178.256858 1215.627932 1530.530889 1082.533896 1540.218772 1579.503748 421.7510024 632.8710647 239.2804031 260.8689265 433.800914 272.0930612 382.1995342 285.6542988 478.5142149 1040.706147 1071.202752 977.5209041 1237.160125 1215.603742 1169.76665 1385.643362 1605.426065 1266.224879 2069.465912 1100.852098 942.7907846 882.8126816 1049.102369 280.4452028 1069.544159 284.829974 1317.268411 {[1-(4-methoxyphenyl)-4-methyl-3-oxopentyl]oxy}sulfonic acid 634.7812397 487.5289961 485.7775055 934.2762072 1414.949671 700.6999906 1438.633083 1049.176176 840.726704 502.5946006 163.0440112 222.1265602 480.1087034 152.3635401 159.8686918 4.07813e-08 130.3123148 211.8226935 3169.451024 3101.488391 2558.578706 2016.074402 3005.042296 2606.137312 2475.700133 1787.167309 2456.717 426.0015708 456.8248501 193.584201 144.2825962 361.1473632 118.2253687 325.1986195 83.66552431 332.5028965 1920.960509 1691.46025 1855.544885 2450.148732 2360.463253 3197.121278 2061.919545 1625.730448 2772.097069 2901.580833 2415.358906 2121.121703 2007.290492 1634.904595 594.6216271 2392.28448 177.2094844 2290.634646 Isofumonisin B1 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 241.7956435 4.07813e-08 4035.1377 2849.969709 2710.974183 2118.442049 5153.322125 5697.741128 3415.425544 20060.72883 2532.186758 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9000.252774 5324.641094 3182.07224 5018.943568 6837.719432 4187.913931 2981.557702 10051.2603 8658.627978 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3993.665418 4.07813e-08 931.4881068 4.07813e-08 3-Hydroxypromazine glucuronide 874.4114183 1452.385522 1043.887428 1960.554487 3503.927881 2299.555483 1438.234951 400.0009527 552.1887292 576.0299636 444.2246299 417.5193058 76.80449476 354.3397135 85.54821802 203.8204337 349.2799974 796.1659846 3863.950839 3497.069778 8248.718832 6019.192573 27299.28409 10008.563 3322.013344 1588.11365 12428.5443 81.23051248 422.7015916 123.0014057 118.8254589 244.313237 324.0968736 1176.711713 4.07813e-08 167.7104648 254.8893999 5373.086412 4115.792606 18575.85305 8114.402856 8092.225699 15979.30584 2136.24268 4.07813e-08 2050.044523 898.0556202 344.8239262 991.7753131 2918.200874 217.8445072 2253.044422 14.44917699 1372.20159 PA(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4.07813e-08 2093.064077 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 959.8005494 735.5116122 15979.10184 12542.88391 16581.28481 17001.34244 25394.89269 17964.17991 33268.88873 14694.86583 35138.4536 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17153.96973 14792.51567 38357.4071 26081.38483 22463.63108 13206.15157 56639.13916 16492.94022 67269.37179 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 524.4140777 14344.55014 4.07813e-08 1615.546375 4.07813e-08 (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid 1001.196648 244.9767519 781.0866957 916.7792279 993.5627639 716.7360764 696.5636495 423.0644894 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1746.673734 2457.131575 1199.608898 1534.06821 2216.182908 2472.642803 1799.200445 1952.848901 2924.320621 4.07813e-08 4.07813e-08 69.3312507 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 930.156509 1918.725331 1645.316062 1379.522112 2456.045975 2142.463447 2060.600462 2065.712661 3219.53826 1496.390067 950.6144349 1248.870169 785.9070044 507.1361549 4.07813e-08 1001.914605 4.07813e-08 880.8844109 5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside 236.5789817 210.5849294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3290.922779 1964.132289 1344.107991 2578.436309 1061.917608 2396.656088 513.9080167 889.2987002 231.2705371 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2437.701338 3485.989504 931.9034602 2412.830981 3417.350518 1726.615252 3538.897383 1259.782176 671.0973862 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3419.707871 4.07813e-08 2131.156333 4.07813e-08 alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile 161.1482503 205.2228433 433.2637913 592.9090322 670.2351872 501.4723458 259.6449048 219.0433965 57.12172386 4.07813e-08 47.12442691 217.2071984 4.07813e-08 156.3305167 4.07813e-08 216.8014107 4.07813e-08 4.07813e-08 275.8873435 194.5658408 264.2083433 409.8264493 342.2879967 307.81094 318.1326355 431.0140984 452.0976801 54.31201789 4.07813e-08 119.1872573 4.07813e-08 113.0995755 195.6106919 4.07813e-08 218.9306556 107.1649947 319.6868281 278.7820427 281.2241592 289.4276645 449.9200277 290.8874128 331.434896 507.5964851 481.3573074 74.92763199 160.1812543 362.1510972 149.2909807 69.04370675 63.48828807 239.1886239 4.07813e-08 339.6820758 3-(1-Carboxyvinyloxy)anthranilate 5697.387977 5776.72915 5494.392653 5803.437886 5578.592883 4334.134562 4219.00281 4739.923837 4508.700059 2468.479566 2581.359835 2022.726402 2051.474342 2774.63301 1646.724156 2435.958968 1079.201612 2321.602275 5652.760358 5322.856576 5481.670992 5844.058418 5254.594588 3419.486305 5472.590434 6134.033325 5571.206681 1331.893115 2109.80966 1830.032595 2746.156059 1825.008523 1999.89308 1796.772358 2221.325158 3212.331805 6902.176374 3961.694086 5781.498136 3270.088263 6160.49267 6182.225732 3478.788613 5428.526839 9120.182296 3281.456297 3792.689185 4263.278077 5540.493238 5216.34904 1469.460387 4721.047571 2355.47718 4146.694846 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 282.813301 4.032779796 4.07813e-08 1364.511218 5101.319708 470.7946226 770.4844 637.3261456 1654.861519 8418.979445 22135.35185 345.2562818 8.549596669 4.07813e-08 4.07813e-08 4.07813e-08 24.45437618 178.2150956 22.93790969 4.07813e-08 25.39123448 7668.587012 596.295422 8894.26665 4.07813e-08 5889.190685 4616.941632 1190.57325 8451.13889 4031.0661 0.019710079 4.07813e-08 4.07813e-08 4.07813e-08 6.541213709 135.2261939 99.15396584 10.57782238 50.41890371 62.07491358 10.72978231 4.07813e-08 17.65193214 4.07813e-08 2212.089829 4.07813e-08 4887.673403 131.591035 Fenpyroximate 1743.679632 1152.592871 1144.581264 1851.817252 1798.17579 907.6423731 1902.709133 2406.585749 2240.02463 1383.084706 1567.642511 2344.094594 1458.815762 859.1034913 1523.220894 741.9550303 1625.533889 1764.600463 2169.505993 3316.458709 2034.221877 1797.736263 1816.843336 1934.419084 2245.710072 3694.693434 2352.146017 782.1149295 1211.98128 1501.245841 830.7945164 1808.863869 1688.239533 1442.96757 995.775166 1441.030818 1093.350455 2348.227868 1263.031381 1844.787811 2283.127116 2253.010685 1666.590221 3134.113302 3444.162275 2015.831011 2294.636584 1155.679082 1324.408477 2194.556522 25404.38293 1564.725639 15543.90807 1770.270779 {[(1E)-1-(4-methoxyphenyl)pent-1-en-3-yl]oxy}sulfonic acid 287.1219135 519.2079428 252.6524464 310.2289679 441.3063963 302.6890279 462.6096533 133.759301 305.1908369 4.07813e-08 4.07813e-08 84.46805463 4.07813e-08 4.07813e-08 55.35364172 4.07813e-08 4.07813e-08 113.5826841 1660.641039 3259.175797 1958.929649 1226.301201 2290.552251 2252.867359 1826.774476 1970.166642 1560.304347 133.4818466 165.1530705 4.07813e-08 4.07813e-08 199.0005193 115.0039822 224.1764709 4.07813e-08 4.07813e-08 354.688794 2915.431574 1222.883128 1896.249829 2495.07193 1784.455452 1754.548498 1671.313455 3313.302308 778.239144 1472.508764 1176.639999 747.421361 1113.480069 612.7991431 1658.606139 4.07813e-08 1022.368253 Epoxyfumitremorgin C 670.3124843 637.3936655 1413.726012 1382.374196 1441.456214 1372.344987 1359.424642 760.6967853 579.3273055 0.916180888 2.842263041 616.1531514 1.937324406 458.6550931 814.2172942 284.1724315 208.5140315 268.7088984 2993.885464 3050.724743 2031.090927 2163.33218 2865.323304 2545.441664 3026.198059 2318.826338 2409.279424 628.649664 641.9276865 254.3374045 764.6968063 491.6809068 347.1437669 669.7649363 248.3985387 397.2463577 1668.067074 1932.937866 1451.602854 2493.220521 2454.504561 3063.306658 2562.287506 2607.626893 4325.485747 1823.219275 1302.470338 1987.853866 1587.572614 1529.180899 631.9435633 1706.979926 301.261046 1841.818539 S-(3-Methyl-2-butenyl) ethanethioate 143.0977267 111.9994478 246.6633339 34.06060178 39.31801387 147.16352 173.0931594 166.7373191 4.07813e-08 337.415665 146.0827915 38.09918455 237.2488447 4.07813e-08 369.6402326 35.60435054 129.3758522 4.07813e-08 1072.588573 727.1383518 436.2495368 643.9076638 358.074811 1064.33505 928.1291632 930.0559842 968.0262589 545.4724457 673.0812519 4.07813e-08 521.434597 493.9166384 450.9195659 873.5142058 570.5261234 75.34357371 740.7419538 715.3638396 1210.671957 579.8784684 496.6594817 519.7795123 1115.377501 1059.180314 341.9861899 572.4669589 455.5055134 859.3584854 805.6553938 733.303204 620.9011335 965.5104293 406.3294291 838.5499211 alhpa-tocopheronic acid 1097.773105 498.6471794 1378.331879 1847.290916 2413.6822 2052.984569 1910.759448 1344.807196 1417.198139 13.7122087 215.2835459 374.0412439 178.3912315 6.472528978 207.5709184 4.07813e-08 109.1556964 438.4612501 4145.296652 4404.097088 4272.004665 3773.494469 5374.668748 4455.464537 5002.640908 3537.698105 4482.623778 299.7603083 131.5153608 322.6014518 113.7326504 253.4312056 125.4450776 91.52657833 7.8352044 602.9724171 2138.123613 2263.852006 3337.846222 3554.349351 4705.618956 5014.50561 4190.718499 3712.999467 5117.8557 4083.439308 3358.434968 3204.009644 2422.126704 2003.043077 396.67319 3488.393262 699.9763371 3229.428252 Autumnolide 878.2382382 827.8235604 1324.578906 1832.022516 2273.328909 980.9013375 1496.554599 887.4413855 871.4579637 219.1052993 339.4225648 163.1019428 431.2703105 4.07813e-08 4.07813e-08 4.07813e-08 144.8191558 830.9999339 3170.067108 3666.761417 2549.170213 2964.311892 4616.778014 2847.789895 2438.418098 1921.475042 2474.27932 136.2877045 285.5615015 635.9881763 116.7863259 315.9096229 92.46359766 4.07813e-08 4.07813e-08 122.739039 1460.892707 2832.619348 2149.22565 3119.017742 2718.314239 4592.822222 3907.152284 2146.736739 3714.688518 2990.463596 2291.75254 2572.60913 2019.753835 2233.072648 1093.335654 1562.469232 111.1530537 2558.412737 Nadolol 989.7418873 2078.95519 1705.320673 1388.115978 2692.995402 1009.587476 1334.209352 881.5389897 989.3379865 796.8471184 607.9369007 158.4271336 658.3669241 4.07813e-08 365.6916494 4.07813e-08 4.07813e-08 129.9294307 1974.482573 806.879648 2012.11905 1881.282391 855.9259131 265.9167668 927.0568939 2342.214589 271.6539955 385.6719569 730.2350132 4.07813e-08 4.07813e-08 398.4829588 157.7185362 391.6535141 4.07813e-08 300.1322879 2155.925429 1059.266544 1323.342034 794.4311543 1174.808096 5048.51422 243.6775764 1255.485604 1096.353775 105.6000689 824.8679517 817.5938177 1672.35044 1498.256667 1144.394393 1576.007136 616.3115828 706.6340159 8'-Hydroxydihydroergotamine 3020.865511 3716.000253 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2456.64561 9711.35667 3664.956466 43846.56138 11643.79439 20034.8332 36256.20185 45549.70225 64845.19975 4898.429011 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20619.22693 8076.96658 3539.67386 6605.671924 2436.893569 4018.16513 10657.25354 23880.95106 793.0911909 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 120.6324579 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3103.117367 652.8103271 3075.124961 4.07813e-08 18984.82422 668.3315493 2129.131112 4.07813e-08 2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine 4593.690457 1995.141213 5180.669265 7035.212516 16732.45722 9853.376791 5753.489586 6422.515235 2630.272782 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 27505.88782 22109.24428 23672.29378 23549.68917 37321.20898 34261.21603 20337.10417 22257.6384 19936.91178 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3698.535543 14481.43896 8002.774475 28296.2136 27503.38226 24496.24425 28039.27129 22403.7047 19862.11559 8797.029401 8917.347313 8461.090182 7998.148614 4089.176671 4.07813e-08 8792.797005 4.07813e-08 13966.87107 Artonol C 19958.83185 14312.85177 26275.94739 36794.00215 38127.80755 29266.61459 29835.22059 16845.8958 6794.769418 4.07813e-08 6.818548211 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 15156.99823 24196.68242 18736.88657 18027.08544 26586.69693 29176.31004 19263.22338 17002.27584 19030.89769 147.87683379999999 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50.99576999 4.07813e-08 4.07813e-08 4.07813e-08 11640.63251 25635.82623 16828.75494 22394.43558 30040.30253 23142.76308 29504.82406 16346.76789 23456.0532 18012.29334 8438.705379 14169.21813 11138.61905 9453.53825 16.31655415 13572.15131 4.07813e-08 34881.46197 14-carboxy-15,16,17,18,19,20-hexanor-leukotriene E3 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 112.55081 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 599.8405592 1244.382316 1532.738454 1187.860465 862.4775028 1358.060405 1371.008658 5552.920137 2985.422052 4.07813e-08 4.07813e-08 142.1539584 4.07813e-08 4.07813e-08 4.07813e-08 98.79775539 38.68485031 4.07813e-08 715.2284925 491.6617603 2743.094691 633.7600029 1496.906573 862.4542123 1057.207091 950.4681466 4851.352538 4.07813e-08 102.8922666 4.07813e-08 4.07813e-08 177.156757 169.9084306 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1409.160883 4.07813e-08 457.670383 161.3335572 S-Adenosylmethioninamine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13339.16629 7653.729433 18529.77147 8755.089554 10797.52103 12023.90287 8085.87056 7882.988836 22247.97197 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 457.8610215 15091.41801 13749.97069 4798.577161 26078.30394 10222.90746 1495.637063 6876.343623 12568.77259 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 224.7944879 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9610.068496 4.07813e-08 22147.38385 4.07813e-08 Inulicin 491.925028 871.2100539 1224.987937 1744.079834 2299.076686 1492.957441 2088.991244 667.4145456 2039.311988 4.07813e-08 84.66239969 93.74145255 4.07813e-08 4.07813e-08 273.6030785 4.07813e-08 4.07813e-08 4.07813e-08 5108.046341 6039.306396 5436.583623 4925.935337 6965.981967 5781.636592 5639.76761 4135.684636 3331.718595 4.07813e-08 143.7530964 127.8172552 4.07813e-08 4.07813e-08 4.07813e-08 92.24899874 4.07813e-08 4.07813e-08 2326.975669 5170.00095 3987.611566 4265.527988 6091.51102 6840.281839 3493.32532 2809.175238 4296.614956 4185.946683 3378.750708 3925.493424 2529.308335 2413.643784 95.43900827 4620.262766 330.8105068 2751.913027 Oxmetidine 8010.191452 10896.93304 2686.07952 5458.289388 332.6703124 2868.235861 3911.635499 584.5373034 7781.632127 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13.24447125 4.07813e-08 190.1484823 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 497.1759664 4.07813e-08 4.07813e-08 31.05542034 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 76.47011178 4.07813e-08 5521.251768 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1028.712208 467.8007901 3987.211405 1234.467292 21021.22296 1579.982768 1431.462217 4.07813e-08 Eremopetasitenin C3 29397.75943 23216.13199 22436.66565 15723.11711 15767.07638 27072.84177 30157.60516 25789.15967 22644.99123 7851.189494 4712.444561 2434.633629 8567.705605 1051.717496 4281.021094 215.8761254 1610.456904 5879.509041 68932.38295 71430.13446 59670.77022 59583.68008 68486.99452 64128.58181 61612.36352 54042.18796 63433.71162 2985.460097 9781.086358 2129.549787 6051.3283950000005 10221.97769 3633.301228 9864.723904 416.1331365 1051.581807 41415.22004 61835.86659 47061.6175 53564.85681 69150.81244 67845.4001 56346.28259 48002.9605 98132.00648 44788.64924 39574.67966 47777.91627 35248.5932 31545.86015 16426.79694 41800.31583 7397.088617 40287.92548 Hippurin-1 1168.574225 576.8235069 1027.031548 1149.53051 1482.980778 721.0296361 646.9500312 1801.294865 563.2421588 2.571376582 4.07813e-08 251.5404673 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1556.424131 2154.887968 4925.878452 2595.935391 2266.763553 2454.76183 2452.04241 4760.848346 2648.699925 4.07813e-08 642.8520922 4.07813e-08 4.07813e-08 739.7560286 217.4892232 566.5369224 257.8397771 4.07813e-08 1791.851543 1243.939095 3021.829955 1140.490702 2012.014149 3020.00663 2464.604898 4497.467068 2858.373291 2747.260199 2614.356524 3579.837133 2335.430677 3020.799585 1592.803077 3489.960771 263.84805 4365.16399 15-methyl-15S-PGE1 2467.925735 1017.472714 1640.396779 4950.31446 3766.557357 2656.527739 1584.392388 4568.510514 3353.637406 75.31462849 63.83221655 4.07813e-08 4.07813e-08 4.07813e-08 61.60619072 4.07813e-08 4.07813e-08 4.07813e-08 4277.823133 3382.192562 2055.710161 8709.101558 6884.858897 4245.48826 3057.168109 2379.68742 3512.441757 4.07813e-08 60.52673054 4.07813e-08 49.03601604 4.07813e-08 4.07813e-08 188.3412487 4.07813e-08 4.07813e-08 4272.191262 2049.772859 2446.726745 2945.259913 10778.92656 5169.802321 5129.500557 1351.474303 3941.774367 4050.509175 9729.467163 3988.875497 1001.789132 1853.344609 4.07813e-08 2058.36021 4.07813e-08 2289.643147 4'-N-desmethylolanzapine 21185.95678 18355.31984 21373.97115 41973.00594 20989.91049 18064.66068 37548.09236 8815.725204 13885.87872 1460.659353 1066.451392 302.845606 1658.800214 130.4324653 1238.923788 4.07813e-08 219.3550184 1248.889158 26661.50608 41599.56992 25200.84514 34158.37919 34045.05381 29128.36715 36187.66205 20069.50407 19703.75223 1130.112024 2234.073661 630.3390543 2453.895844 3084.785156 611.4110866 3640.232835 4.07813e-08 120.7186699 26553.5397 34137.15855 23314.80551 22198.68918 37586.1517 34530.16529 26806.38785 18893.44626 31096.9638 23351.05061 21294.10326 37182.14629 16439.45705 16294.57725 5802.547922 23774.68354 2837.418087 15955.38414 Isopentyl gentiobioside 18701.76362 10333.6667 9172.207691 10789.68862 7970.892616 8435.891263 15231.91434 10888.11347 11501.43226 1131.228611 533.2172528 745.7110996 2006.817655 1033.025441 1135.665599 496.291846 1519.260399 50.30318669 37092.1753 36795.98966 29490.73017 35011.79279 34866.9887 29701.93302 29103.00623 28051.10109 29828.77286 350.0699631 2136.609826 368.5832542 432.2301414 3814.267926 1166.911531 2089.780413 221.3121658 211.7535281 26088.29123 25895.20508 19240.949 21873.45433 38676.83937 34768.75385 26815.65578 23707.12634 46514.24211 21918.66362 25326.25939 26023.42456 17622.28672 11439.49042 13164.9006 22121.02744 5696.332889 19785.95435 Diplodiatoxin 3018.892027 3846.321151 4373.381231 10400.79829 7334.032233 7375.394086 8387.854704 3815.534046 3908.335323 100.2434318 4.07813e-08 4.07813e-08 420.8235429 4.07813e-08 125.7506878 4.07813e-08 4.07813e-08 4.07813e-08 12008.33234 11442.35842 9368.251825 17512.79055 16220.17346 13359.21141 12302.82741 9407.932472 9934.446163 4.07813e-08 122.9309057 4.07813e-08 92.99679021 4.07813e-08 4.07813e-08 206.812169 4.07813e-08 4.07813e-08 7271.326987 10523.16896 8666.563368 9268.706094 18635.8979 13284.28067 12104.66905 9548.461279 12817.10555 10253.31445 8684.30999 9002.167066 5732.89542 4634.099985 359.2306837 8960.545794 4.07813e-08 7691.811386 4-Carboxy-4'-sulfoazobenzene 41400.0826 41054.42621 40577.4659 39591.02788 46245.37498 39177.30487 39273.02302 39175.72163 39488.1099 32624.4356 28411.86319 29861.29532 31366.74075 34996.17311 26576.32372 36812.51202 31833.52405 35806.0373 29983.95376 30137.27057 29542.51396 32516.10842 30387.3576 30272.61141 30613.62833 31155.58635 33094.2763 31062.60378 30753.99232 29999.84093 37878.37854 29424.69825 31174.77217 28691.44994 32854.91933 41288.49277 34099.19996 31747.77994 32166.67063 27110.54258 30289.11101 29005.40081 30587.8135 33258.20221 34449.65549 32619.86117 34300.22814 32009.73312 33845.56502 32394.03013 26528.81153 31681.42706 35730.00446 37599.03529 15-Lipoxygenase Inhibitor 1 4.07813e-08 93.59497397 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1715.392713 5285.13673 5427.003406 1606.599641 405.7785514 2264.988424 3276.771054 4669.0427 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3510.353319 5993.270015 5033.081136 1160.980239 3276.137002 8534.465161 6110.342572 10498.43686 4.07813e-08 4.07813e-08 0.121694252 4.07813e-08 4.07813e-08 48.28994337 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6665.25729 88.63494321 5520.601454 4.07813e-08 Alkhanin 2356.197955 812.038106 844.1082299 1282.397404 1134.35714 1800.317473 852.6031944 2563.881044 2824.043804 4.07813e-08 251.1152935 568.4043663 4.07813e-08 785.4015945 90.42484864 1504.342864 4.07813e-08 424.9897089 1853.151514 2224.830346 2109.51977 2468.374902 3072.234802 2186.533831 2046.106507 1574.745696 2202.576581 4.07813e-08 579.1133707 203.576092 320.5333016 1985.11546 172.0067388 289.2579895 98.48841024 831.0723417 2586.44504 2076.854298 1902.833442 1986.402766 2451.886815 3061.613574 2048.15815 1933.392546 2251.055891 1998.709216 2450.527471 2684.495415 3275.406855 2871.398798 480.9359789 1740.829178 320.3131713 2581.92046 Nummularine B 4.07813e-08 4.07813e-08 4.07813e-08 2780.972671 1801.984863 4.07813e-08 4.07813e-08 70.05064461 32501.84107 628.7403322 44.35571418 2133.589821 720.7358563 3025.104564 316.5983276 360.2050856 4.07813e-08 10465.5707 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 60.4670738 660.641108 66.3054329 136.4732259 82.39962035 4.07813e-08 4.07813e-08 4.07813e-08 28.18314456 4.07813e-08 2.038807574 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 53.22384189 47.37604265 4.07813e-08 379.1989894 125.1675617 4.07813e-08 49.90965899 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 238.3935053 4.07813e-08 4.07813e-08 KOBUSONE 210.4119383 4.07813e-08 212.0667368 184.970306 235.7868229 900.5526541 743.8709192 4.07813e-08 4.07813e-08 58.86057858 4.07813e-08 60.4968232 131.5303146 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 961.3591235 1055.042375 793.7744266 1110.49753 1140.355453 1509.565148 1091.436216 1292.816852 953.6264899 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 51.85720209 4.07813e-08 311.0925546 1063.670131 1014.006738 901.8457495 907.9625989 1051.740983 1431.679374 1227.310595 1230.06661 963.0932027 1487.134683 1176.75561 1494.515961 1205.414925 1122.957154 569.0380401 1187.323409 101.7641012 1235.863325 N-(17-hydroxy-9,12-octadecadienoyl)-glutamine 11231.24308 6016.655295 2389.147883 3112.532626 2061.44491 2661.932086 6159.194565 14633.2728 11757.21752 3481.399834 4085.468886 2406.050944 2276.89284 6065.4746 3519.250201 958.9851558 1408.937072 7777.042848 1839.371997 1329.185322 2323.124343 3962.840036 2186.749889 1991.12747 3632.895727 2690.047208 3479.609707 883.0622705 1534.273235 1550.992434 1003.534975 1869.307481 1509.552278 1914.828445 3839.260995 1698.258743 6632.893893 9758.917742 4511.359586 3335.587902 3805.004073 3624.331667 3390.578633 2883.365506 3363.733273 1316.545767 1232.529494 3475.440503 5544.705052 8690.281345 2023.624451 2684.737258 1962.834435 2704.536766 (4E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one 1604.079979 827.7766042 1030.762585 811.2666171 1340.46514 2396.875438 3722.246673 631.8653007 2245.316125 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5366.414219 8431.967517 2790.85079 6055.911747 7718.049752 5635.595987 5840.233623 2167.303179 2682.300579 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1958.594217 8401.101873 4315.366983 2824.565745 5840.144244 8695.743253 5107.096469 2449.850481 3610.04502 6104.245765 3560.303758 7226.788711 973.9561892 1360.594601 4.07813e-08 4159.2418 4.07813e-08 2755.289472 20-hydroxyecdysone 10017.83963 16083.09931 20134.34854 23110.35192 16658.67259 19517.48989 17604.85922 18870.13965 15254.32279 5057.475653 8886.014684 37724.68171 5236.947568 40922.83968 56579.46978 19564.02957 92723.09652 72743.43417 11844.07289 22708.65125 16494.92332 23477.99321 21773.85232 20243.26593 20490.31282 6371.240104 7899.359927 38313.443 7163.008382 8771.299146 6676.898613 10428.04025 12432.5476 13292.40528 28240.37524 14158.67624 8551.488428 14720.70188 10644.432 32463.11895 29140.60412 15631.03444 20152.3948 6199.394947 8389.309094 26950.8429 15729.96681 15454.53412 13072.77806 7051.438739 29010.32941 8702.7069 2238.317727 8191.086478 Medicagenic acid 28-O-[b-D-xylosyl-(1->4)-a-L-rhamnosyl-(1->2)-a-L-arabinosyl] ester 4.07813e-08 2422.234553 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3040.225455 574.8721882 4.07813e-08 4151.199274 1854.649219 4.07813e-08 2419.411602 4.07813e-08 923.7304884 4.07813e-08 5453.945993 7350.359522 4.07813e-08 4.07813e-08 2397.787111 5504.744633 4.07813e-08 4.07813e-08 11008.59925 6045.57903 4.07813e-08 3234.893592 3689.649412 4.07813e-08 6301.915748 4320.12749 503.9941345 2287.862452 4.07813e-08 4.07813e-08 61642.80467 2084.335607 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 441.5177038 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1429.147813 2167.185275 5007.138074 4.07813e-08 5159.163081 4.07813e-08 Salidroside 4.07813e-08 4.07813e-08 378.3321334 565.0670178 4.07813e-08 1686.522355 415.5623006 873.6604911 562.8299582 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6294.022294 1853.133976 4681.106969 5806.583977 5122.821398 5397.246369 1522.630928 1900.902044 278.0675811 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 139.3518345 4.07813e-08 4.07813e-08 4995.885532 1158.585655 3090.798607 2736.979641 7338.269687 2796.672123 3937.824615 1114.510345 1623.013481 3570.670094 5776.541845 4997.847775 3147.709849 1280.849994 1382.468282 3930.525244 4.07813e-08 2590.262558 L-Galacturonic acid calcium salt 11190.44108 12020.06008 15310.20434 5586.572386 3884.474689 13757.99903 3177.788062 18119.2482 10263.90341 2907.827223 3221.89626 13267.2463 3157.502024 11764.62384 12032.01926 3358.878591 46477.21586 11995.60098 2998.952905 6253.409617 11540.3033 12965.88187 2420.045114 390.6577792 2258.007834 1292.909347 1821.422158 16491.41316 28244.68414 3404.866309 10217.67899 9952.482429 4099.454477 15531.57388 27827.56608 4751.308777 17938.47415 1806.797902 12847.95271 5918.201633 4235.442362 2821.061409 1460.428279 1949.675854 1644.299462 14366.93703 28224.54409 10858.10431 23646.26065 11598.34572 9239.113891 15203.19454 3694.356387 7870.22699 3-Methyl-5-propyl-2-furanundecanoic acid 8653.680163 6329.422427 7682.954789 8474.551374 9049.966702 9915.348196 9771.66673 3746.020924 6767.108507 3924.101572 1860.759595 4.07813e-08 2649.238591 281.0148008 4.07813e-08 4.07813e-08 375.389169 759.5632853 14555.13932 14479.64423 11527.63315 15311.5729 17430.55788 16526.02058 12312.65281 7300.213481 9279.223441 685.8403613 1281.369152 516.9727381 4348.303777 906.3628383 562.7285057 479.8976658 238.8520289 460.2632566 10371.75285 12994.02627 11366.03176 9886.314147 18553.74376 16158.1295 15080.78536 6991.395052 14245.38383 9897.029334 7262.296402 12805.45333 10049.05563 4541.708084 1216.030424 8484.825953 9383.394541 7950.063245 8-Epixanthatin 919.1134447 115.802828 691.8069935 315.3312502 129.1834058 1134.055455 1618.130415 4.07813e-08 842.6825313 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 892.2244736 88.07619405 177.2140357 617.0717202 1158.869871 1305.276487 175.7220097 973.0700064 1446.298221 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1591.868041 74.43384677 226.7834632 599.8602901 727.863 732.3862232 1344.235261 437.9904228 385.6957451 588.346802 82.37551275 1458.425356 392.0631608 437.3168053 666.2168233 138.9840649 4.07813e-08 479.4210539 19-hydroxy-nonadecanoic acid 3875.194359 3015.023989 6151.085932 9610.422017 8390.533356 5868.143068 3948.768898 1618.573414 1237.711526 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3393.487277 3242.178501 1253.035964 2474.875923 3212.318098 3654.991337 2221.576128 1707.715225 2387.921885 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1897.438903 4138.452649 1924.094166 2274.173864 2563.662536 2587.666562 3546.714287 1288.323628 3023.988255 470.7940386 1599.41279 2999.809743 1168.487578 1234.519136 4.07813e-08 1788.273182 4.07813e-08 2193.127543 Argentine 16363.89321 9570.081638 19204.97057 13398.36868 11071.0788 15585.42558 22951.43526 11656.2173 14243.47163 8056.860391 3174.048923 7629.10269 8649.610779 9116.638572 10367.36253 1122.816899 3869.523673 8480.488739 22428.07165 8355.791797 22676.91587 15656.58355 18713.15914 25193.48505 8498.280722 21306.58742 18954.95934 12419.99767 12660.73798 8307.057414 5548.65892 15659.00344 15845.81906 15921.41381 10625.22478 5453.298699 15649.97183 15437.40347 13678.37109 8454.287518 10544.78546 23271.25555 27806.86251 35878.0089 14721.50734 21809.4271 17210.22534 14738.17105 21341.83472 18948.01673 18555.84211 13367.99998 4984.290985 16964.62117 Hypoxylone 7881.831031 4430.590026 1769.192244 7522.118075 958.5021089 4698.4591 5245.547435 2709.931491 17524.45252 20410.4177 35277.90429 37264.27431 16711.41585 16398.0417 27812.53534 28566.25413 19066.96959 7181.904545 4.07813e-08 4.07813e-08 1144.567872 4.07813e-08 522.0750535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10592.57823 20282.4306 10150.18633 26124.17587 7526.872338 10984.81189 37831.04978 31654.89083 21717.53154 955.0079501 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 476.997093 593.8553316 20232.9887 3785.977004 7552.948786 5135.240066 8954.398567 7918.507487 49211.64788 1363.08762 Flupenthixol sulfoxide 6577.784302 9704.242643 10205.30297 8416.901315 4787.710727 6010.879839 8290.310965 13907.02483 15287.55237 14886.98578 21876.95239 5004.061701 15155.84871 8815.181944 18237.84102 4760.537829 2344.949911 11029.28415 2560.270348 2279.217693 1848.739657 3639.122535 2018.618458 2703.081784 5187.377096 5692.279244 3393.800923 12823.39028 15250.40232 6043.309838 11184.56807 10126.08837 5157.875448 13442.57418 21168.76902 5853.871527 2059.461751 2734.06896 3101.936216 3644.83775 4996.629588 4.07813e-08 878.7081591 6695.950175 811.1552904 3897.458621 1253.53127 1570.633756 1148.741143 4985.311652 5863.302973 3321.930625 42346.14793 4.07813e-08 Asperlicin 120910.819 134949.2832 220798.343 157224.9319 96799.06807 188804.0548 253335.3424 418369.1731 412658.7786 3600.978556 2390.883297 1820.545621 543.6364856 1473.132866 893.893755 4.07813e-08 4.07813e-08 4.07813e-08 84980.44136 62237.39998 67257.59682 49737.80182 24416.50264 86076.43113 110831.2438 24630.22514 89437.64307 4416.446318 934.5555287 2390.994977 3964.725988 2917.09013 1768.94764 3635.921535 3369.374487 3444.65537 32248.29002 88518.92685 110969.826 90860.51491 69043.07384 20125.89736 60659.81457 50629.42607 15504.37466 122382.3466 29503.92567 118755.4987 40123.18883 68947.36291 1998.765248 85610.9165 3016.546498 99789.2642 CMP-N-trimethyl-2-aminoethylphosphonate 5293.962611 10086.0354 31811.14395 40427.71514 69949.09312 123737.7247 27365.79191 14793.44237 19068.86011 148173.7418 47574.02268 74176.33768 90605.24345 107958.5312 128618.3643 102226.0004 62426.95668 14029.44009 4627.021035 6023.12641 3845.876764 4.07813e-08 16011.96257 6213.300776 5503.279994 4.07813e-08 5392.496629 92177.34585 76264.89192 28407.0557 67771.04339 19243.57852 105524.2214 147490.6727 110731.9176 61645.95565 9001.241689 4427.469487 3307.400819 11167.35011 2861.940984 7832.657376 4.07813e-08 1720.744056 4.07813e-08 6331.517736 7282.347824 5137.000816 17328.41307 35967.11206 20223.8735 8156.412449 1622.264501 18009.57926 Phytosulfokine a 5835.748667 57594.7926 4946.195976 20335.86042 1210.554427 4.07813e-08 14404.42345 21972.36087 15705.56428 101073.6093 33994.70755 62286.057 83594.92432 117340.9451 69118.32983 77241.56148 31378.14958 550014.2585 4.07813e-08 4.07813e-08 4.07813e-08 1240.917295 4.07813e-08 4.07813e-08 4.07813e-08 5826.623886 4.07813e-08 6030.877265 54729.69224 112691.6789 80055.25711 82111.88057 112670.0854 101382.3478 76484.27701 182605.2894 1440.500196 4.07813e-08 2186.766104 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12674.96279 4.07813e-08 2549.505328 3925.78813 3660.700639 18113.19223 8715.446518 224270.2988 19368.83198 168112.5537 7057.56443 Frutinone A 13332.40448 9295.837568 11300.2183 7831.422928 10831.46863 12679.74605 10008.49254 10091.29828 11007.7821 5503.480662 3599.835051 1574.817766 4803.854829 3276.091027 3455.58169 903.5350461 1274.676398 2960.206027 16414.2433 11954.81653 14647.33306 11040.33881 15062.08684 14402.23843 13399.62129 15742.08433 15504.82894 3900.382072 4304.849756 2454.19275 3944.728266 3147.091186 3222.111951 6404.330961 2104.909347 1717.258252 11271.57159 11663.66705 11930.58851 12709.47306 13409.27614 15910.17957 13975.68854 15230.418 17862.65722 12003.24975 9718.176197 9688.144759 11869.8276 11075.97451 6687.998115 10051.8335 2669.191039 10307.4349 Trithionic acid 818.3204554 1189.929652 1243.149437 766.4415621 613.0094955 1431.964212 957.4598147 1027.683445 1015.980829 16317.30335 2307.725807 34922.54926 12472.00412 41527.76051 53849.78292 6454.672349 4292.685119 8163.040396 685.4348627 140.5687662 354.7634742 904.0926737 686.9298151 465.7576809 619.3904895 619.0962973 596.6786984 1012.579686 28663.75943 1695.645808 38103.15433 463.2672417 8643.563547 21825.53692 3622.092934 8647.535441 685.3141816 1219.167272 930.0006298 554.8590664 139.2380932 495.7958749 733.0059704 685.6293997 820.7472938 1764.901396 1147.666064 868.248169 573.7317053 460.0784328 4244.876727 482.5396868 385.6480587 1077.74867 Cyclobrassinone 4.07813e-08 154.3580755 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 267.4045626 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46.60718488 59.48589853 58.29442114 160.4972206 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2833.688985 1894.058193 633.3390113 56.04035589 323.5132316 317.6233501 4.07813e-08 4.07813e-08 4.07813e-08 310.3006473 61.13701524 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4082.004396 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 164.3102884 4.07813e-08 724.1534583 4.07813e-08 AS-041164 4.07813e-08 4.07813e-08 814.6423885 813.474499 443.2988287 6666.603094 567.5524794 1744.558399 1069.865236 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 874.5568702 1991.624127 2508.699677 341.1172302 703.8800425 3447.527015 253.9293715 1480.366557 2398.007928 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 846.2139811 1972.292566 2264.821849 1909.866947 351.3290088 2896.262966 1876.743546 142.6705441 5901.246671 1430.358401 2234.929103 1158.719094 705.474012 4.07813e-08 2819.846177 4.07813e-08 2832.025569 11-Oxo-androsterone glucuronide 4.07813e-08 3566.574812 4.07813e-08 160.2999968 4.07813e-08 2241.650373 1925.970268 1422.431783 602.6619258 23862.38463 15780.15729 22949.78361 20733.34035 8661.377091 14084.70699 6650.069411 3840.843031 17695.2992 17.22034451 4.07813e-08 4.07813e-08 4.07813e-08 489.1094595 4082.320464 255.703335 4.07813e-08 4.07813e-08 14237.28926 15634.49547 11947.5341 10943.34307 15139.07905 16211.64951 28449.83652 7225.117942 8806.362759 613.8323243 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 142.3707091 4080.812745 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 100.1275847 971.3670523 7639.321694 20868.71471 1093.242104 15752.45405 4.07813e-08 Phenprocoumon 993.7121447 1073.644568 524.3400746 65.47974876 4.07813e-08 439.5559227 120.4409883 406.9334397 463.1873211 436.6940733 469.1852591 2049.671889 260.849104 353.1481238 1045.709947 73.84929012 903.3461083 2501.018199 2566.138266 2727.940981 2025.478663 1299.953889 1028.973822 3173.970076 708.8623998 1365.497391 1645.525813 1323.131055 2542.767596 321.4242471 3753.424014 941.2493826 751.5614925 3374.679329 852.1186958 1030.420278 2295.918081 5590.26219 1605.082554 1184.816001 606.7467547 1644.673031 1559.396621 1725.616213 1264.272475 3253.725653 5244.155595 3533.072457 3521.160542 3741.478088 4180.25187 2535.625915 872.4946751 2795.91746 thio-p-Toluamide 2068.005805 4922.536978 2336.638429 1174.363715 95.22641971 2267.527955 1870.187754 1695.811037 837.3572646 1213.636548 2367.123424 96.71158564 1847.287008 45.3257794 65.86817951 34.00928309 530.4186874 4.07813e-08 4.07813e-08 4.07813e-08 105.3262315 4.07813e-08 4.07813e-08 4.07813e-08 54.71441145 4.07813e-08 4.07813e-08 25.19073412 35.25474047 633.4073749 223.1954758 57.77574501 271.4768044 1510.303969 283.9776383 4.07813e-08 1843.20934 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50.85250784 4.07813e-08 4.07813e-08 4.07813e-08 116.6395779 133.1036984 2493.876048 5199.45668 7359.273037 787.4343078 1528.640766 764.2632331 347.2486372 Clitidine 1283.589517 1205.59959 2676.276644 2308.940078 2960.885131 1260.018217 1622.074493 755.4713782 672.0609527 277.5791874 75.32075666 667.4659788 195.6393521 128.8331704 4.07813e-08 4.07813e-08 39.01894464 4.07813e-08 7647.614006 8396.082437 7792.725813 7007.171521 11108.43603 9294.443377 8013.252036 8321.234063 8827.561182 343.3999906 494.3800484 209.4561759 252.0069973 969.0136101 276.3298135 808.934975 4.07813e-08 184.4349954 4196.086937 7141.29228 5214.638392 7370.878326 7932.704471 10523.68979 7003.306103 7338.889033 14242.652 5098.365382 4785.979464 5459.155367 5993.905193 4190.821564 1180.353678 5462.448851 566.0380002 6156.266924 1-tetradecanoyl-sn-glycero-3-phosphate 1205.105993 2096.091035 3153.946567 6506.17132 3916.827749 4984.332051 2715.426879 4115.271566 1843.981314 267.0135802 709.5572247 1533.787367 205.0716825 1055.151775 200.6803301 3536.385058 749.3442901 3225.958631 2860.037469 4257.829213 3162.799072 1310.617794 3102.471279 8181.447333 2561.517074 2159.411209 3013.127856 187.8193935 501.9488184 1526.972287 4.07813e-08 1124.849094 400.8175299 4.07813e-08 583.0019987 1634.621931 1907.462553 2982.400744 1330.85159 2900.556271 3114.073062 2215.951177 7618.30823 1914.638634 3179.130968 6873.471825 3637.370702 2818.004467 1286.182951 351.4494535 460.1132894 2114.471001 4.07813e-08 3775.59469 {3-[(1Z)-2-methyl-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid 25906.96311 22278.1224 28330.74138 24940.7499 30086.39016 28638.76171 34065.27245 26838.38103 28101.81164 20333.38066 17754.31615 17437.22652 17351.52158 21416.11391 18631.77762 23350.66137 16593.06699 20734.09708 19499.37444 23102.85911 20517.2768 25497.27161 19898.59755 23721.19648 23858.80598 23578.02722 23045.31346 14066.05323 22184.94238 20487.669 18356.25392 17964.81713 15794.57967 15991.9182 23836.66481 20883.91799 25892.06739 21748.36983 23254.3895 21023.02577 21688.39374 20878.89111 25078.39129 22445.66358 19822.82846 29507.93558 23985.90029 28366.23509 23782.1627 21958.8282 18130.20577 25514.09511 25335.5439 29102.93597 Debrisoquine 171.0241154 1058.797585 2034.563043 4907.244086 5436.528432 2627.484366 1593.622107 4744.205899 338.1669288 3305.159609 6812.261684 17139.61818 2238.733287 10074.95333 20418.09961 183774.5945 90918.84296 34151.39983 2537.806097 2190.283213 3108.351366 993.3018009 1823.693062 3714.187664 994.0566985 18947.00596 1461.049915 16977.83273 2225.096295 13385.72353 4246.360364 2857.649735 7794.319619 3223.701846 91622.94906 18436.72262 397.5397891 820.081951 1091.898484 2227.995664 4776.814732 1511.830076 3894.674601 12141.31645 3196.336795 124.4599806 2980.64447 2078.531052 1176.189385 4.07813e-08 2559.047245 1808.611831 5714.327692 1202.218135 6-keto Testosterone Enanthate 4.07813e-08 5319.622294 12462.55055 7661.43829 13590.66237 29817.39052 17173.32978 12637.40298 12147.1741 104.2965154 4.07813e-08 4.07813e-08 4.07813e-08 319.1362019 271.6323149 135.7384883 126.7118368 450.8504763 20239.85635 14317.4961 20781.45908 12507.70122 18383.6274 13783.29308 12195.12025 3827.214208 1961.357726 4.07813e-08 4.07813e-08 264.9095219 4.07813e-08 227.6042715 56.2997504 4.07813e-08 4.07813e-08 1759.900733 17086.67293 2160.54608 16790.10795 13594.30523 15567.03722 12236.34096 11137.68894 1419.457107 4.07813e-08 53042.91968 29181.52392 23139.78698 12849.5771 5113.553207 5265.062309 24960.34203 4.07813e-08 15992.44333 9-(3-methyl-5-propylfuran-2-yl)-nonanoic acid 3875.766421 3550.258644 3361.037455 3489.230734 3379.456271 3306.047414 3532.117628 974.7263822 2444.932979 5353.170721 5141.534498 2533.242157 5726.353904 2145.18937 4653.10125 2558.979562 2434.246076 2192.501664 2934.089312 3800.715062 3363.597739 4139.265594 2692.001024 1739.300502 3401.628283 3721.741955 3146.1624 1903.865244 3245.351389 2900.094929 1928.153853 3379.696789 2575.976637 2542.446655 1826.179708 3847.661296 3046.213004 4050.773643 2342.057553 2307.758067 2486.09817 4067.489394 2647.87262 3187.625849 3672.693453 2920.337039 2708.667807 2402.140981 2768.888876 1978.854781 4292.456096 3280.932401 3368.956315 2521.277726 3a,17a-Dihydroxy-5b-androstane 4.07813e-08 4.07813e-08 135.5554917 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4553.202466 5541.645 1552.864438 3885.606087 854.4112682 1721.693623 11085.83397 8006.486915 8729.076869 959.4494939 950.6625763 96.49465729 4.07813e-08 4.07813e-08 261.6382327 4.07813e-08 1194.034663 4.07813e-08 1701.830024 2590.358719 4085.903544 3391.642621 2319.13329 4521.076811 2585.308315 4253.769613 4450.715658 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 113.3416882 4.07813e-08 4.07813e-08 174.2981278 4.07813e-08 4.07813e-08 4.07813e-08 342.4699836 4.07813e-08 6068.200748 4.07813e-08 Uridine diphosphate glucuronic acid 8558.715379 8830.872241 4858.634739 7829.474911 6719.140509 7799.746625 5894.0822 13379.76212 6850.380141 11492.56276 10709.61599 11907.13885 11550.1813 10022.95713 6641.621946 12093.22838 3628.852787 7576.230511 4091.815972 6053.77297 4330.283549 6823.481976 3226.54111 7872.569849 6435.719493 8781.257251 7468.753171 8352.050834 7437.735289 8720.258965 7492.527552 6184.330936 8403.494154 5782.776632 7481.853412 11174.56214 7529.213724 3820.154497 5839.952223 7024.20713 6009.108635 8562.634864 4963.668 8717.359545 9439.958103 8250.759232 7460.053883 3650.621152 7036.652493 6752.394321 2646.816522 9360.588135 9390.209924 8421.026818 Arabinoside uridinemonophosphate 141044.4123 138643.3721 143954.6713 150752.538 144449.0653 128263.8567 126360.5584 138276.7696 137707.2371 130850.3262 125574.1491 113621.8238 117215.9584 138182.5019 95902.33032 159687.6563 103123.191 133267.9095 96251.5664 99882.12163 101017.7574 97808.55387 99036.84457 95741.04633 108081.7041 113375.9659 105429.5179 105112.7289 121097.4519 103620.4089 126497.7115 104573.3774 103964.2845 97481.93521 114828.8255 141252.1897 118594.8104 93407.40366 104106.9019 90344.2876 90794.60139 103040.9482 111416.8817 122645.7011 120926.5558 102527.86 113656.1559 99839.54821 114461.4548 103665.6838 90967.71535 106480.4726 133511.4236 135200.9553 5-Trifluoromethyl-2,4-disulfamoylaniline 1106.172637 1038.172069 774.972817 667.8289971 350.6867965 904.6590838 1446.382953 1972.384538 2324.532789 850.7560621 1242.961179 1571.893837 1093.736464 1694.620127 1535.118318 1215.247563 1199.901724 1924.047438 199.3783836 166.7318937 768.6150809 120.8059368 387.8436656 334.456363 823.6401925 223.5402062 263.4239721 2023.81719 1355.811048 1580.606442 2652.22541 1286.355845 1291.773918 818.1410467 1265.164561 1142.738657 902.6659692 764.7020875 530.5163768 576.3400056 337.5956199 129.4380717 289.3377658 170.6998724 190.616467 1602.484767 1266.89602 1042.567634 877.9900818 1160.196907 860.3327133 1075.339606 1566.055787 753.8767123 Calycosin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4593.984899 3587.731053 2182.805252 3866.857317 2532.704295 2600.785272 1826.154776 2756.652231 3938.808011 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2883.323411 3399.286531 3439.231148 2946.008732 4196.585325 2495.46756 3223.348323 1493.199156 2793.57932 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3143.341521 4.07813e-08 3719.584498 4.07813e-08 Helminthosporoside 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 10677.11747 8746.630811 10916.89451 7318.1278 6705.812784 34241.74485 11468.27696 3881.25737 20834.76137 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56556.5952 12623.31032 3626.384843 23901.94262 3062.546386 7419.460586 63791.06647 21831.54312 13769.21377 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3405.745619 11422.15185 4.07813e-08 14461.11791 4.07813e-08 Perphenazine 760.4391279 2569.7005 253.2757472 1378.634235 981.2110306 1335.962544 501.8765364 1251.266368 1512.80323 3576.75184 16920.45541 4636.281751 3758.348033 4145.038538 2898.139737 10565.44739 46549.98544 891.8674231 432.4743761 508.6307999 889.3098564 490.0984993 314.5941266 639.7125934 607.3233843 139.9630626 675.8438695 21013.56216 2826.438048 11423.96441 409.164155 12355.85535 14187.12541 6944.736401 17622.39402 1228.071687 248.9821759 272.3434642 740.5361489 572.7364246 320.2209483 600.9022434 444.5851252 399.4045834 112.0414955 4.07813e-08 2952.64131 949.4148838 3553.542084 16335.58233 1340.096436 1238.809446 7498.265364 1252.710075 {[4-(2,6-dihydroxyphenyl)-2-methylbut-2-en-1-yl]oxy}sulfonic acid 4.07813e-08 227.8043724 630.6785846 1079.224594 1333.636327 391.961835 66.28189579 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 383.0047653 4.07813e-08 480.2370569 4.07813e-08 211.1639939 4.07813e-08 4.07813e-08 468.374921 723.7221559 550.9311962 501.2677056 676.1944413 231.8163677 406.0799547 695.8590402 569.747424 91.82079454 61.21191963 360.5762642 4.07813e-08 125.259917 423.5140545 224.3334375 134.5148083 402.0093442 241.5938797 678.8035122 366.9835522 320.3458842 479.6229235 730.6476901 379.6950746 778.46408 1037.604244 303.3719713 438.8759604 392.4583115 225.9416081 369.6401001 215.9943652 230.8373966 69.77582614 393.2578332 1-dimethylarsinoyl-(3Z,6Z,9Z,12Z,15Z,18Z)-docosahexaene 8246.390334 5464.248523 6746.489986 5684.588157 7460.142635 7934.074254 7780.027653 10555.28326 9981.055311 1723.038576 1758.39158 1129.093269 1695.7518 1140.092555 1496.245393 247.9736651 566.4258833 2394.084616 22751.02322 24784.866 20573.59979 18789.2133 27423.49409 24204.47526 21835.77059 26008.36738 25417.25633 2386.246833 2616.332502 963.5145734 1699.870368 2598.040116 1769.692515 2873.144112 234.1684595 1156.039725 9605.532398 19709.10218 15042.4021 19169.60419 19127.66426 22709.75468 21807.20207 24384.37393 32801.50274 17420.41013 14644.34904 14880.04907 11357.00216 9955.891099 2930.586787 13722.40437 924.7966209 14125.3507 CAY10567 4586.186942 4712.131224 4765.41531 2858.634132 5143.848796 5028.507513 3895.509793 4451.161743 3053.57917 3355.356727 3634.403946 2059.934983 4041.955645 2744.562693 1614.570544 1309.186106 2024.374981 2683.968219 6225.573655 10054.15228 10122.59162 4346.710354 8186.655902 4936.014604 5187.585481 27107.25038 24507.95709 1699.948336 2417.854511 1674.478955 1742.35037 3067.199201 2949.298353 2256.482135 1233.946714 1903.845385 3441.029997 5951.007098 6036.579356 6432.704356 5397.95298 7646.319608 4036.741496 25153.5163 20491.49586 4364.855985 4536.162926 3989.968176 12098.97409 4098.924346 2633.821379 3476.504251 2635.680488 7477.081586 4-hydroxy Nonenal Glutathione 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24591.70882 30215.08221 8088.672828 29781.57102 15555.12903 12892.33422 17888.81054 7609.56315 1732.883855 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7576.025613 10983.1695 15008.30599 8077.74009 2874.781369 15537.91384 60712.02266 12234.75051 21400.17369 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 242.3970326 517.3212022 13134.14942 4.07813e-08 16345.03511 4.07813e-08 2,6R-Dimethyl-2E-octen-1,8-dioic acid 16564.31746 20639.41104 13216.55096 14377.16464 13758.01999 15523.78705 19533.18558 24426.50973 28740.71432 23579.40319 19430.83512 19949.22481 26879.17847 13861.2416 20164.34213 13202.07977 15363.19345 29465.79964 35871.07629 34796.44515 30920.23036 25825.25003 40724.32575 37544.79405 30670.02235 38790.49949 35001.69017 21248.04751 21826.42128 16202.72438 18383.16665 20241.19007 14357.16666 22079.23447 13671.00204 17663.45345 20093.54302 28013.84264 25054.77456 32049.12181 32481.32714 35462.10588 33101.46096 36809.49821 46806.41351 31159.62608 24081.4976 25462.50145 21946.83427 27014.30466 22397.20037 24099.45716 17357.21225 23748.43977 Faropenem sodium 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 73.69777891 4.07813e-08 46.41202141 4.07813e-08 3968.732676 1092.767382 5829.092621 4004.818569 9374.357916 5837.095498 9187.445605 5868.897139 21169.33496 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24.53094468 4.07813e-08 4.07813e-08 4.07813e-08 2998.951067 2465.495006 2669.897935 1832.816053 2461.406649 1176.391976 2229.390994 1463.536322 8498.219812 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5622.200343 4.07813e-08 2003.616252 4.07813e-08 Zileuton O-glucuronide 1094.083856 523.634197 1103.161165 682.7294855 509.7608832 620.8895054 640.0878083 872.9836205 728.0577106 79.61878738 83.04119139 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 97.79106932 4.07813e-08 110.2770713 1132.937605 1264.363122 693.9829605 801.2280505 992.3555421 1292.55434 1055.93626 972.6206686 1360.266117 78.95668983 179.1777319 241.5507388 4.07813e-08 4.07813e-08 4.07813e-08 92.78997012 4.07813e-08 4.07813e-08 884.9947195 1019.592171 758.4293159 801.7899146 1055.639101 1100.135492 900.8966156 602.5706259 1704.676861 689.3393594 830.712404 690.1009198 963.9627026 340.0526995 4.07813e-08 1006.757565 4.07813e-08 1505.916885 N-Trifluoroacetyladriamycin 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7301.645917 3108.693673 2791.372008 6830.609069 2053.423299 4252.83193 1165.054541 4.07813e-08 1746.670297 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10159.45044 8419.838065 1503.415819 7552.347878 3822.937063 5838.845554 9094.994104 3644.569335 2559.437746 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4638.796539 4.07813e-08 3331.689182 4.07813e-08 Ketorolac 12436.59443 8556.527504 7604.247727 7102.600407 3437.616764 6930.189185 8167.231921 6232.580889 5200.178197 10753.39804 5092.181935 2516.126791 11641.34855 3649.275239 1605.244217 2478.201685 1656.580317 1419.311193 8454.580083 11476.94715 5707.35358 6217.994534 5154.323508 6303.792526 6328.561358 2110.368197 2938.780954 670.1378239 3440.268023 1920.341165 1293.315352 3283.992598 3066.866602 2850.521667 1343.43238 1438.147994 4949.195108 8695.369514 5323.083002 5322.621689 7681.875603 6362.51173 6232.436324 1269.790548 13183.77772 5979.861579 6720.880372 6556.559425 4059.94838 2712.64553 1740.049148 6189.273474 1409.061213 7396.016941 alpha-EMTBL 46.60779679 40.99761158 96.01518238 4.07813e-08 48.49918974 4.07813e-08 52.25738464 4.07813e-08 4.07813e-08 25.23644203 40.09665017 4.07813e-08 94.14664518 4.07813e-08 37.27643289 4.07813e-08 4.07813e-08 4.07813e-08 777.2950492 619.7498677 479.7299802 607.4554082 349.4260503 677.0641657 562.1286444 964.199779 731.7674393 287.9822596 298.5551418 4.07813e-08 235.6725977 92.08132691 85.21837705 315.2887623 97.78197792 4.07813e-08 402.7044246 542.7395681 621.4804563 409.9564675 400.3298116 557.3261684 611.2587841 759.1418113 602.7960224 142.8680093 399.4394075 531.645499 492.2733462 262.1420944 182.9429189 523.9182263 172.6036692 382.5977777 TG(14:0/24:0/24:0) 4.07813e-08 474.5173812 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1692.200016 62989.94057 71816.87663 36236.53944 161096.4407 134932.9153 1196.397152 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 68447.94619 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 34201.50098 4.07813e-08 4.07813e-08 1964.649252 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12192.6912 4.07813e-08 2766.992032 16726.32156 11358.67028 4.07813e-08 512191.4348 12677.34943 Allyl thiohexanoate 1892.035547 3063.573262 3589.828361 7088.472735 3883.828184 2480.954032 2482.659678 2539.696722 2115.906957 720.0256272 1215.344816 890.2675563 1085.309623 712.6784406 117.1009071 742.5510025 184.7071666 547.8977494 4560.399781 5439.738506 4497.784689 5547.030511 4806.254737 3978.136452 3443.546676 4302.620774 3349.027284 127.0378918 655.8708832 1636.034817 132.3589791 711.2684365 160.1205949 4.07813e-08 441.241862 677.5300871 3002.389718 3311.869344 2839.941302 3561.099861 5789.245377 4638.009089 3267.398006 2931.049737 6302.283037 3007.598833 2494.63824 4440.604408 1903.951049 1937.768188 342.1137854 3134.798072 710.9794151 3872.222068 3,5,8-Megastigmatrien-7-one 83.2488468 156.4896788 358.6828698 533.4418463 608.9016552 298.4233243 398.1072859 44.57734671 123.2657759 191.5407417 4.07813e-08 4.07813e-08 247.365809 287.6725124 4.07813e-08 4.07813e-08 4.07813e-08 148.9257983 1085.99185 583.6726963 788.6801354 740.5836947 1093.629778 981.0486131 701.6730372 1436.183603 1112.213698 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 131.0345024 826.2252221 601.8689217 556.8898136 1063.780617 801.5393757 1015.155863 1021.050981 1378.464309 1537.025882 1444.010962 1024.122378 820.9046269 980.9922006 1266.773096 506.0608901 815.3731963 45.22727167 837.3234771 Gemeprost 652.5315699 3604.518936 3091.185655 2902.083483 7489.602241 838.3160712 3311.971897 1751.098769 9171.378428 753.2468575 106.3812973 2009.524681 1444.118682 1542.811473 305.4513047 473.0104188 4.07813e-08 3609.123951 1868.097726 4665.042378 1547.559373 2315.580071 947.4747301 1516.000129 2827.323746 3754.828262 2861.205148 179.7678678 784.3380662 152.1060652 24.00519165 4.07813e-08 230.4028144 339.3675596 139.7432875 625.7256969 1158.422268 2448.449406 1339.920224 2226.682598 2216.22922 939.0470487 674.4903646 3207.597186 3192.84091 6147.418398 3846.032245 1896.068291 2659.475321 1371.474044 254.0593722 1513.022764 135.8590174 2079.280419 Prostaglandin A1 ethyl ester 1145.226563 4946.715144 3104.577635 3862.781572 6127.870692 1027.261712 4857.243828 5185.207396 5351.496954 1785.372962 4.07813e-08 758.891041 2806.202224 1516.636491 2354.070476 136.979337 897.9770839 3725.087442 1247.116384 4440.635187 2705.377799 4200.242059 4108.586305 920.95654 4272.849375 9266.914621 5124.7423 4157.601467 282.374233 1346.283584 378.6689645 189.7621887 1622.936387 894.5853746 842.9427954 3013.591453 1352.041396 3051.842708 2828.413493 5438.390529 3424.363168 3449.709716 972.1431787 9173.322491 6583.358734 6177.808506 2725.019163 2273.507844 4359.537797 2352.009557 1294.612573 2822.827561 180.9976453 1641.984727 Icacine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 24343.35666 22987.73547 29529.07642 16956.67224 26043.98471 35679.86528 56833.05991 24512.5318 69606.25922 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8675.372519 14343.3685 35010.52054 20779.8022 33903.02896 12334.00906 42167.71841 10204.11961 47189.50083 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 13956.0053 4.07813e-08 434.9389227 4.07813e-08 (R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin 27050.2995 14952.46877 24176.1306 29882.37712 29950.78654 24208.13586 29404.28067 29245.62936 7941.137586 18.54176541 1.329624014 272.8433202 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 401.3888847 15880.26936 18151.3939 15662.54997 29221.80679 24613.90688 27555.01318 19135.28446 18454.03087 17911.66501 4.07813e-08 7.287908987 4.07813e-08 1.485512687 2.431901481 0.506098935 1.462323505 4.07813e-08 4.07813e-08 13479.45763 22693.56262 14848.21683 18845.54782 27532.06376 18299.49122 24253.66888 14832.39058 22184.92872 39606.45132 8934.964719 12683.08222 11323.31014 7313.995877 1.312130808 10324.62782 34.37560943 30234.03008 Tinyatoxin 34410.7542 64147.34355 7740.384845 2294.304553 2489.38427 2434.699883 542.6422859 15740.47283 66207.69654 158075.3103 131907.2904 129225.2331 154757.3487 170502.8651 136721.4309 185199.6236 108201.4327 177522.2382 546.5566634 358.5906862 494.1680736 1950.995713 2.483892358 767.4337717 211.0852273 723.4401118 207.9155213 144226.8362 158462.5107 30560.59763 192628.6802 95087.42049 67160.3202 133059.9264 199438.3767 138971.9178 2350.476092 1382.81048 467.0167274 473.6227212 4.07813e-08 4.07813e-08 414.5474707 325.8783956 4.07813e-08 1380.466061 144508.9902 23070.41939 91222.07716 11145.42273 177740.9371 31853.72632 78847.90903 57425.34773 Undecanoylcarnitine 5094.036432 1906.453427 4848.796051 1974.557374 3281.905965 1014.810397 4023.269863 2899.246644 1455.260062 654.3709836 2020.004639 3491.499308 1983.044291 2953.436912 3976.183856 2446.099438 1287.795138 654.3740079 2923.986099 2776.306376 1515.823824 3695.988315 2693.652733 3676.839089 2656.409819 5132.04408 3093.61716 2797.444128 706.964314 3170.249835 1386.273006 2448.56532 2403.690586 1602.932833 6447.199967 4410.917335 4692.841374 2629.032976 1432.124393 987.9770557 3300.295324 2027.689102 636.8407205 3013.648617 1180.140595 4697.073025 4147.030898 736.0500798 1052.032519 1894.41342 1039.312607 3561.27499 1892.726161 4.07813e-08 16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol 10608.13205 5407.242433 10428.92052 6724.043174 9025.018257 7561.96442 5294.925942 6821.526207 7097.296593 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 338.9917299 1389.013667 620.5827835 405.4958911 885.1324021 1058.275209 1111.175666 717.7993187 97.50879702 584.2148632 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1214.399125 835.1153109 73.33727006 364.3991462 1161.103622 824.661783 952.0613262 4.07813e-08 514.7440506 424.7894189 829.8687932 4.07813e-08 4.07813e-08 4.07813e-08 0.018425772 4.07813e-08 4.07813e-08 1712.236506 20-hydroxy-PGE2 6.934777386 6.026744928 4.07813e-08 152.6789555 4.07813e-08 4.07813e-08 173.8834904 4.07813e-08 0.286308017 173.6415784 2623.299958 159.4204989 144.7745569 25.61997333 347.0760697 9846.179825 17735.83492 157.0212449 758.9164423 421.7032015 299.8184648 185.605688 183.6190308 388.85761 612.3679802 358.7296994 179.7820541 16822.29348 11.41911893 4234.774376 15.51086866 6924.415237 6490.830456 24.26823617 10270.44439 35.31017464 4.07813e-08 207.005581 4.07813e-08 468.8362995 689.3351035 250.9290237 146.5079534 176.3681216 971.8355625 388.4770024 4.07813e-08 161.5726785 159.3670583 126.8606717 312.7865389 157.9321244 3834.100178 231.0737708 Troxilin B3 9357.829251 7013.132422 10065.7381 13411.50127 13220.75805 10953.33304 8756.429116 13768.53172 8530.368528 2592.194817 3627.874831 4628.767301 2102.053181 3522.336526 1892.659998 17523.38794 10184.13484 4237.18162 13186.14959 12938.45139 11695.22505 14668.20483 15745.48252 16464.3314 11532.31787 12455.97863 11388.81758 2854.683142 2299.677672 5014.865469 1343.174667 2742.360887 1162.879058 1996.924218 9114.645476 3152.157715 9037.607736 13830.4537 11602.95263 13272.03189 13895.06167 14894.86028 15711.22466 10624.81728 15723.67819 10043.12379 9199.012701 12475.01087 8003.875715 5788.821536 1525.826801 10844.6101 1294.895539 10436.66369 WIN 55212-2 41269.16916 31719.03202 30535.85425 32073.84443 21636.87212 30721.86239 33960.60005 17623.31897 14078.786 40983.91886 32552.09036 16149.04648 40096.99905 26481.80465 36814.93967 12764.83658 13383.81421 9123.633545 35592.59731 43213.34377 34222.1263 42686.07956 32213.17296 27994.76696 29833.94318 17766.24114 18033.53173 9909.154631 14974.38484 16566.72257 9461.216575 15157.09086 17856.59194 15545.89934 11883.80745 14851.17146 23931.95963 36029.62737 24543.08401 26930.15828 40142.99977 26496.92489 22829.53857 13781.01023 53590.24896 20181.22665 20260.2738 21176.21738 18699.25825 13579.90873 15137.72037 23959.6909 9856.422649 21460.85253 ecdysone 5928.778087 5290.079744 6056.472656 8806.679686 4270.617755 5395.571194 6944.245628 6997.629076 7727.08074 3067.77753 3052.564594 4822.496243 3051.189334 3541.857188 9145.487786 2360.947168 12934.97027 15618.34973 3870.422315 4518.398648 3518.257872 7497.327296 5437.321077 3827.458054 3801.928308 678.6399812 2987.93346 8176.261461 1366.662966 3002.551851 4.07813e-08 387.9298589 2704.195465 4.07813e-08 2337.809708 2089.628715 3664.22822 6974.343551 2310.127374 8087.250937 6229.987257 3635.425156 3030.63182 410.9403077 2678.897361 5941.549905 5243.502527 2797.078104 1452.26339 1937.919516 1370.922069 1704.808897 4.07813e-08 4230.847451 6-Methoxy-3-(2-thiazolyl)-1H-indole 8582.480162 7083.251666 7206.995128 7151.69057 8154.152061 6701.560401 6627.562114 7276.526018 7595.702973 5957.121522 5456.294695 5751.917085 5452.858732 5583.719941 4885.099121 6479.507555 4425.175876 6819.674092 5958.125225 4405.78058 6922.989406 5107.175639 4512.337345 5294.242316 5190.763178 5640.45983 5373.411148 5101.307403 5655.558925 5858.780349 7490.973432 6060.303862 4790.204164 4097.454381 6367.510659 7372.731868 6183.227145 4622.034062 6715.606183 5785.381834 4903.34322 4634.885283 5155.746413 5540.987249 6516.056436 11691.25481 8007.922322 6131.984456 6771.741559 5243.547825 3938.036767 7210.55597 6354.137388 7056.056254 N-cis-tetradec-9Z-enoyl-L-Homoserine lactone 8189.47222 5842.913054 3742.378222 1266.552541 1277.642226 5447.917342 5669.29998 3864.878461 4000.459894 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3408.004658 2927.058098 797.3288164 1986.500325 2161.48926 2932.163075 2744.626601 2116.500325 2412.643893 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1499.573237 3287.090277 1292.053433 2133.525397 3070.119942 2570.563476 3685.631539 2832.923606 2521.463715 4.07813e-08 455.7420604 3697.390664 2330.651724 2080.479875 4.07813e-08 1897.514701 4.07813e-08 3259.418232 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 621.1192926 1102.169139 544.5655739 738.7709192 1363.716511 1153.13091 1934.944187 1146.223872 569.1388978 672.5630808 146.3849007 5821.069322 1149.460219 9066.521219 9483.706124 1901.542096 8348.395805 12149.31319 1992.091428 2324.532486 1750.408158 1665.346164 2671.337143 2481.084855 1653.537069 1812.391422 1478.30613 2504.735447 1317.808679 667.6329271 714.4055223 807.5490856 1622.558625 1440.473404 2447.270524 644.0866877 446.1114681 1486.869194 878.447612 1960.146802 2789.296021 1754.170605 1680.890384 2238.652163 2940.091409 1190.879109 879.5501523 605.0862325 1040.122379 1200.740874 1593.792253 1082.960493 484.2657686 950.675532 3b,17b-Dihydroxyetiocholane 4603.366913 259.2752941 2803.826078 1348.615044 599.422193 8472.524261 485.480088 1101.889362 460.324859 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1622.735306 90.62562009 464.4421603 2620.551018 878.3907113 5881.066855 22.55357122 117.2419213 738.4892117 4.07813e-08 4.07813e-08 418.4909447 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 238.2585432 7200.855384 319.9258964 745.1896673 207.8217363 1997.907237 124.6194587 4038.398533 280.2585406 4.07813e-08 143.6700406 4.07813e-08 653.4356646 2613.460223 101.3570771 4.07813e-08 205.9351136 365.0706586 1756.900791 2-oxo-nonadecanoic acid 12517.8707 3857.883294 12990.28917 17773.3489 16196.20148 17174.2602 9440.044133 2756.09597 5049.720572 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 12370.39821 7778.729765 4093.470742 9989.016789 5380.638703 8338.998162 3051.314492 1396.128707 3553.932675 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5562.470316 8746.62824 6310.570541 3293.487022 8922.79973 6804.200433 7797.060392 926.66667 2327.192501 2145.297041 5289.148014 8436.956868 4160.877758 1770.336785 4.07813e-08 8267.428264 4.07813e-08 5409.107838 Tumonoic Acid A 3967.045976 3443.241607 2203.5493 1690.650238 736.1939883 2670.821667 2296.463293 1951.523999 2053.260026 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1804.852551 1805.228766 1215.86171 1579.234403 843.6798895 1741.362503 722.8643756 1462.107072 1009.264411 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1092.960541 1425.757963 1410.701359 1104.274032 1575.954665 695.7628069 1947.658382 648.6190985 1086.373194 784.6312535 372.5960069 2092.525524 1057.167103 1425.978799 4.07813e-08 1568.311779 4.07813e-08 1955.845219 Ustilagic acid 4.07813e-08 1715.407504 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 387.3443838 4.07813e-08 65344.94887 58618.89535 89870.3592 62128.91106 68048.2821 40466.86418 32344.58646 31992.29506 53220.66746 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 33065.50298 57607.47761 76542.98937 46948.5007 73797.63521 66692.76178 54014.54559 43957.82308 57408.03889 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 354.4739572 65770.79466 4.07813e-08 56714.74591 443.1296977 Pregn-4-en-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,6a)- 3336.648424 5222.893993 13321.69089 18216.79254 16907.17905 25467.10158 14074.92923 12812.59164 7953.690688 205.6101757 4.07813e-08 164.1142158 4.07813e-08 723.4385682 849.1078282 4.07813e-08 4.07813e-08 966.0908333 2895.408819 15993.22037 6713.895729 9581.714023 7510.958994 15296.73594 9895.818159 6918.929567 3831.144959 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3617.013679 6163.72477 4083.655521 11927.66741 8983.919582 5372.446597 17891.37015 5213.484247 1904.769519 7077.518516 12275.45636 5729.114291 6292.690174 2134.580745 2978.582785 5048.866858 370.7266849 20645.0306 ML-236C 5609.312067 7432.655855 3556.145982 3166.427181 3978.267355 5161.988437 7538.880051 3907.480376 8779.851761 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3732.609802 3503.234147 5814.798605 7184.695448 4638.314803 2399.868162 4411.644915 603.6176543 588.7960201 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1547.499688 7442.077544 5682.061285 6389.218489 4043.655225 6662.930731 5738.809732 2244.05961 147.1272939 766.5515979 2284.32538 3264.817424 8708.957058 4367.379878 5720.612763 4.07813e-08 6145.035608 4.07813e-08 3454.375246 (+/-)-5-HEPE 332.1259344 4.07813e-08 4.07813e-08 882.7437995 4.07813e-08 239.8376173 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1295.337255 6085.1000540000005 559.4669244 5648.715074 4482.012983 796.5278647 461.4676476 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 120.9486032 8901.012572 479.0142464 985.1263962 7060.392548 2586.896168 1448.288372 4.07813e-08 4.07813e-08 4322.463978 3546.399807 5846.782283 198.6464657 4.07813e-08 4.07813e-08 1840.663117 4.07813e-08 4.07813e-08 (2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 4009.829378 5877.827033 2816.672659 1460.298232 4814.063232 1133.276912 1697.606931 2927.474228 3115.510118 17390.50693 10003.8203 102153.7543 16399.99927 72039.43007 84597.80755 54386.56288 67258.76532 76573.74356 656.169289 1133.953142 601.2729099 8639.059973 602.4339133 4.07813e-08 1559.579584 748.3497439 1096.799113 64142.69342 116823.5564 38644.47253 80662.62565 85099.10891 43970.48101 77988.52222 78420.08034 94490.49771 11200.04852 4.07813e-08 4.07813e-08 4.07813e-08 5287.151945 2790.357208 4.07813e-08 4.07813e-08 2460.213433 1839.283343 3494.871575 3044.622082 10818.4207 11942.90322 105380.8332 1665.702731 36320.24708 4159.321741 PC(0:0/2:0)[U] 856.0447195 1021.750412 925.7483915 489.1322822 4.07813e-08 454.8110615 629.741587 653.4705967 571.3094767 2940.551442 2254.3505 648.0255779 1333.537854 1023.379373 1188.130178 456.3277718 452.9702419 2680.133633 1138.530768 679.7224774 773.7644153 1028.403004 1206.89133 1359.127086 1656.268289 1887.459686 1787.537417 1470.929078 1913.300011 1789.752793 1217.333935 1775.94882 1570.241033 143.6230204 397.0071295 583.4115418 588.7581025 702.8245522 1262.641482 1401.457104 881.508638 891.5373691 1173.198421 2378.746344 2481.602351 2529.622519 969.5672448 1005.236 542.6607111 959.2150044 1942.167919 1232.378428 1535.175896 1118.218422 Chromotropic 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 3079.716701 534.5724124 11149.52445 2764.327931 13164.76905 4325.293298 6990.332894 2490.766288 465.1629463 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2676.471431 6025.552341 7457.366488 4418.569732 5005.404199 16289.92739 5700.530138 9077.470534 10596.33845 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 47.62544717 4.07813e-08 4.07813e-08 4.07813e-08 6528.06178 4.07813e-08 432.8945033 4.07813e-08 Sulfotep 4229.919492 4275.48553 3039.305759 2635.646975 2252.540638 3265.79022 3826.974349 5579.50414 6031.237184 3621.259369 2653.394666 3569.307701 3257.948431 4070.113447 3296.730213 4030.673114 3250.415412 4824.068828 1333.039553 1326.265273 1703.688331 712.1833804 1752.329649 1716.325087 2758.015478 2302.186645 1691.054138 3871.121695 3814.964958 3526.196405 6920.548422 3544.205245 3406.148846 2851.490533 4335.760317 3561.819527 3097.746394 2344.430802 2131.940173 2303.466131 1715.046443 1135.754774 2355.011814 2449.183654 1290.793617 2986.870166 3900.164628 3882.681902 2762.934885 3370.285353 2297.093059 2889.365246 5096.735115 3149.298669 Azimsulfuron 3432.799763 2616.200957 1002.008789 1500.152199 375.7980636 1216.066744 2667.805881 4615.775048 6952.067456 1940.426032 1941.353931 3706.838895 1914.522808 2660.616437 2584.586248 2538.515874 3553.19314 4659.980809 300.1858013 108.5294067 943.3208836 4.07813e-08 402.5226309 746.1306158 1911.53639 784.4805819 324.0153179 4422.232141 2773.11347 2762.793208 6588.43837 2413.867476 3028.724195 1985.103076 4020.871368 2761.85801 2449.247688 726.3003349 684.0851098 1206.591068 407.0442013 238.6583617 1421.257658 742.7683523 269.656021 2208.218569 3283.250219 2156.647053 1971.627599 2574.368151 1637.922215 2672.198172 4899.068097 1789.254022 DL-Homocystine 4.07813e-08 277.4844526 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3159.855556 2845.346924 4079.094981 3019.294688 944.4059559 3716.259119 3509.409638 1139.437883 86.56554273 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3892.923028 2091.039764 86.24458729 1236.037403 131.2745469 1149.176779 3133.547222 6423.490879 1727.610152 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 259.5151944 4.07813e-08 240.7961919 4.07813e-08 3,3'-Dimethoxybenzidine 4.07813e-08 4.07813e-08 764.2411958 280.9742406 4.07813e-08 4331.543074 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3444.851659 5346.591071 3594.458396 4008.914939 7548.882712 12025.91737 5686.259677 4.07813e-08 558.7570931 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 288.6105852 2238.934736 1357.098358 5223.390051 5268.375372 6351.787261 7743.46665 492.370956 1905.046435 7180.461428 1666.149582 5074.189005 4.07813e-08 543.0560224 494.2146715 1834.343956 4.07813e-08 1812.904854 1-(Methylsulfinyl)propyl 1-propenyl disulfide 101906.2374 109641.1209 114173.0064 108158.983 115320.6999 119798.9816 111365.9012 107548.0078 114087.5053 84606.33031 80273.5753 86930.82928 80674.25201 99306.10666 77729.14476 107588.215 81244.84632 104103.7665 84710.62104 90500.22174 82461.84078 95494.63869 88339.79703 94446.46735 86073.79045 96611.72435 88382.47387 80495.43132 93071.55613 86664.33366 107611.5863 78420.49553 83243.03124 83923.71334 95894.53068 107739.3776 95403.90454 85708.58109 93816.80928 83321.03743 90111.93508 83064.90838 101782.3609 96795.97943 90520.65408 115537.7122 106010.4639 101206.9992 94059.60399 93752.06124 77109.58014 99569.54425 92105.37643 114277.0233 12-HEPE 4.07813e-08 213.5283616 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 166.1613915 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 566.724953 4928.853179 4.07813e-08 3783.506498 3233.501599 1098.254762 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4326.011664 864.0048833 1156.793394 4176.495332 2784.882354 1102.540116 4.07813e-08 4.07813e-08 2649.135699 2879.666822 2728.190836 4.07813e-08 4.07813e-08 4.07813e-08 1252.8758 4.07813e-08 4.07813e-08 Octadecanoic acid, 2-mercapto-; alpha-Mercaptostearic acid 1295.862764 6848.281811 11640.58754 2052.139267 1594.515731 19315.88003 8694.011601 5501.352315 6640.364006 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8643.886989 9488.992265 2984.251399 2227.862305 3710.427279 32287.26615 3754.700008 7600.758702 10552.32303 4.07813e-08 4.07813e-08 397.0589563 334.0679808 4.07813e-08 4.07813e-08 291.6377007 4.07813e-08 4.07813e-08 2200.670848 6190.968103 3244.103634 2274.437438 4799.736124 1412.741939 33072.99675 7084.72344 16176.39439 18580.44611 15808.65372 6860.709582 3083.572154 1774.691789 358.0354911 2449.458202 4.07813e-08 14088.11118 14-methyl-8-hexadecen-1-ol 4357.069125 5679.275418 4199.979985 4574.358977 5921.707249 5255.771514 6065.301809 4294.828509 4557.384165 3004.941304 3012.580094 4313.90408 4159.930847 6564.546592 4253.227091 6639.017969 3241.837961 4277.428534 2180.262433 3447.663228 2906.554896 5085.428408 3662.649886 4087.360707 3617.317653 3096.731903 3522.887149 2492.573194 4842.203947 6244.589796 7855.478314 4206.722622 5024.224509 3265.457088 4880.144914 4164.408423 4106.290939 4042.406307 4437.968039 3242.074253 4295.40776 4267.621149 4167.102013 2804.770774 3800.767518 6389.484686 5042.917342 4045.033454 3998.488874 4084.075833 4046.092767 2539.130762 4011.727205 4071.155115 Zonisamide 2404.120615 1770.250199 2372.482457 2415.065144 1487.90516 1487.534931 1688.423472 798.9120698 1712.597486 1739.368148 1970.632408 723.8914524 1926.044804 1247.704732 1096.430764 1747.855234 1157.103395 1386.036057 1707.068185 1299.165963 1270.731683 1783.870038 765.8200102 1121.987363 1484.956906 1764.2201 1332.920812 1494.861188 690.5034737 982.8967518 1517.269123 2012.889801 1299.430921 1718.636658 1159.100713 1698.33134 1486.37853 1248.102887 1012.486532 1888.630427 1841.718367 1289.53276 1579.482562 2069.212668 1280.671356 2151.169776 1191.015439 1628.849425 1293.692543 1204.882164 1460.64855 1815.446229 1458.057258 1636.478485 3-Oxooctanoic acid glycerides 3269.572763 4827.131588 2398.351659 3674.325459 1398.320542 1900.546096 4207.849859 4275.885582 1906.298624 157.00115 290.4203818 198.395635 116.8069917 4.07813e-08 404.4890127 81.40975633 299.219846 136.9445032 109.2591401 108.0752231 1693.23608 141.7001329 579.2541495 369.1902413 712.0511622 179.8022909 595.7617714 117.5560034 225.5557647 4.07813e-08 78.93834011 57.03384115 85.47541814 217.577112 4.07813e-08 136.5518339 1592.314991 1317.950857 1778.233486 1682.420561 481.4805355 151.2798389 578.2953294 4.07813e-08 490.5799997 66.80934554 603.4562886 343.2358425 2161.008468 5848.359651 112.331633 352.0018473 94.89228681 74.48040709 3-Hydroxynorpromazine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3322.255126 2481.873276 1199.812299 3219.335883 1803.962923 1790.590947 1213.44983 1713.976844 2485.680985 143.7545704 174.9696105 4.07813e-08 4.07813e-08 86.37836188 81.05431481 4.07813e-08 46.77004728 40.90868253 2242.843868 1724.982973 2161.267109 1519.979438 2382.386533 1584.420809 2393.264791 1364.211038 2068.336079 4.07813e-08 4.07813e-08 4.07813e-08 164.4856219 39.63905922 40.30411907 80.58434317 4.07813e-08 170.3711743 4.07813e-08 4.07813e-08 40.200587 4.07813e-08 4.07813e-08 2039.071729 4.07813e-08 2368.641005 4.07813e-08 Octamethyltrisiloxane 4488.801111 2514.043878 4022.811573 3010.211619 5282.902746 3401.233686 3267.585368 4990.789155 2873.106513 2317.937327 1347.746682 2229.092105 2927.072221 1431.647515 3740.432932 338.1644753 1492.153177 1155.491589 5723.170382 3775.968963 6389.262411 5475.295327 8723.253169 4521.964769 7392.785741 4886.834402 8131.387246 6166.084233 5180.001014 1526.767221 3358.899442 6297.233623 3762.391649 6054.389202 1244.162154 1647.828154 3525.759789 5024.01446 5580.219565 7507.704411 5349.890829 8985.92024 3391.432177 7002.402636 4787.36177 3324.010806 1766.10435 4762.619527 5867.631739 6027.817627 8530.508405 5510.612593 4079.022445 4461.120972 3'-Hydroxytrimethoprim 5892.301876 7457.494159 6932.486927 6118.010333 8116.391485 6519.911544 7013.380293 4774.545491 5805.621877 1308.80999 1295.822928 1075.6184 1967.176082 1005.328854 1384.200257 358.908549 339.8120962 1229.003112 11310.5528 11768.887 12602.90671 10629.9764 15582.17967 11537.16072 13428.05691 11176.35619 11971.49196 1738.046726 1751.38544 960.6304146 1359.074703 1519.697948 1468.446144 1779.641311 850.4940802 1384.273405 6720.55097 9933.964826 8965.108278 11680.51293 12675.74578 12862.09129 10724.31904 11639.29743 13238.61647 12698.26187 10186.83599 10711.50496 7668.261094 8338.132746 2769.521062 11718.71926 1825.835424 7845.593232 3-Aminobenzoic acid 954.4672387 1112.738723 1384.876933 2739.186313 2739.210485 1536.979354 1675.64638 376.1475099 532.7329807 571.6705208 646.4292598 1591.943827 407.3150917 876.7002066 503.5289314 907.6553113 4.07813e-08 681.7566382 1762.004753 1258.328274 1652.683455 1299.988352 2149.713987 1255.931112 2055.940999 1471.196922 2117.764457 371.0984365 352.9781184 952.8513546 260.6523436 922.4706394 1043.029477 546.7797226 254.941446 1162.841737 2200.43162 1178.38989 1043.34317 1914.2281 1094.583036 1825.56862 1432.168334 1630.258725 1256.693858 1452.447438 1336.571503 1781.02775 2143.435774 2209.858497 885.5891667 1675.099901 1681.014423 1532.403983 RCS-4 N-(4-hydroxypentyl) metabolite 2506.475807 2763.410857 1214.920434 2510.950757 2920.079549 2459.943667 2997.484929 3658.299577 4063.161549 246.5742069 4.07813e-08 4.07813e-08 229.3272086 56.57143165 4.07813e-08 4.07813e-08 87.42722638 22.05239087 954.2522266 899.43637 942.2952015 325.6758675 330.690205 1007.811879 559.2977194 302.55147 645.1837405 175.4202897 4.07813e-08 4.07813e-08 4.07813e-08 20.03412573 63.49104332 4.07813e-08 4.07813e-08 22.1453899 941.1595841 1499.543202 2053.80866 1093.800372 583.2931466 271.1530727 614.8805717 239.4345423 150.0505605 584.2129372 1601.729633 782.5154723 1815.815971 4036.643428 20.0968027 1440.239622 4.07813e-08 578.837665 4-(Dimethylamino)phenylazoxybenzene 974.3124924 567.7352646 836.2474884 517.9124935 548.3105972 907.489929 530.6965712 1434.520506 1262.562401 409.8833439 185.2250196 63.34201726 379.1954848 144.6571734 165.8124803 4.07813e-08 187.7015281 478.9137199 1674.000773 1755.540584 1239.774447 1482.983635 1730.435868 1822.774959 1499.877255 2070.161465 2079.15428 176.7582447 270.7423805 4.07813e-08 195.9092313 295.4230978 124.3209969 101.8317776 108.9207402 72.31238028 872.8639215 1446.614666 1147.660458 1770.289949 1744.665101 1503.544684 1409.840137 1752.053937 2225.84281 525.1483771 946.6930711 1176.410166 880.5857625 666.5088565 408.1882826 1174.223478 111.8916495 1297.129234 Heterodendrin 1554.122132 2305.511351 2137.302751 2872.616962 1939.443947 1957.307725 2207.024237 1661.895777 1349.70229 3344.91102 3155.729744 2912.641996 4025.242944 2424.212088 2952.795631 1477.95534 2709.959322 3081.021405 4081.231335 3265.894733 2531.045384 2688.335888 3102.603416 3509.614894 3220.463376 3859.10209 3905.144586 3368.172331 3356.332938 2559.38823 2670.602318 3675.691993 3873.896065 4053.045429 1804.609957 2747.85189 3933.525431 2878.044959 2950.284825 3004.572439 2572.986194 3725.557333 3074.416532 3769.011681 3760.938819 3003.344468 2096.662612 2448.773836 2421.822083 3205.039196 4035.229566 2834.528241 2785.501945 2492.978958 Bisphenol A dimethacrylate 1378.31712 1021.586224 637.4979015 1086.814495 774.6691923 796.3694087 1371.054178 336.3337261 944.2888061 985.6637307 1713.029263 837.2027217 1683.957877 85.23274411 600.8482331 514.4539374 348.8644585 85.63655547 1592.030074 2842.024838 3639.982658 5300.60508 2158.822046 1524.817885 1202.995853 2443.316572 2179.666068 397.4605429 155.9517975 1011.804138 148.7482744 584.2514136 410.5090827 2022.631335 4.07813e-08 176.0884656 940.3070731 1104.865486 1141.809113 3646.948854 2036.438 1514.947798 431.7657702 1962.205828 912.218581 255.7576749 717.0464074 967.1513573 652.8218065 1657.471678 633.4713855 1317.413369 1625.20677 278.7103006 Acetyllycopsamine 135.873508 933.9372429 151.8729133 1426.498031 519.1643948 4.07813e-08 423.230986 368.1325909 109.8329451 1439.230065 2486.558501 1947.383986 1440.885756 1603.269861 1882.072473 1343.25478 2216.088809 3843.135051 184.4090271 156.4455175 937.2929079 888.2086612 1347.342804 4.07813e-08 141.0467073 328.8408232 181.0102412 1636.554649 3226.960141 2979.387663 2790.837333 2569.666145 1662.042342 1677.805922 2301.976921 2732.536292 1274.201388 112.1979946 876.2353358 353.4295279 1034.01028 640.2339886 65.97087216 91.67098779 306.7630502 9.569656367 142.7316255 264.5808155 875.9975576 1051.371561 2215.854254 205.2490834 968.0424068 349.718735 Cyphenothrin 2834.584652 7343.184242 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3236.358694 3161.817124 4283.508501 16476.92529 24206.60767 13300.71099 14989.5042 7877.751811 35007.04158 36714.63059 17735.28968 13506.04652 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14856.06581 27999.73278 10808.11909 34930.17315 11489.74758 22391.8621 33726.41626 49126.60277 15820.1644 1447.320046 404.1609099 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 318.4359589 2146.131857 6773.446406 4.07813e-08 3986.324651 4.07813e-08 3,7,11-trimethyldodecan-1-ol 364.8837561 127.1626259 740.853164 430.5075865 585.2072558 908.1719189 574.4747711 250.388008 447.5440997 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1261.977933 1187.61671 770.8238927 457.3064492 1357.647599 1499.87568 683.6339557 760.0423782 952.9698388 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 566.2871716 846.7342369 469.1320683 1045.160083 747.8691119 1111.202012 864.1103008 1121.609535 1621.348806 848.7966036 411.7219396 426.1216481 137.6162899 620.3318699 4.07813e-08 576.373356 4.07813e-08 715.6283127 SULFAMERAZINE 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4295.525829 10273.84773 2048.600354 1258.994559 16837.02445 2366.232868 12571.88441 2865.598365 8188.601596 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6085.094872 7180.045877 1202.056382 4216.466228 1187.322105 324.4080468 874.7171977 2338.444117 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1594.665402 4.07813e-08 1411.999637 4.07813e-08 desethylzaleplon 812.6174136 1099.241188 366.3153053 1218.661083 646.7943752 511.8828187 492.1444668 820.3754378 604.8498065 2764.461942 2666.898877 2345.273825 2322.622978 2172.101134 2164.093346 1375.388446 2502.168292 2706.470822 971.8345894 269.0045012 504.648066 464.8616153 421.4752865 339.2919675 702.9134147 1027.153564 493.2172588 2744.325089 2443.641262 2184.16017 1431.308117 2112.746435 1819.841969 3219.625264 1209.029376 2801.211939 1743.292931 237.5721702 459.815492 479.4407015 533.2086004 686.983354 386.2731651 1048.694939 1531.362904 80.15417418 305.66952 361.7259071 532.8123179 812.8114652 3582.477887 276.0310721 1358.955315 552.0353975 12,13-dihydroxy-11-methoxy-9-octadecenoic acid 5472.8454 3676.272975 7112.922887 12422.88496 11702.57012 9488.345329 8004.769576 6863.029385 5450.512423 227.9306835 272.1280913 862.3074144 105.0384253 929.7783173 4.07813e-08 223.6527504 4.07813e-08 448.7925847 10808.75818 9437.074777 8898.828541 8277.74502 12699.64175 11028.57542 8556.623979 9688.692919 10870.13478 4.07813e-08 369.7452363 1763.100037 4.07813e-08 439.5730309 672.1315955 716.4024157 316.1062713 1594.259557 7491.303091 7601.332647 7208.971255 10046.46726 9962.632421 12110.29132 9961.255831 9513.160905 14345.75177 7086.627566 7084.003529 8284.016704 5962.674182 7094.235831 1249.698015 7273.689732 174.212071 7912.427633 2-Hydroxyestradiol-3-methyl ether 1192.502935 980.3692025 1427.203034 1102.200294 1188.287964 1351.619614 1654.285844 1771.162944 1876.179021 430.4063496 293.7938469 185.7163722 771.627244 147.0672875 253.4892335 4.07813e-08 4.07813e-08 1603.299298 4321.438742 4334.991275 3542.185894 4477.30792 4603.151548 4335.42075 3484.450439 4500.588108 4307.849926 4.07813e-08 314.8187339 107.5606582 137.0256969 344.8231774 112.1058834 830.2582277 343.9468633 374.9297249 2877.688129 3038.520556 3755.580852 2941.406718 4787.434922 3708.424754 3947.109482 4624.521005 5043.432985 3897.587872 2597.06642 2695.928298 1666.609435 1833.591907 1267.324564 2435.389839 4.07813e-08 2477.141633 15S-HpETE 1214.087703 457.5194316 1842.367238 2170.884151 1833.462622 1325.878065 1316.003821 1463.941388 3149.948594 225.7210268 894.7122861 279.9549528 100.6974748 377.4834519 4.07813e-08 4.07813e-08 4.07813e-08 467.2042467 3232.577571 2759.822856 3437.879167 4089.200588 5275.360132 3004.518908 3196.536521 3698.541526 2529.762924 4.07813e-08 347.5195828 4.07813e-08 141.8584526 4.07813e-08 4.07813e-08 263.6232255 4.07813e-08 333.9730841 2133.653938 1411.324397 2324.305695 2403.300197 3824.187988 3732.456322 3014.66287 2924.259838 5030.763054 3874.83387 4791.964915 2351.320042 2619.991171 1563.755342 1617.984327 4775.481414 4.07813e-08 2486.896068 Obidoxime 4.07813e-08 4.07813e-08 4.07813e-08 85.10917656 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 178.3814663 103191.2063 144230.0385 110507.6034 80971.69625 107641.6161 113570.487 155883.1116 555365.0664 5021.511092 4.07813e-08 47.04812976 70.14885801 62.49026509 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 44094.17062 85792.11846 127494.4379 93496.16258 154262.088 85293.30812 105742.3489 138859.858 3550.675171 57.92194436 47.55236651 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 70.32226732 4.07813e-08 1936.178683 240.162738 68.82714864 4.07813e-08 214606.024 131.4955943 96044.39922 4.07813e-08 Cinnamodial 725.4154315 993.2594284 1919.169957 2727.504134 1349.670974 1570.449874 2614.342952 180.499664 1369.11896 79.99939841 4.07813e-08 136.876336 81.65468801 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2149.32015 3681.447635 1692.857232 3297.521503 2626.901609 1941.845556 2854.173156 690.6326099 1222.643878 4.07813e-08 4.07813e-08 338.9678368 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 753.4744484 1342.322696 3586.639954 2382.904539 1107.009486 3771.054684 3181.537767 1655.500236 759.3698716 1049.347199 2328.111961 1583.132511 3061.801108 1041.110384 693.541779 4.07813e-08 2458.304099 4.07813e-08 352.0495069 16alpha-Hydroxycorticosterone 10242.89247 5131.31662 4702.204996 5929.526068 5488.287267 8546.840483 8551.045423 6527.917384 5637.999366 1428.119889 2041.287886 403.5655059 2592.831995 444.3891694 2074.624639 4.07813e-08 1628.547766 1474.901839 18920.48297 17700.72971 14305.40098 17082.24904 20465.2594 19636.3451 17175.06581 17981.74616 18891.50162 1938.036875 1744.06464 1020.15416 1418.718205 5172.720282 799.6214444 1348.429558 390.3578386 1238.328921 11248.87683 15159.12677 12986.79564 15878.14791 19991.86495 19342.91686 18527.31127 14839.2543 23707.674 16317.41509 10953.53251 14032.6276 12428.14743 8666.40182 3317.761457 12621.77645 2350.19171 12950.5719 3-[2-hydroxy-3-(sulfooxy)phenyl]propanoic acid 8616.698517 7013.304713 6368.745938 7757.312452 7402.923012 7653.830711 7374.340055 9022.352461 10027.41719 5050.227101 3152.386151 4756.205596 3767.608417 12135.48899 6698.383622 7277.14767 2887.924981 13101.76281 5643.200679 5453.065045 7839.99326 7254.642898 4248.100866 4050.175399 3323.488991 5661.164607 3343.725006 1879.694811 8551.31648 5043.97037 6044.589977 6915.764492 4525.493581 5175.300965 2477.973906 3519.701573 5771.223109 3892.913718 8674.421001 2202.914881 4292.629308 4166.657989 3836.013215 4237.096258 3304.107279 7179.097193 11504.11964 7386.327577 6572.472561 4883.926937 6612.9965 7412.842594 4148.297974 8044.592534 16-Oxoandrostenediol 4226.134238 5443.719622 2267.022144 3600.90293 1668.187884 5031.86506 7611.116839 1015.913126 889.2878364 92.36899941 4.07813e-08 4.07813e-08 196.9091547 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 146.5100203 7851.907717 10591.80458 6202.522515 10127.10849 10380.11334 8098.64455 8782.952323 3742.42063 4401.340202 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3400.240432 10616.12395 7921.784402 5356.447464 10039.72769 8837.597994 9473.381754 3370.385487 6909.772977 7858.087914 3353.10914 9899.452612 2274.848523 2258.317798 4.07813e-08 7123.112897 4.07813e-08 2822.13807 SC-57666 84621.87926 106660.1741 99693.22603 92460.80342 74982.1863 78379.27874 107052.967 108346.1244 97871.01128 38144.72263 44045.50905 41190.79452 41896.26047 37534.83537 47875.20683 45322.54742 15652.04817 28119.08331 41395.65843 26447.6906 46534.95452 36753.55921 31425.20605 46433.38739 37395.72421 67081.44047 71297.43464 14665.41043 44695.1569 29209.55043 63527.60948 28456.20312 31461.44047 31718.84936 35655.15418 48309.47204 100298.3626 90684.19627 75221.07013 58926.76629 38096.99473 38432.2379 42452.14778 82833.25416 42082.29455 72179.19608 37725.89211 60975.25929 59629.84779 65255.17766 28618.27372 56632.56844 68862.87823 57051.81985 Dinitramine 4726.958868 22744.95066 755.3682412 4.07813e-08 0.512328502 4.07813e-08 3388.025294 2913.423465 9975.303146 9573.241202 13331.10773 11291.77877 9464.970226 16943.73178 9942.430649 9130.861557 672.8434989 14184.57783 4.07813e-08 4.07813e-08 4.07813e-08 7021.771461 4.07813e-08 4.07813e-08 4.07813e-08 5257.335094 2012.851533 10920.56689 9419.665403 10507.08541 8427.588837 6989.465366 11925.00019 7880.426435 3755.616495 13109.15534 2430.160454 756.6093848 4.07813e-08 4.07813e-08 4615.052569 4.07813e-08 889.1552925 3755.511645 14189.80005 4.07813e-08 4.07813e-08 2537.159523 18830.17432 1779.278672 12575.6961 8954.627916 11026.75993 34233.92828 Poly-g-D-glutamate 12182.09926 10484.60642 11108.86752 13373.84347 14912.84895 43469.3806 24487.72554 20721.09601 4310.465019 16563.05065 20827.85302 15104.77766 18432.20247 17002.00755 12042.65597 12492.35551 9899.10475 12053.82284 9957.623861 4993.809763 6422.057505 5679.827141 5406.660687 7728.971905 7286.69436 3742.724564 11572.40724 10598.13199 18356.94527 20221.95094 13571.22104 16408.82759 16831.39107 11237.91607 6787.646042 16090.8612 15144.61611 10580.69908 10471.30918 9338.169044 3447.16242 4528.469419 8948.491548 3784.796465 6677.011894 7374.01131 2781.846496 7437.093936 9919.723015 6808.665236 8204.969922 5637.949995 10703.13381 15471.28588 6-oxo-famciclovir 1781.507469 5308.25506 1462.675663 4097.796259 3352.279801 1790.980098 7407.930448 5844.268907 3131.811614 13718.38892 11825.3652 10323.09659 13576.20367 9896.521618 11731.02458 9618.917039 2749.834943 11348.56378 1493.371609 4.07813e-08 955.7801596 523.7529886 993.7405277 2222.797734 3534.20551 2207.352864 2453.081904 8714.125598 9621.287764 9926.629939 8660.188568 9686.164212 14071.31888 11609.25602 6872.025674 9378.343977 3420.925226 3494.452508 2276.628185 1995.314885 2228.397645 1767.66708 1155.194749 3302.365277 462.161522 3811.927073 1520.267317 2761.457029 5318.96766 7045.432703 13680.31993 4181.38748 13058.34458 5106.197077 Dantron 5808.863598 5091.61296 3790.957433 3419.601771 3325.715745 4559.619069 4094.827109 5207.857487 4689.51853 2515.273753 1415.174543 1178.458349 2335.669346 882.6760984 1415.690115 465.5142341 792.4749252 1719.124823 5923.535756 5553.460787 5141.656315 4901.883148 5295.82799 5642.268518 4509.815501 6503.162656 6981.354698 1705.3018 1541.928092 878.7501187 1099.670705 1138.075183 1636.436507 1584.136671 471.3364625 837.186317 4192.070338 5418.5506 4757.485998 5097.259944 5071.44888 5396.065612 5699.459584 7864.746492 8063.657631 5471.935021 3910.109922 3673.643759 3724.902261 4040.20896 1919.850722 4228.749992 1472.111422 4612.541956 Thiocysteine 231.4486167 693.9043071 211.7548963 174.7527563 209.1122738 230.4120045 168.8467521 706.2548948 4.07813e-08 9408.604509 4643.134228 9171.339014 9072.822884 8345.74646 8700.800937 6476.260857 5675.254023 13349.14935 152.6297898 4.07813e-08 223.1315913 4.07813e-08 757.2779238 164.8657722 165.9559653 4.07813e-08 4.07813e-08 7694.084877 13590.8082 4607.868519 12764.02647 3476.498301 5368.115497 8605.45257 5350.566799 14130.29999 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 114.3247777 146.8614204 276.477407 4.07813e-08 4.07813e-08 402.4110375 524.1335406 233.3076404 389.2642609 184.0131424 9310.46595 565.0345548 2943.707651 962.515062 4-O-beta-D-Galactopyranosyl-D-xylose 7973.71438 12289.22212 2963.628288 11901.60112 6925.604756 12730.38707 6681.99629 13542.14725 4719.505069 998.3099443 670.5876216 939.7299217 612.9269257 445.4295116 4.07813e-08 1631.628824 4.07813e-08 4.07813e-08 1035.644016 1758.230067 891.3715407 4.07813e-08 145.7209056 4.07813e-08 707.8622873 1129.576762 3391.947595 244.1207726 194.3580827 857.1679605 773.8341091 4.07813e-08 4.07813e-08 1261.818037 621.1501277 704.0362361 7398.242351 943.7801594 2512.142102 1702.803087 407.4950056 526.2237287 4.07813e-08 2034.734517 2827.942426 817.3167579 690.1556988 2720.958548 7733.936572 5618.406354 1434.626233 2820.518682 4.07813e-08 11394.17195 Quinagolide sulfate 956.9787859 1354.893738 2846.390801 638.2903488 2440.858038 743.3045941 689.7768582 9921.659561 11012.57497 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4918.515553 2964.904556 2365.320935 349.6212863 884.3264131 3557.224125 1436.000235 4.07813e-08 1388.474792 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 244.5747071 1657.025758 497.5815891 5429.360953 4655.491806 2521.889844 6554.883489 1410.050121 151.3766657 22701.54785 2696.787226 12469.78396 5184.132465 8821.208126 4.07813e-08 11334.41762 4.07813e-08 2439.235684 PC(3:0/0:0) 1592.531232 4159.094214 487.9438217 1931.327917 344.7199546 328.4337853 4185.983773 3554.003711 1322.84844 40076.67125 43537.82697 16099.85751 36484.70075 29238.15938 37989.27536 43916.87518 19044.8633 29189.18436 807.6470835 254.2761136 966.8096243 785.5033267 829.3652366 778.1587687 1215.740683 1342.878016 639.5022708 30855.45465 30402.92998 31379.15228 17692.13052 30289.56085 19895.01129 39085.57363 16692.26683 23438.31568 7082.87055 442.4453012 1106.038688 492.7616705 276.193943 2739.705136 404.5780097 760.148705 540.4408648 82.09018298 468.6440995 3389.708982 4286.23884 6569.773882 27185.19765 3050.186632 30291.6094 3404.04758 3,5-dihydroxy-4-(sulfooxy)benzoic acid 2032.161193 1947.78773 2376.240153 2055.134378 2098.708122 2774.449419 2356.484071 2304.764394 2243.968577 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1554.317094 2095.392671 2705.748721 2927.782257 2503.224887 2236.811397 1933.499943 1989.730753 3240.582728 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1489.935458 4107.318464 3405.347007 2521.347853 1943.190549 1823.764716 2015.774019 2327.295707 1343.836658 2537.095899 1807.355803 2597.860203 2314.983349 1898.968934 4.07813e-08 1691.740826 4.07813e-08 1493.781477 Brassicanal B 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 64.44285864 4.07813e-08 4.07813e-08 30.42785513 4.07813e-08 162.3826473 43.55614304 78.30972964 4.07813e-08 4.07813e-08 4.07813e-08 314.7574741 100.0204324 146.0964758 151.2624339 4.07813e-08 4.07813e-08 4.07813e-08 3659.974106 37.07405682 90.86405882 74.92188896 45.42677868 101.4965576 129.6461945 29.10984692 319.8267075 38.69540628 91.59120518 133.6347963 87.76991959 46.70415673 4.07813e-08 161.2664768 330.1152975 4.07813e-08 3162.665872 511.9640846 71.38581514 4.07813e-08 4.07813e-08 4.07813e-08 137.3902378 313.9773781 41.17818951 198.4936339 4.07813e-08 1R,9S-HYDRASTINE 4.07813e-08 1650.271588 4.07813e-08 119.2387371 4.07813e-08 782.5729797 110.4992955 1646.935777 2736.006351 4613.874528 3913.086584 3184.214455 5146.980481 2259.190174 3691.392838 2179.474899 3261.696512 4240.066081 210.0063391 80.30919153 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 74.94773988 3548.500529 3716.664796 3243.876339 2723.495979 3914.304434 2709.883231 3283.04292 2317.059552 3092.187862 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 109.2501201 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 113.4014678 4.07813e-08 341.8958291 875.7364707 2384.457492 3767.326557 391.7570192 2717.19578 197.4695307 3,4'-Dimethoxyfurano[2,3:7,8]flavone 1586.238898 472.1182876 953.4683952 1043.772773 521.8866817 1424.413922 808.5199911 1174.787085 1112.224071 106.1544861 224.1042981 34.32307071 60.01797188 34.14712403 4.07813e-08 4.07813e-08 4.07813e-08 64.31919588 1853.828046 2336.361926 1916.617368 1772.70251 2746.309156 3704.648654 3607.287418 1077.649985 1327.247191 132.9911449 66.94823454 4.07813e-08 4.07813e-08 52.4721659 75.26088836 93.47660223 66.50923443 157.6813173 1329.398358 2686.005735 992.7368825 2609.692919 2496.300523 2519.802125 3221.229862 706.3892884 2954.508538 1478.131767 637.5276843 1632.587825 1343.233578 857.8861364 518.2336354 1450.432471 4.07813e-08 1485.762359 Butyl oleate sulfate 4.07813e-08 4.07813e-08 2834.450831 4.07813e-08 1263.97702 12530.55083 6179.453078 5066.703003 4327.513396 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4398.819333 18050.59424 12728.37743 8095.009032 9771.391272 16225.44938 10203.97026 1805.537069 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2023.757766 4966.132698 4940.426578 13687.58588 1157.779048 14659.9102 692.7274145 4.07813e-08 27840.95305 15890.54441 20543.67574 3386.810332 5394.262083 4.07813e-08 10466.54861 4.07813e-08 4278.746431 alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid 340.6270632 4.07813e-08 1371.861386 4.07813e-08 4.07813e-08 3268.75325 705.1664176 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1001.478315 3465.834249 3369.053964 4967.042974 6828.080895 4603.69675 4062.005084 556.4902041 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2652.45817 737.7437951 2798.928743 2410.021829 3624.799346 5065.299727 4.07813e-08 357.5208317 9406.822992 3297.644834 1952.984926 692.9249395 824.8899528 4.07813e-08 1100.28732 4.07813e-08 4.07813e-08 Ethoate-methyl 36003.84637 30270.64339 38969.25746 34968.57134 42228.6424 34379.56215 32528.14501 33939.80323 36069.94828 23047.08588 21649.24476 23969.41683 28242.48487 25581.56289 25598.65596 31426.97974 22712.3593 31426.83506 25373.85484 25644.40039 25310.1472 27891.65387 27106.96988 27765.79656 27770.12581 30931.12598 31526.81884 20277.48857 26770.76676 27189.95552 34587.92446 23301.45931 22394.99997 24847.4083 26428.93387 29073.404 23228.13028 27629.98514 29947.15188 28069.89511 24888.37653 29848.83633 25806.09706 30432.15822 31064.89009 31865.63172 33411.29471 27239.08309 29105.72708 27336.48566 23900.95555 31846.49225 28687.62989 33524.51073 [(1-oxo-1H-isochromen-3-yl)methoxy]sulfonic acid 24192.77053 19096.50794 20786.57419 19264.87934 20651.88641 15246.822 22585.12485 18906.00895 20405.20307 16932.40853 14886.9237 16237.93746 14912.30573 19467.8831 14614.3106 17540.92889 14537.3341 20217.5668 15831.2027 14378.14171 14609.71963 12622.11319 13374.87612 15250.13832 15654.99055 21865.49045 16498.12376 12075.8475 18003.36838 15342.71068 23136.94725 14275.45969 15646.52688 13996.63867 17357.23712 24175.93473 17766.66749 16501.70532 16363.90878 17077.64135 15354.07169 15634.01884 13787.71479 18083.67845 21307.14121 18537.63995 16692.9545 16288.76497 17135.30646 13003.20725 13230.44778 16525.50708 13561.92405 20721.67686 Chlorogenin 318.0129406 4787.743606 3749.754264 5026.293093 2262.143885 1062.609937 3136.432543 2532.102756 4024.42893 8065.662197 14217.38493 4844.331316 6633.757796 19274.01885 6615.550822 11833.44914 81707.82945 12126.70894 771.8045391 1532.420523 1913.70962 1476.668432 789.5376609 1895.135181 961.5795365 2602.12626 4.07813e-08 1918.204006 1947.820985 4.07813e-08 1968.286671 1112.56343 1878.380015 4.07813e-08 5256.264081 563.8681799 1167.180661 4.07813e-08 1577.604961 2102.63855 1984.335545 4.07813e-08 325.0291309 1771.246716 4.07813e-08 4.07813e-08 3296.033282 4.07813e-08 1362.34449 454.2316754 2675.526519 4.07813e-08 1413.611915 4.07813e-08 Pteroic acid 147.7323894 96.8477714 155.2345392 4.07813e-08 71.84939175 79.64354824 374.7948716 184.4018169 4.07813e-08 4.07813e-08 4.07813e-08 51.73496937 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2452.724824 2593.637487 2237.320678 1798.191473 2957.54172 2127.502909 1899.09772 2430.374688 3069.623552 143.4379151 133.917129 4.07813e-08 4.07813e-08 79.8405714 4.07813e-08 339.2157924 4.07813e-08 4.07813e-08 1273.426284 2098.199466 1835.653458 2264.443725 2044.196245 2595.060304 2029.12762 2356.417457 3496.639257 967.6295802 1335.57043 1308.951696 1081.353901 1347.704865 670.5465359 1666.785015 130.6652213 1249.766856 17-Beta-Estradiol-3,17-beta-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 3086.006537 7061.606177 12414.68411 2146.322489 10826.5626 1672.894186 6000.664547 917.306193 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5955.050275 2135.148659 19505.69855 2304.755691 12525.32185 11993.64989 6658.401113 4223.782073 11656.6952 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4240.252784 4.07813e-08 7030.448132 4.07813e-08 2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 19887.46455 14714.04482 8992.648315 18879.25471 5430.835661 12964.58502 3590.494793 2521.665261 2326.769294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14931.61872 16004.91632 5098.723285 12630.84802 18527.88873 11729.65387 23878.26971 3119.390745 6651.399334 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 20369.29123 4.07813e-08 15331.25869 143.3986218 2,5-Dimethyl-1,4-dithiane-2,5-diol 779.590729 207.8535713 4.07813e-08 210.5545576 220.110575 269.8884559 215.5518202 164.1071533 170.249218 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1009.124332 1172.254518 763.6792168 650.0525446 1050.543668 884.793259 825.1130467 756.202274 1200.520937 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 314.0266132 1111.959593 510.785532 777.2882658 988.65453 957.1788618 622.3617236 1051.259079 1838.751289 310.5204218 466.7121732 446.2332414 757.1212299 395.4193519 4.07813e-08 543.0795362 4.07813e-08 850.6552152 Morroniside 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4054.185091 4302.578693 2858.004829 4922.041908 2904.907792 2823.413043 2299.247976 2449.841328 3169.524851 118.8043947 4.07813e-08 0.339151023 4.07813e-08 61.39929944 33.32053951 4.07813e-08 4.07813e-08 4.07813e-08 2802.697951 3422.275714 4428.899761 2693.005964 3780.021253 2733.120781 3040.989349 1862.94522 3989.412559 187.9063738 95.62013685 4.07813e-08 4.07813e-08 4.07813e-08 242.9147815 4.07813e-08 4.07813e-08 93.66194092 4.07813e-08 4.07813e-08 15.2599948 4.07813e-08 78.83307175 4089.445839 82.52505648 3956.87534 140.6568669 Warfarin 1656.876723 785.994919 1752.98223 1886.65439 2018.31856 1527.366111 3096.836822 1818.836597 1608.090082 376.6964757 381.338874 260.6306892 1055.937824 183.014753 538.565076 534.3007992 577.8152713 397.2465611 3312.120418 5681.032873 649.6393775 3910.798557 6638.064499 6689.006013 5879.212466 4752.615282 6775.425723 571.1626419 476.3942481 114.7310362 285.2014463 425.7583056 557.4619883 587.0927018 488.3762305 385.2079703 2803.780689 3134.831392 941.0642778 2818.315946 5174.319184 4617.592314 6588.446221 4590.254459 5471.878551 4770.902304 3652.199402 3026.351739 1210.776874 1182.683103 856.892617 2016.823444 420.7639237 5098.439174 4-[(2,4-Dihydroxyphenyl)azo]benzenesulfonic acid 60.95197994 381.5764094 66.93944817 4.07813e-08 4.07813e-08 270.5801519 113.3845444 120.725906 198.7100784 3033.887548 4627.154546 1665.246877 3934.726002 2764.592605 972.9252883 525.3017566 963.5184268 1285.08616 83.83628225 52.09719795 40.85857243 4.07813e-08 44.09241708 178.1986644 225.0990144 47.03731795 4.07813e-08 1909.289087 6001.359044 2065.136285 3159.603469 5985.636423 2915.63681 4055.118442 2665.554288 4492.478981 52.51480002 43.98048682 136.8857297 109.6055863 44.54978905 91.91900377 139.2823512 52.23093474 4.07813e-08 353.3851356 69.66122074 196.6926881 89.60589361 138.7722294 3685.168418 194.4288319 2340.366119 74.57978391 Fonofos 4.07813e-08 173.0033931 4.07813e-08 62.39216233 38.1699943 4.07813e-08 103.0388274 109.4258093 4.07813e-08 856.3551177 907.8951338 1246.569096 742.5596033 405.1806885 818.9454539 947.5256806 972.8502197 1457.702211 3.223181749 4.07813e-08 4.07813e-08 4.07813e-08 38.06083559 82.03395238 4.07813e-08 4.07813e-08 4.07813e-08 1469.267933 710.1810788 1129.478229 942.2852837 1121.117636 940.6934496 1336.764277 938.4138336 721.780491 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 128.3500443 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 78.70555959 226.4153698 1877.735492 43.52679123 1047.938539 4.07813e-08 10,11-Dihydroxycarbamazepine 1388.716718 1031.926096 1542.075746 1432.766962 1991.632675 1564.893491 1244.957893 1324.711786 1112.058616 188.710272 75.37382069 247.0899804 168.9918687 7.855479847 0.109696164 4.07813e-08 4.07813e-08 79.33112054 2875.475911 2833.694185 2713.511422 2399.747955 2470.758369 2734.402005 2124.699163 2437.143521 3389.653566 165.2646415 172.4898029 208.3007522 54.59653013 189.8772004 308.0149739 311.3182253 4.07813e-08 6.593667187 1414.909801 2099.62744 1607.070909 2279.060022 3013.762027 2799.694652 2579.348907 2234.733426 3416.157472 2292.43559 2254.659413 1716.05986 1563.683753 1471.641885 204.4742174 1504.506404 186.2317913 1875.852499 2-(4-Hydroxybenzyl)isoindole-1,3-dione 7280.283294 4017.128867 3550.920722 2739.084189 2843.858053 3766.06629 4740.009115 3022.928816 2412.590219 3795.277444 3625.602098 964.4624002 4300.95982 1224.164262 8873.835672 384.2593976 881.2841922 529.4611344 4209.123557 5099.883478 3531.491901 3218.674389 2803.332805 3182.918074 3348.466799 1015.935549 2258.328554 524.6301774 899.7343506 561.5737397 581.7665425 718.7105486 644.4259755 1361.90517 249.5074172 593.1338918 2358.247012 3514.981774 2532.853859 2404.812446 3450.478822 2918.33945 2532.274759 841.0880543 5146.947737 2813.203777 2191.599235 3227.621723 2576.821516 1704.852118 976.7495742 2982.814086 545.7776396 2831.228089 Gluconapoleiferin 91824.34786 95488.46782 79316.67892 75140.93678 71218.25727 116160.7618 116158.0723 118828.6408 118933.5207 77049.56898 68975.20752 68573.22154 61211.40613 116677.8137 93555.68891 109497.6155 81178.0518 95020.48374 59989.66633 62444.48715 52485.43418 95520.64151 88103.66069 84887.79886 82867.03576 83437.3623 74712.95242 63166.41147 69742.29231 113609.6504 124233.3828 93053.14771 88321.20375 76972.64228 83354.6202 94476.62301 64477.50531 99481.64326 98866.81968 80151.0487 74788.95812 75713.1647 72187.34704 81015.05415 72699.66582 104959.8363 110184.6579 92420.89413 95098.68435 90190.86501 63126.51462 69032.87575 80912.41035 76997.11536 Siduron 1445.28769 972.0508828 1370.343171 773.7825711 1320.36993 1480.964886 1418.991411 1663.555973 1258.641185 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2677.319789 2436.174647 2586.966248 1898.35965 2778.504884 3000.935611 2341.442807 2861.888995 2557.388404 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1433.475826 1993.806665 1920.869469 2184.537532 2356.007324 2562.411819 2443.017298 2470.618446 3898.390513 1934.996521 1308.257881 1925.256159 1356.222621 1237.492854 4.07813e-08 1710.898771 4.07813e-08 2097.258809 Premithramycinone 1668.535949 2495.296372 2883.516068 3020.840864 5889.438801 3530.909163 3014.331494 2719.159595 2515.806355 420.7084428 633.3063395 557.7130564 393.9790115 1743.709439 891.8773941 2009.82312 3305.302249 285.4468624 3966.93704 3483.221619 4458.400871 3093.564585 9271.760615 4008.336148 5419.711849 3288.716961 4880.021293 220.8482265 373.9308807 733.1152456 178.8578451 525.5495871 198.4911151 154.1547303 785.320908 439.4908038 1596.834092 1404.988384 3177.465384 5173.564994 3883.517214 7012.861547 4072.590363 3115.674592 3854.786754 3190.59665 7714.824436 2813.806174 4190.154832 2966.263095 6603.366247 4452.706398 2734.599961 5763.533343 7,8-Dihydro-3b,6a-dihydroxy-alpha-ionol 9-glucoside 3812.988363 1978.641272 2007.411651 2741.493824 1483.242505 2285.379309 4069.01549 585.290623 1512.24869 2312.897109 1168.930475 1706.524216 1606.645456 2133.24502 1763.177967 719.6402378 725.496997 271.9790018 4500.683726 4549.448244 3586.620123 3757.626968 3219.192893 2876.048123 3218.760193 4419.565659 3415.237583 913.8141765 1805.972352 2241.001306 1065.994931 1918.681164 1559.482292 2498.892008 794.6275304 1229.662032 3333.300025 4855.014052 3011.683648 2519.716241 3964.424225 2443.382676 3535.593329 2979.719796 4409.394928 2488.832166 3033.548059 5082.67387 2486.750799 3707.645271 1765.281593 3213.437324 2605.647371 2630.356139 MGDG(18:2(9Z,12Z)/18:2(9Z,12Z)) 11807.28493 11982.01766 11768.07881 16783.85791 10091.92137 12607.16854 15630.16755 15575.53726 14467.40207 17994.25175 19463.94425 12388.23169 19514.39902 20654.92546 15441.31149 26028.49221 21108.53922 19510.05267 11455.83644 14543.12524 7156.393254 11205.06378 6532.36055 12101.62532 10843.33578 15799.57024 8463.486616 11646.89051 24218.12202 18453.33944 19921.85261 17554.8637 14418.26424 14213.84236 17949.60975 22718.29631 9780.87434 8561.924916 10313.36206 8393.503723 10716.12648 8572.156117 12056.89392 13929.47273 7421.622303 16975.49614 13512.33484 11867.47017 11658.01309 5345.466705 13545.73165 9228.322833 21057.81269 13936.27358 3-[3,4-dihydroxy-2-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)phenyl]propanoic acid 3068.033052 3383.656637 5227.054316 3418.532441 7005.7727 5178.533977 6765.66578 3870.240883 2811.959699 49.94362183 411.8792577 239.3596539 469.8580357 126.6018956 404.2784806 4.07813e-08 4.07813e-08 855.6594816 15361.78082 18484.65829 13600.10309 15096.72938 21019.04746 17596.62049 16094.24977 15880.26376 14738.02472 98.49929388 291.2537345 261.560955 324.3575261 1657.086622 427.7641684 495.3699555 4.07813e-08 368.8427259 10331.54725 15185.13149 12507.35283 16491.55891 18486.8503 20966.74625 15629.27229 15186.18179 19963.39616 13094.85404 9881.783845 12707.33719 10264.46863 9018.197584 1575.896908 13736.83833 1361.609418 9846.062702 Furanodienone 10531.88748 21959.4211 22481.34064 10731.93423 27417.53463 8258.876319 12303.49492 20191.99287 57003.8362 18134.38307 973.1738593 43793.44927 21556.64335 52315.05531 54781.32608 8788.854162 2981.807986 154291.5606 12368.31829 13429.92158 20121.5322 8518.379598 5773.346604 1221.213943 5705.805875 3471.537317 7734.870263 4987.508934 13034.98947 212.5484923 3314.079241 1267.546532 2064.888146 7881.956106 455.735108 5320.760628 16305.74882 4682.411391 16057.36341 17602.61289 5247.758252 12987.46359 1089.503598 2708.331606 7436.680345 48754.58195 40455.6386 20305.25713 35383.96717 27452.45132 15757.95737 36427.1004 4623.169561 25285.59262 OS-PA 392.259402 788.8777277 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1910.874835 716.5496343 3467.514577 1878.063466 2.339963926 2920.740876 616.5210415 9204.095752 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2755.406647 1028.948191 8069.978821 219.9173008 1044.679613 4414.032003 2352.61555 4747.06454 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8227.141224 4.07813e-08 2877.449451 4.07813e-08 Diisopentyl thiomalate 2192.25565 946.5371635 1709.611666 1827.57065 1440.631496 2867.77866 1603.080877 1790.295306 967.9005348 1044.682849 1597.616345 1618.553525 390.728787 1304.7551 649.8125082 1469.253392 3913.048468 109.5717262 1613.665848 3510.045674 1884.398972 3814.930547 2943.244772 2050.932264 2296.43998 325.1753024 760.4067765 1924.50069 988.0152427 4017.974248 1977.211832 645.218416 1802.905141 1545.291974 3441.878881 2451.597208 969.2253019 1452.646398 1507.616011 1025.877849 3567.894194 3062.792341 1549.189783 188.0394311 579.2168142 1537.053483 1857.362694 2186.811553 1535.180678 676.2836376 4267.06359 2431.367965 1806.686068 1382.954739 Fulvinervin B 4.07813e-08 1584.897809 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 273.3838006 7734.906664 6052.195847 4176.295897 8252.881714 5624.978701 4832.74514 2512.088539 3383.677508 4523.895647 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1955.72166 4024.88849 3083.746567 2301.59347 4517.798361 4139.390558 2352.805286 1991.089638 3382.080005 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 104.8442048 4.07813e-08 5541.313659 4.07813e-08 3030.989391 122.4023336 methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate 4166.67486 5359.06826 1934.832781 3025.613358 9598.352033 4057.364684 5066.836471 3477.909579 2447.105641 3565.625222 3637.600929 429.0115654 4294.290039 350.8181928 11479.52054 239.1010054 4.07813e-08 924.5944088 3588.840522 3008.216215 3313.051676 3842.965714 3078.982209 2491.23595 3474.637849 3766.138681 3442.250675 4.07813e-08 155.1806233 964.537902 230.2099111 1403.441565 1951.243882 672.4308743 4.07813e-08 688.4424179 2395.019446 3005.152798 3546.249534 3126.268998 3666.713168 4141.049446 1792.19112 3361.809812 4047.08305 1535.923435 902.7328317 2732.406643 2302.29002 2497.299785 1015.09894 3197.746438 1437.434103 2778.461239 3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl 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-08 162.6457429 548.7390575 1576.43015 4.07813e-08 17550.40794 1668.906394 4312.862596 9905.590237 192.054568 4.07813e-08 4.07813e-08 1.482263847 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2409.288586 4.07813e-08 4.07813e-08 2749.957628 4.07813e-08 4.07813e-08 4.07813e-08 875.9383707 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 151.6975884 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9,10,11-trihydroxy-12Z-octadecenoic acid 1608.471261 510.6770147 3115.339582 796.7126678 2003.835111 3221.294112 1498.226947 1915.147891 1463.331886 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3155.839392 4191.691255 2780.459825 2793.124227 3165.23296 7131.064417 4482.495437 6118.372347 9388.604337 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 601.8261906 3295.637384 1370.457574 3329.04396 3083.452256 1585.203653 9060.154571 6207.675521 5173.120647 3716.061386 2069.12239 2278.649038 1765.649364 758.0232248 4.07813e-08 1670.644657 4.07813e-08 4017.443183 Triphenyltetrazolium chloride 108.1869689 4.07813e-08 202.31929 410.3293763 229.3971988 2349.951131 441.8484135 683.8128608 2235.736181 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 632.9077465 470.3560194 2108.239976 277.8012765 1365.612494 938.0530961 338.6852075 502.3280492 523.8399368 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 889.9677672 4.07813e-08 91.77177796 110.515717 1315.370777 124.9456642 1016.077991 514.6818163 245.7674126 4.07813e-08 106.3172418 4.07813e-08 118.4059726 123.0547993 4.07813e-08 116.4425585 4.07813e-08 4.07813e-08 Ganoderic acid L 995.2273436 6449.545904 1909.107834 5218.050053 8181.018235 4914.182368 10142.33838 9240.23436 7003.947691 4.07813e-08 163.4398652 437.04391 4.07813e-08 2124.877501 1365.861031 1679.643681 7849.35604 148.3125455 9868.02385 12120.44738 6992.872087 15109.74007 11804.63629 17879.35484 17129.74102 3393.252421 2701.929898 1181.816342 4.07813e-08 4.07813e-08 175.0363115 150.3534942 4.07813e-08 126.750025 462.040857 4.07813e-08 4513.905762 11627.85173 5306.735009 13913.4919 16098.32843 9653.946536 12859.38461 3286.621901 10727.88693 27520.9762 25347.7236 2853.883837 4728.343499 6973.432524 5816.479099 5853.530048 1929.455678 2384.780073 Kazinol H 21272.93373 22337.5458 6382.189162 1476.538924 3024.810216 16662.36765 3160.337438 13311.21323 33229.38292 4998.199262 4.07813e-08 30297.26838 7729.766203 128184.6191 61453.70121 3872.394054 9224.09145 194314.9698 23728.9015 6602.711869 12098.50656 5492.016349 4759.187646 789.0154397 766.5882938 215.2756796 810.0832666 108.6464567 20859.56316 4.07813e-08 14798.18317 7746.038611 87.77536475 6760.917564 154.2993257 2721.565924 1089.606839 4105.210001 7977.837975 16834.39843 1107.763246 7585.105749 187.4747577 203.739449 384.9717335 31519.55308 52879.66058 17025.12037 60229.13713 18559.40691 36758.60391 18725.48933 4.07813e-08 16998.22045 (E)-Avenanthramide D 4.07813e-08 1188.38349 4.07813e-08 4.07813e-08 826.6360021 4.07813e-08 4.07813e-08 694.3043461 4.07813e-08 18314.21468 11162.01957 6607.148757 19206.52732 13158.35911 4546.643047 7725.219524 3205.427068 4.07813e-08 843.2882279 386.3029721 4.07813e-08 649.4122715 689.9827026 4.07813e-08 494.437855 1700.981902 4.07813e-08 4631.376787 10107.50858 1071.78183 3718.982201 1283.346402 13837.18295 7192.002718 4520.379451 4129.041298 4.07813e-08 602.5928053 511.5281403 903.9679428 4.07813e-08 4.07813e-08 4.07813e-08 539.5929269 848.0665365 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1695.759097 4.07813e-08 Penicillin O 28134.48277 53568.98761 34655.41517 46515.75883 38583.44185 52336.08795 36938.22713 48765.61717 46168.41342 73977.38361 58780.70275 88220.17091 80007.36068 106316.9181 78790.29573 67260.16928 61276.31353 84962.24467 22978.4836 17437.5517 28095.17978 31845.79185 21602.19387 31869.36784 25497.40808 39712.60159 26897.23939 31493.87278 85297.05576 88202.66181 117793.9355 49277.17067 55866.88948 66299.77868 70193.33125 118447.3905 35626.69786 30830.38456 24317.44543 37664.92232 22639.26104 27647.69218 30229.25555 41413.49605 26054.33285 25847.24661 22644.18405 18165.36606 25877.29899 54539.08835 94529.88943 23680.49949 80481.42795 33185.62843 S-(p-Azidophenacyl)glutathione 33505.69524 51845.07145 73607.17514 77990.17864 28784.11997 66087.37774 96904.52744 63814.09015 39922.65181 50927.7571 48177.56842 87647.83079 47875.53958 98984.37045 22620.32217 62087.23377 14355.47806 229077.1384 12911.73269 47033.20633 563.4564302 9763.162773 3519.850342 738.2821299 3094.865928 14172.46126 14631.23733 19095.95678 62241.23142 119062.078 55753.88906 58886.72488 32099.65311 19941.39529 61082.65479 59814.02493 17384.56477 14419.80248 6824.03641 12707.0723 7675.196102 7102.65253 1557.633789 19879.03343 7353.107402 14723.11402 8517.617933 11798.34925 7908.347199 25738.11368 75863.97198 17614.67213 41251.11709 48128.45733 {[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid 8331.992904 13619.88421 4523.025816 8523.052699 10797.91598 9456.320953 6805.785627 6928.442262 6411.24644 34283.03602 25596.56871 43903.16176 41915.91807 47233.39418 31875.09264 35376.67917 58424.61173 13623.18341 520.5368311 695.8739149 3352.558182 7888.273731 2278.290242 2164.723744 5110.219228 1076.72643 1078.466693 32462.7484 35646.58535 18478.32351 37142.63683 15945.34131 58653.75548 51106.60109 48095.6246 30745.31889 8285.484119 4271.117197 1786.152497 1267.7263 6858.891345 1752.384942 1541.994408 2039.80614 2302.246091 2350.727535 1745.53428 1515.41138 8187.889225 12547.77825 23962.69451 2273.125914 12192.11145 445.1938908 N1,N4-Diacetylsulfanilamide 4.07813e-08 3468.437938 1327.031417 1964.966329 2238.920838 4.07813e-08 4074.618042 3076.389069 3804.794258 676.802583 780.6248862 5751.720218 3488.078738 4095.561166 922.1723318 6934.034978 11600.41286 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2324.637042 4.07813e-08 4.07813e-08 516.7161057 452.9488685 4.07813e-08 2370.99476 4141.436017 1188.455741 4.07813e-08 4.07813e-08 3850.136828 785.2105929 13374.53734 4305.088573 3536.276539 4.07813e-08 4.07813e-08 4.07813e-08 1272.966753 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1872.144633 7176.38009 4862.096035 4.07813e-08 4.07813e-08 4.07813e-08 1507.62027 3,4-dihydroxy-5-(sulfooxy)cyclohex-1-ene-1-carboxylic acid 1356.427703 747.9426048 1439.466738 1069.643177 919.7548741 713.8986823 1086.510287 265.3119128 691.6594579 641.5417638 760.9113181 307.1289278 670.3558627 4.07813e-08 4.07813e-08 373.1284869 4.07813e-08 571.1186753 498.1167947 684.3650933 967.0901868 1016.18051 1692.342445 616.1050511 625.8556969 295.8983281 849.3132183 926.5564607 1059.075045 212.9601212 768.1647633 257.9086585 592.7605952 924.7643438 4.07813e-08 536.3123393 445.3048018 449.8968977 873.4398429 1048.980946 977.0247028 1347.755956 673.6083058 4.07813e-08 714.3387839 1056.338051 180.4265795 1111.272626 1178.420002 672.0871301 1011.915859 965.6182679 239.59735 632.283434 4-hydroxy-5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid 3159.147335 2112.540847 5550.356212 7510.893895 7354.280412 5334.094412 4026.002427 2031.970845 990.3383626 85.70661178 4.07813e-08 2201.146878 354.3455345 670.9736389 301.0293977 889.6992582 131.5341918 4.07813e-08 4996.116606 5819.235449 5868.825169 6345.344679 8233.738792 5931.249471 6873.460722 4749.841641 6412.983607 624.6972957 51.18626516 1551.983688 194.1544719 1034.377113 1460.290249 177.7108831 876.2961579 977.572576 3342.137664 7175.722553 4066.893607 6061.44434 6258.873125 8397.545582 3878.08946 3000.028523 8026.693014 3366.630218 3514.694202 3888.883118 2903.838072 2301.561027 466.6524534 4013.932424 621.6085602 4745.831272 3-Mercaptolactate-cysteine disulfide 512.0035948 565.2101867 567.0847823 922.6672402 792.126679 389.8226393 357.3137253 306.13451 450.2710363 86.98640848 68.99194701 733.0270639 118.0519172 720.06999 106.9734063 187.450174 4.07813e-08 132.0395139 759.8692844 530.9499413 846.3553315 457.9230183 558.5160511 1298.150965 452.3249019 264.6863238 600.0430833 324.5279444 90.05257002 691.4286423 4.07813e-08 208.7067337 309.8098094 494.7398865 269.472824 492.9451707 365.5080361 229.2595335 488.7420813 661.0588537 544.0787916 915.6776101 1270.271171 362.0053561 497.172974 553.4668113 390.6959988 484.4013819 804.1427788 650.2314491 487.1774336 631.9834676 224.0892421 441.9159603 Diethyl disulfide 26.57086598 39.20084069 17.15801723 7.303735669 19.29151758 7.868972032 10.59451602 25.80390259 19.03248357 674.9642633 7.299490753 107.4837141 859.4417247 249.0684371 58.76332563 19.28482703 14.64777479 454.8545599 19.80989487 14.13116251 12.78700867 12.37240717 19.46682533 10.18539537 23.85354504 426.1503183 110.5578554 11.21179273 1110.997925 187.3027683 925.1224211 77.15558465 22.65692351 1118.25816 23.25064613 423.4799532 399.0275556 7.474136131 9.981442457 10.07746153 10.95613031 9.539082737 14.50618422 591.4913245 9.080339139 242.7146821 5.325001812 17.53603475 36.52465823 136.6348274 1052.634126 30.95283713 273.4061361 26.22646363 Omeprazole sulfide 2.113325827 13.54551573 96.5371354 437.929433 475.1804856 82.03632583 192.7711396 5.336782319 5.24410579 7234.520214 6319.42565 4146.387113 6948.395418 3447.873439 4159.237831 2914.053429 4151.345936 6203.874245 259.0497748 903.5196784 247.8187949 489.7718036 590.8355236 291.967697 388.524382 467.2506178 756.5784791 3965.300961 5637.059475 4380.257059 4244.121276 5352.716905 3637.794892 3950.109243 2090.813176 4015.881794 78.57039509 353.8821539 221.2605232 461.0532847 673.4999233 386.5440193 121.8191189 320.9858594 740.5262693 85.47972393 0.272004986 147.9649818 5.314725177 65.53938837 5886.933743 132.1830879 5921.474073 90.69253815 Anigorufone 1574.404626 900.1837813 1405.741821 1712.305278 1419.761126 647.1060709 1544.987497 904.2498878 932.5377534 395.6015876 326.2373379 633.3480043 542.4801279 645.0885846 764.2115636 119.9939648 402.3427934 202.8818306 3236.306077 3845.204532 3141.231847 3082.839818 3693.228396 3929.852742 4425.205078 2149.96234 3593.637457 1123.318043 1368.584313 660.017329 1039.101128 1604.814073 722.9401226 1753.067719 215.0686985 354.8291678 2902.494154 2976.210016 2407.923472 2949.106387 3648.006709 3940.848915 3650.691499 1977.091258 4108.220141 3141.065129 2536.432723 2429.301485 2594.507012 1679.13942 1599.931887 2658.202672 950.1320486 3743.441439 Normethandrolone 2002.863291 681.7105244 1864.335803 3168.323301 1263.593368 5234.30367 3064.606118 637.5246518 726.8394337 315.8496765 754.9319712 4.07813e-08 283.3637785 4.07813e-08 4.07813e-08 442.2327081 4.07813e-08 4.07813e-08 3189.113248 1225.406313 2088.339014 3245.713962 3184.424132 6168.678387 1938.036429 3233.039691 822.8512222 4.07813e-08 4.07813e-08 188.6308302 4.07813e-08 187.327503 99.44790352 785.0136943 4.07813e-08 319.960835 4273.873051 1319.834878 2323.301868 1410.49107 4517.318429 1646.533107 6558.62686 1052.245752 2435.462758 1653.219152 3075.193295 2241.966175 1171.786655 1142.176449 95.17619647 1765.799002 424.7457338 2633.602369 Ajocysteine 229255.0673 216784.7647 233252.0758 215359.8734 232180.2553 234966.1172 235748.0545 215124.5785 223813.628 182173.7392 153074.8754 176565.6726 164848.8557 201834.1083 172451.9038 212185.0208 173310.7135 212445.817 174858.3892 180959.5991 168337.9963 191120.6324 191213.4274 196606.923 189880.2425 196385.4967 184089.5898 152998.3932 183700.0325 171409.6483 218460.2633 161132.2348 160963.3512 166211.0012 199583.1959 219094.4792 191386.5986 179382.5899 186493.9579 174245.3937 182051.4044 183185.7162 192230.7469 195122.1097 195349.0455 221206.4004 216554.0265 192597.4522 194352.3974 182155.7265 151228.7193 198993.2535 190230.0824 236234.1477 27-nor-22R-hydroxy-5alpha-cholestan-3,6-dione 1055.135669 1362.935329 5039.219775 2837.282287 1979.596406 6920.689824 6022.321742 538.962472 2201.63037 2955.482311 4.07813e-08 7227.215779 1794.608789 4838.417723 21836.10854 4362.451289 6822.15032 10145.13612 4612.761249 856.5336071 4246.850821 8975.573698 5014.392507 6313.414974 4220.705696 2312.047784 662.0211419 4.07813e-08 357.388201 1289.751175 11596.64772 1374.411143 1138.655715 10815.39886 4.07813e-08 971.799584 1102.059233 1810.981447 6265.016035 3076.799349 7695.372147 3926.195889 5226.147072 637.0846655 925.0890796 4197.190773 7517.80414 5035.149657 2440.263003 679.3129461 2332.34812 7197.967804 922.4048319 4.07813e-08 (all-Z)-8,11,14-Heptadecatrienal 237.8146089 319.1517321 1533.793524 1124.296229 4766.252776 1905.552237 449.7125396 246.3992429 4.07813e-08 3377.682033 2588.610725 1814.117734 2221.425016 1376.663126 1712.080051 4640.113616 1002.559578 697.9743358 1231.714484 1701.397404 438.645213 340.3394451 727.6145327 1029.662499 553.3455195 2039.087273 786.9324001 649.1926622 1226.706016 2030.045379 1670.698683 593.3116208 2612.788531 1926.367169 2161.103955 371.1324275 325.1573535 579.2716719 205.7198553 88.67686212 585.5242424 566.5540385 860.3090681 1207.615607 1663.217356 589.190901 1007.622955 83.21864928 260.3321374 99.20379809 1309.503615 509.8786844 3234.701483 303.9535861 5-Taurinomethyl-2-thiouridine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4684.34076 4.07813e-08 4.07813e-08 4.07813e-08 211.8792436 11663.50985 13578.37824 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8536.181798 4.07813e-08 16804.85503 4.07813e-08 9736.598373 5209.733619 4.07813e-08 9571.93934 8469.411901 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1391.718797 4.07813e-08 3634.50253 4.07813e-08 N-(diphenylmethylene) Glycine benzyl 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 1699.301548 1790.879001 2050.398559 2485.880213 920.9423121 3016.122655 2633.241067 1350.908368 2003.901337 4.07813e-08 120.1241016 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3.716220503 5010.909823 3478.494599 3910.045467 4349.240828 3612.453461 3056.885513 4038.490545 2558.363508 5250.049607 141.9367644 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 64.4450903 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3796.918242 61.30934439 2773.89947 4.07813e-08 Ampicillin 4.07813e-08 286.7965865 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11540.10171 9596.03718 5859.417153 11431.1442 5844.866688 6561.498798 4585.407125 7103.385771 9620.237366 4.07813e-08 110.8900501 4.07813e-08 4.07813e-08 4.07813e-08 375.0394236 4.07813e-08 4.07813e-08 4.07813e-08 6803.707679 7602.838816 8295.108702 7097.789711 10313.15853 6688.926803 7779.727156 3366.802253 7388.12572 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 206.211149 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 105.3416798 10169.98037 4.07813e-08 9476.139076 4.07813e-08 Cl-Amidine 6336.077498 5388.685386 5338.254698 5284.897902 5594.35832 6354.974535 5988.078009 7834.168792 7308.162145 6173.019413 5357.19996 7651.880201 6156.126732 5533.629622 5378.213572 3167.027819 3320.420876 6322.2459 13224.44627 12491.50436 10650.94533 9747.962184 14405.37376 13101.85705 11320.72217 10901.87933 13505.13639 5984.179166 6779.043653 5593.162656 4115.072768 6798.572654 6401.898079 7659.222453 3466.693587 6335.551692 6732.109683 8188.984695 7714.125782 10257.34097 10414.72866 11744.02517 11606.1887 12347.16108 16315.38315 10178.56241 11070.20604 9774.335426 7454.754258 6106.478258 7190.014785 8839.014744 4798.95738 10634.95807 Glucocochlearin 41352.90282 50287.36706 36658.03452 38713.58349 39836.75857 44484.65589 47174.62969 55041.50352 58606.81054 49644.01677 44081.244 42905.48255 45191.95726 52194.19118 49266.71452 47617.97044 42489.36091 55336.12542 31862.78632 32437.63772 29402.171 32640.29968 38861.72891 38357.52126 35931.40107 38652.15971 40028.54463 44274.55017 46019.88155 47092.17058 55975.81149 47660.64017 45252.25752 49189.61077 44453.75116 53580.79436 32891.60105 33668.40482 39039.36659 37083.15602 28432.49163 36228.21717 35688.54695 40933.28053 32475.24668 40402.96135 43576.06828 38948.91675 45080.48304 48872.42907 40324.52748 38219.55762 50721.46732 42629.22081 SULFAMETHOXYPYRIDAZINE 685.8686343 510.8640639 351.1659017 453.1392256 563.2042686 494.556586 791.7379696 160.6271977 311.5304015 78.32963955 29.63120475 28.8256874 80.06333403 4.07813e-08 4.07813e-08 4.07813e-08 28.60293664 35.45703703 939.1556903 2532.210263 1133.897563 2113.795458 3014.565456 1726.075526 1530.779146 206.7731415 333.8015816 42.8499177 132.5799646 31.65292326 10.64025175 155.5225522 4.07813e-08 70.45512557 4.07813e-08 85.98853489 507.9526971 1776.396165 1093.315553 1274.558287 2050.46636 2870.944402 1531.366846 133.0953789 808.9137321 2203.761654 637.6147184 1469.303868 718.767477 549.8636076 35.3565717 1851.503968 45.91850151 256.5305759 {[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}sulfonic acid 86.43836778 353.5920787 571.595686 532.0310344 995.2649181 893.5802398 1255.642582 630.6014015 702.1567695 238.5122227 268.0944843 766.9733525 580.3262929 112.5227381 116.621994 4.07813e-08 100.5432765 58.43189171 2785.991625 3935.526966 2858.276532 2494.303951 2401.087364 2737.456018 2158.56767 1153.688174 1935.968491 308.3671747 340.7921304 87.36737636 60.80990105 618.8098755 337.6560462 571.5616008 4.07813e-08 306.6805536 1081.023554 2223.965415 1181.715586 1912.688311 2856.431861 1925.002447 1645.523379 1592.150577 4742.836372 2625.810945 2040.658249 1838.727153 1021.790973 1612.498329 717.6338403 1772.37881 4.07813e-08 1753.33746 Mezlocillin metabolite (4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-[[[[[[3-(methylsulfonyl)-2-oxo 17.68803357 145.6308063 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 22638.01596 14463.69845 7704.865363 22358.10414 4462.687744 12532.68426 3319.91743 6862.245472 10113.4909 152.3476049 4.07813e-08 2240.66138 110.1833165 251.1390109 38.55884752 59.33589906 4.07813e-08 4.07813e-08 26292.22792 16522.50236 1775.963427 15899.4231 23861.98415 9385.062389 30240.03995 4276.781666 5855.730931 3223.073107 221.6130109 1691.426302 225.3564578 66.62411919 507.5498349 19.76895591 4.07813e-08 171.6516871 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 143.3133164 26758.88181 4.07813e-08 19060.9403 4.07813e-08 Prontosil 2179.070178 2421.08657 2217.150321 3433.469792 2793.433609 2660.828302 2910.381936 1143.635272 1448.594815 1893.354098 1791.977053 1229.908005 2509.733279 751.952944 1323.089909 649.2906757 179.5545877 814.2321671 3787.902405 3031.897707 3092.867618 2632.11751 2741.054152 3808.265469 3726.192857 1891.812274 2629.888325 1193.096158 1057.048503 1592.736382 1130.307371 1391.118621 1752.257004 2098.710761 728.0953262 1500.594085 2584.138956 3094.477154 2613.528972 3330.231405 3331.22097 3258.459749 3483.56815 2187.981308 3292.818322 2654.337762 2431.838764 2794.729523 1986.33652 2275.123009 1491.869365 2090.839407 1631.138711 2728.568732 Ranitidine S-oxide 1125.251884 448.7649361 1099.221695 340.3009288 1499.741577 714.2011194 1298.629251 894.4294142 758.3011119 76.42259426 169.206217 55.87029585 51.98930146 79.07499748 37.76234382 60.24488085 74.96682118 179.3476617 2904.844556 2097.717585 2995.218324 1974.051038 3905.224059 2609.703405 1915.872469 1872.100755 2348.072782 95.82548976 101.2293372 112.5732125 45.8883371 138.1557974 36.21787198 123.0147988 12.12006693 45.16795746 1384.720347 1602.899592 1459.633932 1746.221236 2036.570239 3593.986299 2112.37115 1940.748795 3053.543095 1342.765902 1832.755108 1367.074833 1511.127477 906.3797742 90.26041675 683.6201555 212.9503043 1859.738762 ID14326 149.4695545 1988.824532 4.07813e-08 912.6772895 127.9238253 688.7535257 1417.673534 3451.128805 5684.476838 2233.712453 3072.919118 1551.168252 2464.226371 2605.656191 3632.103539 2553.910144 5257.531965 5966.185237 217.9354964 112.5271657 831.5173034 4.07813e-08 147.105187 4.07813e-08 4.07813e-08 711.345019 4.07813e-08 2211.736193 4070.244135 2888.34885 2919.94192 4571.250251 3670.966116 4597.827208 2469.356603 3278.221156 4.07813e-08 4.07813e-08 108.3844207 120.1063315 4.07813e-08 39.40774219 4.07813e-08 617.5998136 186.9299732 4.07813e-08 571.6394817 4.07813e-08 976.7889216 3348.470604 1614.113883 811.9884456 2235.386387 165.7689787 5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 999.1739696 5478.556959 1131.856318 624.8097892 3568.709937 567.3215066 2047.636701 462.5779602 2535.486591 68.6971753 4.07813e-08 189.1838376 4.07813e-08 4.07813e-08 88.1428562 90.2268473 4.07813e-08 4.07813e-08 4.07813e-08 840.1376598 1167.4739 79.87969675 1316.480574 79.77495496 298.8714558 139.6686482 299.4755313 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 142.794596 121.1456948 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 427.0641048 4.07813e-08 732.0296566 4.07813e-08 4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan 4.07813e-08 22.87344901 423.4232875 2.766257576 194.1128697 397.7980835 4.07813e-08 153.4840731 4.07813e-08 78.4713134 368.161332 30.4133697 194.5367636 50.11980047 33.21091069 1572.785912 682.3445926 285.9415196 108.1648164 266.0424056 263.2376559 97.73988755 777.0338906 4.07813e-08 238.1909152 96.53420984 759.9464007 822.6215747 22.7128785 186.1404208 4.07813e-08 804.496548 41.72655788 66.44801182 19.45309026 78.17915745 16.9340487 189.5725305 291.3446597 2.616959015 33.71448688 79.65123275 154.0711439 520.3898946 938.0692529 768.8369798 4.07813e-08 24.2539772 29.81891813 95.50370888 317.5309953 48.03669156 1806.814094 759.8786438 CAY10581 712.0909208 856.3579671 973.5327385 885.8417229 783.3681339 688.6597655 1593.172083 624.4624743 2691.453048 1269.932344 476.3844182 993.9704711 1518.171845 559.5834514 1220.882713 358.6555547 1147.886958 1152.579763 1711.986523 2906.792519 2003.717006 3429.927325 1846.233342 1862.205677 2304.89392 2920.509532 2502.073304 792.120276 877.4968886 976.8145368 633.3101127 1378.391828 997.3365015 1251.648191 434.6009685 563.2575483 380.3447328 3114.120774 1757.139673 1797.382378 3642.963503 4820.502879 2743.461964 1018.005307 5119.00004 2138.201649 1526.745578 361.1349923 2217.224252 1852.580769 1548.908789 1097.068433 876.3401463 1018.920477 Thiolanilide 56.0277707 255.5386086 51.23751214 4.07813e-08 440.5376339 118.5894738 176.2050979 305.1277206 194.0461615 3306.417039 760.9311766 871.1263087 4132.136417 52.89356277 34.69057721 888.8654039 53.26273389 2191.954479 4.07813e-08 41.94675104 209.5526324 4.07813e-08 55.8094827 4.07813e-08 693.7300375 9732.46102 388.770584 2667.918371 2059.681659 1647.087742 2661.625573 2838.815377 6992.695227 303.6737778 916.4749778 2505.561514 5098.736519 4.07813e-08 53.47705456 261.8342337 4.07813e-08 67.97090075 39.4711213 10687.37616 344.6042535 698.5438518 4.07813e-08 34.59232212 149.4297121 1215.553519 1401.036516 343.6485394 1408.299541 4.07813e-08 3-O-p-Coumaroylquinic acid 451.1146164 484.8036294 654.1391135 394.7475699 106.4241092 558.4909513 700.4873177 276.235886 83.5046019 5520.963286 6595.460516 1749.40689 6043.321493 2181.613909 3470.239619 1163.337498 1635.739323 2953.97206 385.9756731 514.6553224 584.3234565 505.1194244 686.4627997 409.0350215 626.2878224 281.2261388 231.2862806 4826.919837 5129.576633 3405.73487 3164.709053 4635.262531 2341.671973 6422.376581 547.0235328 1244.58572 4.07813e-08 491.7975876 388.520356 286.7190827 213.7168953 1115.012749 454.1977462 260.0234871 453.7992968 310.0682592 332.1304833 401.9950754 200.1644479 667.5910874 5892.210964 179.7891245 3130.66992 223.8000892 [(3-methyl-2-oxo-4-phenylbut-3-en-1-yl)oxy]sulfonic acid 4.07813e-08 523.4118613 23.59623052 26.07996381 4.07813e-08 729.4107584 4.07813e-08 51.24165196 331.0457103 4.07813e-08 4.07813e-08 19.09965065 41.84011635 165.947059 4.07813e-08 4.07813e-08 4.07813e-08 2329.137635 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 31.11838679 4.07813e-08 4.07813e-08 52.55542473 28.85490115 17.71354792 16.73403005 80.09782784 29.58114979 4.07813e-08 4.07813e-08 9.405362225 760.3239703 4.07813e-08 4.07813e-08 13.07506603 71.5136312 14.63722834 37.87081298 4.07813e-08 4.07813e-08 4.07813e-08 79.41099531 215.9587796 4.07813e-08 466.7745049 452.5408242 5819.582746 4.07813e-08 4135.273771 2120.502125 Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside] 4.07813e-08 106.2104674 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 56.3215174 4.07813e-08 3149.184323 5279.440352 1565.097295 3076.199901 452.2759932 14774.9296 18774.29523 6303.028881 2225.214971 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 104.2803018 4.07813e-08 4.07813e-08 3409.29997 6716.353984 945.2483624 17546.70459 1182.540957 3542.925025 12753.65967 19731.16945 7646.991518 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 91.17518765 4.07813e-08 4.07813e-08 1526.375819 4.07813e-08 3660.366771 4.07813e-08 Myxothiazol Z 2257.105663 7185.98921 1206.908636 1226.202958 481.260231 598.4064783 2303.541747 6897.711645 7219.373099 14368.59526 9141.022881 11603.21145 13817.93881 6288.769501 5754.331792 3475.323118 12939.91103 28481.97252 1301.947224 1062.752338 2936.477777 1683.386348 599.3956826 591.810503 2400.335822 789.6472024 805.442324 6943.180726 10267.63807 8112.076397 11510.16132 10415.7457 8637.984452 24313.03286 10776.13665 10692.27604 10123.09243 4.07813e-08 1418.489381 210.6052691 415.0133243 1639.857684 611.0274846 4.07813e-08 1647.77262 4.07813e-08 4.07813e-08 487.7598057 1816.954689 4546.052451 16581.21986 2038.498412 14919.00017 814.8188479 7-hydroxygranisetron 5524.797264 8218.909928 3147.246253 4250.15204 4532.328888 5345.19302 5818.580779 6005.924448 8644.230797 1178.809961 509.9906108 620.9847265 957.9893397 294.0450387 536.7785042 454.0222718 469.7776929 985.9247686 5020.32458 4715.53686 5480.99607 3043.855228 5529.82871 4772.46551 4659.636107 5606.697899 5072.255059 692.8491662 306.3234671 506.1387905 66.66637326 807.5695211 177.0610389 822.3816751 122.3709454 200.1425899 2916.370863 3981.930589 3782.812856 3731.490532 5231.487 5116.0345 3999.416029 4386.635463 6678.276966 3707.26645 10308.47728 4607.559594 6635.006535 12077.67583 1483.555294 5484.537568 923.396927 5264.677187 Fluconazole 2295.837444 1814.676945 2899.581552 2393.624509 4279.032564 3100.827802 2445.537799 4055.718983 3208.302685 243.3286601 113.5215225 144.35933 220.7296603 174.2400406 58.54292704 34.41485542 7.337412903 66.85600818 5616.003792 5523.978473 8145.027163 6747.221425 7730.659346 5786.241475 5677.480664 5485.007265 6757.216342 14.23016788 59.90878852 36.14632663 4.07813e-08 86.25822153 47.28271154 23.11828287 30.59399539 18.83798382 2553.212752 4294.871949 3711.962188 7016.926221 6026.878209 5077.816523 5570.245721 5245.302168 7476.90686 4977.603666 3368.063027 3892.340829 3077.055909 2763.065172 13.94005804 3143.209005 4.07813e-08 3714.455147 DIHYDROFLAVOPEREIRINE 1370.771939 390.2732068 4.07813e-08 297.8990689 4.07813e-08 455.0502326 217.3040666 138.6087149 178.1691286 1447.253417 2926.51591 2788.058117 1657.09592 367.3730091 753.05328 720.4385226 3665.730323 90.62830238 144.7728877 210.204967 139.9116966 127.2449061 471.969998 371.3747991 4.07813e-08 4.07813e-08 263.9132731 2147.143705 5346.512026 3900.645924 1259.264927 1490.488898 2183.461395 7077.212686 4837.984996 4.07813e-08 2451.241534 102.1431765 103.7151163 132.1145006 324.0188137 406.9947312 157.1751163 247.4492937 185.3362925 155.2185823 143.408626 235.5714046 645.1675517 852.1972227 3644.642916 275.5127894 3296.884725 93.99783986 Nepetaside 4.07813e-08 4.07813e-08 4.07813e-08 181.68876 4.07813e-08 4.07813e-08 4.07813e-08 108.1834052 4.07813e-08 1125.667471 8526.607996 1390.152691 766.9687943 1965.419057 1793.385292 10764.57234 58049.70321 1136.971951 859.9557102 791.1126038 914.7053984 146.1571726 570.8404954 146.317281 585.8855281 687.8866679 893.2497673 6463.325366 2531.197346 10320.93487 1426.842813 8786.368258 6771.85036 5390.855969 24626.06876 31442.35914 519.4344182 4.07813e-08 4.07813e-08 450.5349607 280.9302179 1006.973344 301.2596555 4.07813e-08 938.1693936 4.07813e-08 114.6879551 100.283566 4.07813e-08 159.6959134 7226.336861 344.5992479 21919.74232 752.6646129 dihydroergocristine 276.2792889 931.4202348 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 343.9617715 4.07813e-08 12663.52673 4701.740216 23657.69109 14323.84089 28401.19242 7208.064895 8708.82043 3426.885658 22360.66358 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1461.684277 2808.303401 1393.67923 1782.709494 3222.561488 1652.731987 2560.41131 967.9019056 5372.391263 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 246.2742044 4.07813e-08 4.07813e-08 923.4666461 4.07813e-08 4.07813e-08 795.5273958 4.07813e-08 17359.61345 4.07813e-08 938.7413795 4.07813e-08 24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol 13586.29382 28092.72484 25460.82239 59656.97435 47217.55913 23867.56658 64000.95038 37585.87136 18925.81626 19077.84231 5040.751423 22240.60098 19733.7317 15317.79337 37338.7192 7232.588183 18870.2254 45374.56349 23445.43453 32077.70273 28871.86558 59148.92847 55703.49634 40476.82904 57543.93152 23176.22714 39549.65238 39775.97645 5055.42557 25480.48543 3959.393144 1432.454455 11945.53618 7238.393404 10161.78828 10728.44992 23079.27821 32756.37961 26494.43364 70702.83403 58334.95674 50617.28789 37788.26974 19123.96689 47225.3002 92074.16811 35057.94622 49648.29844 26630.43911 17591.86818 10174.15074 24183.71196 1093.140741 32461.6862 Ophiobolin F 4.07813e-08 2100.174093 4.07813e-08 4.07813e-08 239.0664738 473.55558 443.0228618 4463.053585 2672.564079 4543.477995 5295.361742 4.07813e-08 4803.323701 4846.796196 8491.097769 1378.653694 4.07813e-08 42620.61748 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7828.544709 9075.855412 11155.88717 30006.26733 5685.775451 5348.284166 4.07813e-08 23627.29944 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1621.46779 96.76288731 3134.220344 3550.406799 27041.5511 206.6282382 4559.296035 1433.367837 3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone 394.6578643 1186.226315 228.7158608 283.3752781 167.8033191 126.6751103 624.2469955 77.37048619 92.00034056 15126.65515 12254.05254 7058.55441 15117.25173 4298.863485 13985.97439 4738.611296 3309.416931 2141.504312 212.3171613 302.6539255 143.8385591 206.8167027 301.7661155 138.2280616 184.4101753 84.07705344 114.5624154 5422.144242 7306.515766 1049.782239 6745.408247 522.8768908 6773.37908 6940.294578 6643.143043 3088.920823 677.222047 90.60578288 56.41497919 108.6563315 202.5759322 164.3360116 176.9807555 106.94289 369.9827957 95.53688055 33.78768266 70.63762673 51.39072935 62.66133585 3573.182381 61.27783332 7035.592972 114.5051754 BW 245C 979.2760743 1293.857026 3595.034326 4986.433683 4884.820243 613.4254946 154.4712227 4415.400011 1140.584495 644.8565793 2089.436345 4508.585319 1024.222758 4610.607031 1526.056418 21857.205 12535.06117 3229.335592 2065.671195 2.917593943 2563.794716 355.7343202 3045.850753 983.7845225 19.57320726 1532.300221 752.8678497 4045.423037 1201.574256 5061.94792 568.2548505 982.474331 308.4775102 1287.510391 11785.58594 4107.507579 541.9869778 1020.824372 1371.836443 2929.204235 1613.27812 1245.064895 1284.78887 876.0336088 313.3548029 0.328268432 229.0783039 1083.980478 958.1674036 923.8821023 15.78111636 1050.461193 840.5377085 975.7403746 Goshonoside F1 4602.953748 4645.217625 4738.617109 5971.931838 6898.058899 4904.252788 3786.228408 8559.911776 5153.718406 4.07813e-08 30.97753797 4.07813e-08 4.07813e-08 4.07813e-08 609.9473194 4.07813e-08 4.07813e-08 1811.462814 4.07813e-08 4.07813e-08 4.07813e-08 460.3513974 221.251075 4.07813e-08 245.6903625 673.7934728 904.6021253 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 816.1131302 781.527571 4.07813e-08 546.20136 702.5724546 1205.311411 572.4656713 4.07813e-08 184.6096372 4.07813e-08 4.07813e-08 0.091358747 4.07813e-08 4.07813e-08 1397.794085 norfentanyl 2253.678676 1342.918285 2109.677595 1446.568795 1985.001651 2200.000943 1897.294597 1889.055443 2210.338012 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 3484.343975 3913.340852 2466.593107 2579.6673 2763.248933 3287.297076 2549.559794 2720.092711 3285.592712 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1234.487307 2999.804335 2273.884474 2794.210261 2787.008347 2457.59875 3141.029455 2645.019038 2410.8346 2141.53508 1895.359086 2585.884406 2141.982633 1087.965744 4.07813e-08 2358.706034 4.07813e-08 2580.613931 Sativanine B 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 509.6762786 4.07813e-08 2152.79468 8707.718188 4.07813e-08 16449.64289 6878.0311 6131.085635 131130.4678 5139.992238 4.07813e-08 4.07813e-08 4.07813e-08 758.3406051 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 5261.975339 4052.219087 2087.633631 3551.789443 2380.376591 4.07813e-08 3334.287559 25833.53601 463.6992124 1532.425567 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26.8584596 4.07813e-08 4.07813e-08 4.07813e-08 11219.9505 596.4076981 1517.938133 751.6543794 389.107038 4.07813e-08 1604.759134 4.07813e-08 Dipiperamide C 17866.20671 14268.0363 18667.57522 995.7279048 351.7594231 23479.24166 1947.72977 26096.14705 21318.68094 14335.24815 3639.905903 91149.35839 15887.3582 102773.0319 85068.86628 53637.90909 80762.42113 98633.46068 14744.68176 5715.882437 18998.40914 8361.955787 608.3515931 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 55142.6752 81586.38168 10652.4921 62221.77038 22269.16851 12395.0763 71879.46977 75215.88906 32865.40427 21075.29635 2325.810889 26114.92589 5098.758215 779.1470035 3099.540124 4.07813e-08 4.07813e-08 4.07813e-08 23641.45519 56088.18869 25882.50664 39102.85504 12587.93793 24371.83321 34201.70704 6964.799499 14775.66753 Desmethylranitidine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 279.4647206 4827.671684 4743.758745 261.7057221 3881.301168 4365.889093 14767.73703 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4811.531456 4.07813e-08 2838.010866 4.07813e-08 1600.203755 5547.57121 1644.223453 6626.019838 3664.744676 277.4928701 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1936.658154 4.07813e-08 710.5277491 4.07813e-08 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid 2347.927475 7541.000743 1185.051011 4.07813e-08 873.3162937 1996.361754 4.07813e-08 4739.913217 4096.325515 12566.16731 3215.741113 9580.138873 8275.73055 5383.583687 4.07813e-08 14967.6746 6998.366991 13744.71146 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 10316.55285 17427.37628 6783.346295 12599.2373 6928.651379 5208.488181 10451.36907 15633.62566 10011.94492 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 9860.556814 2702.663081 11197.04303 3526.572853 9752.913837 4193.315891 7293.655433 7540.759375 Thiolutin 10523.11748 4797.239808 3564.083569 2882.936264 1315.810315 3640.53675 1698.444401 2482.333965 1555.631087 2110.976227 1470.912685 6061.298505 3442.824742 6095.332457 13873.52625 20351.485 14441.78095 23271.22574 224.4792233 301.0769731 554.185515 645.495255 531.2526322 146.4857917 1203.57945 339.2504273 408.5164559 2263.030706 15635.13529 2637.77334 10705.49728 6676.064727 3767.253965 5449.614099 14174.56614 17232.60448 6267.549398 4.07813e-08 4.07813e-08 314.585216 346.8177638 1569.134079 485.339792 156.7792315 324.2161866 3456.135974 5145.87109 4897.474448 4845.249998 8084.951907 3199.982218 4270.232633 4295.653536 5814.615223 Metsulfovax 8451.24836 12102.23936 2835.493317 5914.102523 7565.318419 2277.654106 4712.063005 10803.70347 15291.2318 5695.584843 14503.76653 2815.418168 5619.760034 6338.304275 7196.928573 11902.25639 5162.635048 7436.301979 243.0307465 119.5325183 935.3625567 908.2611129 1172.089459 92.8302295 688.5655364 535.6699126 393.0605341 12221.29774 7392.243573 7417.722214 16618.11104 3221.675958 7618.93982 4206.303439 15397.59118 5791.246978 1250.948452 1217.840412 1752.303545 635.3448553 870.9942433 951.5092508 389.9611714 302.0195438 1598.760609 1126.5792 2755.973943 2950.005441 4798.859182 6479.050299 1798.394259 2632.73606 22205.02953 2248.396556 Aspoxicillin 53397.2199 83283.34681 71708.08379 65786.34103 51569.46751 36914.42067 68577.48891 166918.1925 250294.6449 42443.23591 47901.96571 30321.59787 29529.60386 27369.08257 34368.48803 23725.46866 13873.03569 37645.28344 11459.85624 12656.68626 18500.76771 9042.893736 2915.672364 5218.686491 16012.80692 25049.27431 16145.41798 79748.13007 32450.71399 30958.10662 49978.8339 36954.135 24104.75041 69867.79299 19095.74756 38821.02235 10504.96429 9889.235062 21980.57269 11607.0615 6944.98515 8703.75946 2416.854191 42576.67816 3179.784867 16896.08491 56396.00635 48840.6424 51448.95945 126397.24 19006.24834 74482.62453 80310.04688 47875.1314 Glabrone 7795.991971 10467.08763 16394.58527 9077.802906 5381.398377 11858.49559 15546.28001 12752.60389 7189.054985 56662.52983 51838.31514 38953.53721 47752.47912 24556.81331 29206.4266 8230.311226 3228.667791 4605.682974 7140.81027 9632.94786 10406.9814 9629.396984 7780.966298 17356.42177 6252.778151 17081.64317 10447.26423 29395.51183 59139.73984 24075.11257 47487.45796 15665.14657 20866.51948 17788.46996 58994.4944 18414.87978 6445.46254 7455.189881 7882.625785 7884.897438 9754.075657 6658.696219 20568.79824 25053.37138 8127.002842 24471.44988 5664.39993 8414.282607 3658.845824 5410.106332 18011.38859 6239.599208 72927.51047 8478.858695 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose 3546.212404 10080.54653 1713.927667 1594.224846 3374.889466 3137.058006 17123.06235 4872.625565 2261.547604 9294.188502 5614.582831 2614.990465 8253.576323 2699.857406 6354.988731 2927.161255 4909.288449 7978.444035 1980.704315 4.07813e-08 1322.76669 1065.010888 716.7348728 2418.213748 4131.001241 3948.077424 2807.221566 7551.603411 9625.916752 3530.448633 8421.773528 12481.65246 5530.774109 5817.24238 4730.052166 7831.951506 2367.022574 895.739281 2679.096463 2775.930581 615.0636063 915.6976778 2656.312804 6250.589721 1444.674454 3001.659619 3586.469228 1954.863326 7005.856619 16216.74275 10708.2256 7315.919712 6264.494871 13464.68761 Mono-N-hydroxydapsone 199.4151372 674.5845337 153.0575341 77.21177222 463.8211149 133.4335243 216.6070011 866.468917 1250.078588 72.80421552 173.7362946 499.2545013 89.44988737 973.3901133 290.8263268 875.9467889 1464.641513 318.8956841 531.2282771 625.3984423 382.7409236 515.0797962 411.8740747 553.5923287 404.2642431 5840.300605 3394.1295 1352.145416 1313.536081 1303.520684 2923.051727 1614.77505 841.6994262 76.50657604 1557.01268 2810.67139 265.2034973 379.2656005 360.4002476 274.6059607 781.5250833 595.3812524 4.07813e-08 4197.215623 914.0369377 160.6925648 292.5540804 468.2417817 688.465994 272.634885 731.8052754 222.530111 1581.141397 900.8196706 2-hydroxy-4- (methylthio) butyric acid Calcium salt 16669.31449 19709.93923 10175.51971 10468.25106 9494.93516 10379.7098 16962.67224 23590.4498 32453.38907 13420.79005 12822.51214 19379.54221 13812.67367 14755.79391 14824.81535 16995.27432 18613.75494 27647.18676 5432.2271 4918.640043 6914.716302 2885.786298 5694.848293 6429.7383 11344.3281 8893.833683 5754.192843 24542.46806 18268.51915 24072.63067 39400.12389 17105.01071 25756.73207 15049.37442 20492.23087 20442.84792 12529.91542 7560.735621 6874.034862 7983.249622 6364.404226 4823.35484 10131.86015 9724.678297 4239.212034 13266.92505 16928.12055 16256.81389 12523.34039 15084.88735 12161.94781 15528.66725 27285.87471 12539.71883 Dimethipin 4.07813e-08 4.07813e-08 4.07813e-08 101.402424 56.88132209 4.07813e-08 135.4898595 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 868.6133993 1078.176863 534.0051096 541.0334142 949.2897225 588.4533351 782.4751413 531.848904 939.2580089 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 147.0658971 748.6882496 187.0771538 799.7255096 860.9599437 492.7451853 746.7433492 357.836717 995.8751668 643.5084039 239.0200451 731.7385386 231.8041978 191.7967009 4.07813e-08 412.0387788 4.07813e-08 571.7032865 Ohioensin-A 1336.963871 894.1615687 1932.004919 1304.159047 1219.676463 1651.071369 951.6437401 1634.170091 1100.484485 725.4351848 374.4446822 557.8919622 662.9914892 131.7821785 144.0228503 4.07813e-08 204.9447499 4.07813e-08 3072.406409 4315.031304 2410.120168 2545.832055 4346.640579 2452.489726 2234.667946 3911.207803 3676.009107 419.3155476 847.850898 463.2761092 133.5645553 1101.086872 55.08044532 523.5100041 163.947199 213.3925578 2159.013415 3674.605636 2444.205014 2315.54738 2861.607284 3134.340898 2071.662903 4314.967988 6100.955833 1946.406907 1683.437273 1876.758164 1901.269373 1616.651669 754.0186582 2396.683572 4.07813e-08 2135.582702 3alpha,7alpha,12alpha,24-Tetrahydroxy-5alpha-cholestan-26-oic acid 678.1139015 3259.787323 7950.749357 7267.947923 7922.202009 7117.766007 6923.708087 6254.533205 5787.861628 4.07813e-08 4.07813e-08 4357.935807 4.07813e-08 1922.480414 8410.402259 6680.906081 16375.58951 13175.63841 4743.376689 3011.457393 5143.619993 11043.65944 8219.409131 7748.732868 4868.984257 4790.216229 3485.793738 4.07813e-08 460.3941712 212.2192029 1121.229424 185.592454 172.4190499 782.5635346 1373.380982 4.07813e-08 4686.245617 2450.604065 6494.172211 8629.681958 11948.4344 5101.610689 8191.535781 3908.496375 1944.370012 11505.62589 8085.86876 8064.371975 6068.085681 5880.852326 649.4792996 10069.79527 0.459508671 2341.688963 5-trans-PGA2 1188.604104 2019.96261 1036.220997 445.819475 600.9625638 1305.115657 2054.073149 4.07813e-08 2142.104009 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 747.7386939 615.3478475 2180.895546 4210.980277 1190.559623 4391.630286 4420.27179 3295.253479 2852.256766 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1068.15897 2237.200259 1626.728202 1623.188299 2228.753964 2714.200563 1779.915907 4.07813e-08 4.07813e-08 2678.475248 4266.360493 2532.78881 1469.359381 292.9446055 1297.215498 1906.978006 4.07813e-08 4.07813e-08 Integerrenine 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 7735.543117 16210.32206 2651.814272 960.5877269 18852.79863 4087.977362 126019.9653 380454.6469 33718.93213 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 288.895208 4.07813e-08 4.07813e-08 4.07813e-08 2579.543402 971.2578754 1240.96406 2880.500613 528.0303177 295.0410334 4.07813e-08 29811.32018 3542.269896 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 615.180375 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11996.77826 4.07813e-08 hydroxyrepaglinide 3114.251235 13745.13759 32446.94657 21727.06872 21635.49419 44395.03279 34781.47561 36312.07408 29727.97742 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 46010.65432 33329.23977 31600.49006 19459.90172 24313.80571 23071.7142 24815.93355 16313.04094 4765.457928 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 29401.97467 9625.809198 26994.4566 16683.84754 24577.68595 18616.59193 20676.56105 12319.49634 3305.869211 64585.66998 62451.64374 50843.40888 26703.12483 12784.74283 554.6470809 48765.39067 4.07813e-08 30845.45208 (2Z)-3-phenyl-2-[(sulfooxy)methyl]prop-2-enoic acid 4360.99188 4365.222516 7082.083122 5181.564413 8647.98065 4010.62637 7202.323222 5886.969715 7269.837038 2412.35307 5706.701667 3835.236856 5472.505613 6987.6826 5122.852831 6431.089996 5308.774848 4734.170709 3852.469445 5942.079487 4745.150271 6346.61239 5648.246028 5081.458986 5289.404744 6130.475066 4483.048245 4906.866386 6172.669866 3328.212938 5794.635768 3588.305413 5678.88671 5884.736317 5525.718463 4858.539692 5441.898478 3872.92717 3543.961909 5416.373944 3928.977749 4533.814451 5918.17806 4116.964326 3627.156184 5897.283195 5387.982032 7072.764341 4422.494435 5955.484584 3680.540514 6260.880405 9625.552304 6576.644939 Lesquerolic acid 4.07813e-08 4.07813e-08 574.2442094 2435.611837 694.6825416 624.7295263 4.07813e-08 175.7253424 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 225.6254139 4.07813e-08 4.07813e-08 4678.307602 4125.776049 1264.414583 3507.27322 2311.809529 5213.507295 3247.204875 4367.220083 648.6990226 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2363.53689 165.9174244 421.9680142 3757.649164 635.8088259 2862.226158 4601.412789 4157.466849 1141.266071 2325.584214 644.4926817 4.07813e-08 4.07813e-08 4.07813e-08 1563.378147 4.07813e-08 544.5601691 5-octadecynoic acid 143.153396 383.3380932 938.2207395 1711.715111 1060.39791 1519.450813 166.8262687 129.7155949 448.1349967 146.351456 4.07813e-08 4.07813e-08 100.423189 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2535.349927 2992.455146 984.2478399 1649.621855 787.1972277 3624.568988 1309.918342 2089.269553 922.2255841 4.07813e-08 4.07813e-08 4.07813e-08 159.1094213 4.07813e-08 113.1181394 4.07813e-08 4.07813e-08 4.07813e-08 372.278854 1769.222248 335.9495002 751.3858992 1379.353748 285.3776271 3418.4562770000002 1670.632324 1799.866445 1156.446243 1814.036224 1767.773867 4.07813e-08 4.07813e-08 4.07813e-08 1228.400652 4.07813e-08 1358.289201 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate 4.07813e-08 305.3313489 3867.152132 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14228.64765 14404.34499 4923.69688 13340.9863 6980.734899 1939.828011 23750.28153 12796.09197 3088.265999 103.3581393 751.1312378 143.5208809 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2696.689051 4.07813e-08 1403.698362 4152.761279 11428.52132 767.9266913 5895.707428 10582.93311 459.0261039 16752.4771 3237.672285 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1399.247343 4.07813e-08 4.07813e-08 4.07813e-08 2398.196317 4.07813e-08 684.3354338 935.152334 1083.654758 7281.256034 4.07813e-08 8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 2229.217168 1069.591968 1576.408376 1214.870619 1204.275609 1055.263962 1318.415685 1928.674151 1824.154829 631.8401265 510.6315229 403.7579799 577.6306264 76.07657965 202.2635527 257.782545 94.18018007 642.7172995 4470.714518 5772.047873 2973.882152 2716.430748 5049.666828 5434.44665 3659.872319 3513.293547 4696.299407 598.063862 461.4245224 532.2782132 443.3212779 5996.742268 3184.517001 936.4564925 4.07813e-08 4415.805569 3139.322142 3539.000136 2388.013181 2786.244129 3708.54965 4949.101081 4942.746728 2705.677534 5179.221203 3514.100393 3377.932683 3159.217005 1972.789193 1651.637351 1202.402582 2348.141495 222.0930015 3991.243142 4'-Hydroxyphenprocoumon 1592.714239 1532.449186 517.6709588 689.3005625 1082.928805 1113.894572 1711.834429 1585.854762 1057.611403 593.9689093 203.462824 4.07813e-08 351.4761788 117.5015536 110.0380792 4.07813e-08 4.07813e-08 91.47316381 3876.579364 3617.220837 2870.266564 2308.780703 3896.737246 3918.943542 3230.080028 3959.449879 4210.629375 247.8436928 190.6305345 4.07813e-08 4.07813e-08 223.5146633 139.3943312 304.0894387 4.07813e-08 4.07813e-08 1528.133152 3061.190331 2248.384861 3342.515221 2858.868518 3549.63554 3432.328976 3336.159704 5490.25423 2592.255688 1934.817915 1983.993461 1338.16547 1770.639431 309.8258009 1696.686634 103.5996036 2325.470841 Atracurium (Quaternary alcohol) 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6268.689839 11288.89854 9290.202433 7296.802311 25926.18707 8139.532947 7863.369986 12120.10226 22848.25067 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2244.263869 11636.6329 14154.59728 5655.982803 28987.76975 9120.687541 5942.251503 2497.24844 14624.38565 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14242.10846 4.07813e-08 298.7664387 4.07813e-08 CHELIDONINE (+) 2734.694183 2195.034247 1654.3804 1719.985413 1918.59508 2099.440411 1707.733374 2876.454131 2512.417733 1079.729516 791.4292457 475.277755 1369.972553 418.5065945 658.0777432 210.8485581 1071.859287 1048.582266 3678.733717 3928.247831 3278.16355 2971.912131 4317.336876 3137.608047 3198.251605 2510.051647 2972.856321 478.8656691 1072.769831 597.9198337 359.1893266 1107.191181 768.5548568 638.7276873 402.4960243 521.3965943 2568.299893 2549.94527 2350.759163 2739.840163 3737.626036 4040.736199 2639.742411 2346.20705 4100.58319 2441.027889 2121.418852 2588.311785 2075.247362 2152.219145 1248.253697 2397.588889 490.5587414 2145.073895 Bikoeniquinone A 4.07813e-08 4.07813e-08 4.07813e-08 12.06860327 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4609.955239 7315.31204 806.916715 2556.029416 2350.557478 4017.673376 4383.478244 16527.33997 17.88515179 66.79320957 4.07813e-08 4.07813e-08 2.144437423 4.07813e-08 100.7903144 4.07813e-08 1.468186152 4.07813e-08 12861.55777 244.3411664 12396.30303 2031.638335 21008.96196 10819.2453 7971.517996 8836.150407 6607.310241 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 68.02750483 4.07813e-08 16.8524145 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8.556961611 7.333106528 13831.69332 4.07813e-08 4410.679104 4.07813e-08 cefepime 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 85.00774918 4.07813e-08 5549.664238 58249.82814 15263.46257 4138.490319 27085.65366 958.0850098 15358.61751 1960.485293 25357.88743 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4375.836112 18537.6452 390.7363435 11099.37375 161.8064563 76.80611485 4.07813e-08 3498.826056 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 50.11813009 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1411.288318 4.07813e-08 8237.804533 4.07813e-08 Sulfamethopyrazine 778.825333 701.3727935 529.6016019 790.5678775 431.1933245 579.7268854 1116.098683 575.5733122 808.2152326 389.232809 183.9506628 179.6281835 302.3140733 106.684999 156.4132736 4.07813e-08 231.3074854 96.96073358 1578.491948 1781.767971 911.7748152 974.0542045 1079.477451 1004.774065 806.9739415 669.2025142 802.3014357 144.2877771 172.5643085 50.07502991 77.02117399 220.1327966 38.34042727 301.0579634 36.51812207 89.22363915 637.8735234 1137.353645 781.544858 913.8795273 1275.186249 1262.472928 949.4978974 243.7780464 1481.918562 524.3246644 584.678911 798.2837311 942.2642353 830.1504565 248.8716042 967.4609216 4.07813e-08 708.0281279 Acetylbrowniine 9579.826853 22735.09258 5239.516726 10781.12698 3174.166961 4336.437896 8775.869087 23886.6259 35966.40533 170.6918576 379.8938856 257.1475571 314.2112961 450.893904 491.9724626 484.2698088 270.6551334 302.222488 4237.19404 840.235593 2848.675987 396.9311393 1243.027366 1618.880638 985.8462829 420.0534605 1367.429312 33.98259554 218.1683972 4.07813e-08 226.42016 4.07813e-08 103.0877048 16.68023999 1440.32374 154.0242923 2987.722654 3898.26596 3906.147689 2168.713061 396.6594369 4.07813e-08 1282.831895 4.07813e-08 4.07813e-08 460.5044997 5030.52249 5839.3931 10102.22591 16221.78673 137.4110933 5962.535921 4.07813e-08 3396.093457 Pinocembrin 7-O-benzoate 630.0299196 1187.883898 529.8467914 131.5580666 393.8244309 637.4030863 1932.554997 1641.336656 81.37466887 1463.280458 4.07813e-08 106.1576769 992.4112025 88.36541448 562.5192072 9.673887099 271.0095307 1995.901194 2285.832094 4413.692051 2745.900925 1745.649032 1829.588419 2184.617362 4032.655231 3764.417326 2607.64712 635.0763435 474.1875659 10.08090599 297.5788859 481.1171331 205.7962213 1066.331509 141.4231162 430.6399729 909.6181224 2254.365135 2211.26903 3826.812543 1829.083615 2400.767936 2391.955417 3034.652453 4969.773494 3083.998063 1025.221453 1868.754285 2477.083548 2483.862061 2370.191192 1490.350561 746.9750573 1987.072574 Oryzalin 2493.391264 1777.954648 3329.076963 2907.990814 2414.248648 2959.463348 2489.682413 2597.966437 1551.683307 1449.492222 315.9381233 31.39817478 1003.797844 186.9128201 758.43236 81.9223511 656.9082534 420.8449195 3524.152207 3571.022245 3047.484482 4177.666605 3785.132837 3780.951764 3924.547743 5767.107142 3858.229267 147.0014398 211.1919133 79.39663737 298.0718844 4.07813e-08 4.07813e-08 973.5101876 103.0591644 797.5547457 2530.914698 3178.289478 2991.49576 3777.002645 3936.753437 4450.751711 3085.279784 6125.870459 5640.358622 3034.193126 2319.385699 3317.812353 2321.610942 2162.880814 2388.480112 2535.4031 4.07813e-08 3357.163773 R-138727 2250.944057 3836.945682 5822.09308 9253.545227 10008.45175 5311.079701 2436.472236 5001.297678 5326.557932 442.3399849 359.6947156 513.6953515 769.702028 267.3694669 92.1309989 4.07813e-08 1050.229879 359.2255831 8972.758463 7376.671603 5728.243667 7675.35098 1971.473988 6619.606058 3585.883208 11536.96756 7525.901829 195.2058092 163.8496413 430.018838 4.07813e-08 142.8497679 121.2866712 533.2687248 394.1412811 4.07813e-08 5328.153232 4155.337407 4276.745833 3780.732477 7124.089657 5685.906534 4859.389603 9919.652069 8688.208126 1410.117492 4875.975324 4741.68366 4346.544779 2804.91777 564.437957 3911.025007 376.3511597 4576.174428 Cafenstrole 5554.644886 2789.09223 7203.832016 7605.690175 9246.00768 11659.33928 9937.040257 3822.377876 5203.945632 252.0133294 177.2000051 203.1372468 355.8032852 4.07813e-08 53.99442001 99.04559524 4.07813e-08 456.7528628 11636.78448 11325.92259 13758.0222 13026.17788 16436.38072 15603.83682 16634.72235 7268.019637 10362.48456 72.60709794 162.6918742 38.72435226 58.90448695 173.3522892 37.98894952 89.56709853 4.07813e-08 4.07813e-08 6860.093272 7076.362802 8988.355249 12898.51462 17624.16357 15524.65945 13061.89102 8741.196005 10261.33643 17149.86607 8818.243129 11366.56958 6952.748038 7398.095737 1118.782533 8682.924153 207.8289898 9282.351213 Cellobiono-1,5-lactone 2497.800324 1097.587402 743.1260607 1249.87924 1018.447872 1370.756208 1805.812521 1432.610668 947.7320429 4.07813e-08 56.32238921 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 864.8349591 1237.113438 848.3825387 1672.822811 1141.728878 1376.67006 1203.124671 2377.123391 2288.053985 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 573.1872406 1332.063455 1155.278092 891.1790002 1066.530012 1696.908125 1246.435505 1742.064365 2992.454296 94.71011574 880.2005493 577.3785964 1337.428946 375.9215156 4.07813e-08 992.4151709 4.07813e-08 1407.051263 9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one 852.6601108 890.2274225 798.2063546 973.796232 669.974103 1381.334588 926.0635431 863.6873026 777.4804989 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2138.699975 2161.803751 1763.857064 1812.733922 2099.683095 1526.415393 1787.675388 2848.929374 3122.578578 5.173334225 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1559.325198 2114.847041 1477.771883 2315.125872 2515.778447 1969.541255 1333.893034 2366.241639 4124.872065 719.7476218 723.9052166 994.1039534 1148.895085 868.5592194 4.07813e-08 1272.654057 4.07813e-08 1326.794632 3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid 525.5063211 446.0929931 374.378022 1406.78789 1363.978246 540.2805699 1528.69969 747.4746273 679.2587445 394.6384516 242.0121132 72.76328776 403.2233745 4.07813e-08 167.1706921 4.07813e-08 4.07813e-08 4.07813e-08 2890.116746 2748.884261 3109.533412 2473.304085 4992.527839 3510.340375 3253.716969 2272.258285 2455.858805 447.5445815 760.7737342 162.7340337 4.07813e-08 4.07813e-08 251.4541567 401.6449102 4.07813e-08 325.7608761 1551.726358 1402.164501 2296.541597 2563.947222 2809.562647 4553.978012 3834.374876 2632.410229 3200.276527 3548.739153 2339.829614 2023.613162 1776.459134 2514.838922 890.8656203 3202.484646 525.685151 2605.698143 6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone 4.07813e-08 937.607347 176.0337539 143.4419533 4.07813e-08 4.07813e-08 4.07813e-08 106.9424075 163.1829054 2652.386003 982.0605643 1104.101424 2980.117207 1362.837959 1490.104829 409.6761053 587.9060726 3872.698513 4.07813e-08 407.4084294 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 244.1742324 115.7867393 4.07813e-08 623.7676715 2033.11817 771.9787401 965.6832771 1482.692944 1795.636624 1193.381533 172.0102325 1308.924614 4.07813e-08 374.2450602 4.07813e-08 4.07813e-08 147.8377644 167.3064502 4.07813e-08 165.2157062 737.765119 4.07813e-08 4.07813e-08 316.7909531 4.07813e-08 349.8624949 1841.225115 192.8094845 1781.986729 712.7342171 15-methyl-15S-PGF2alpha 4896.647566 3341.845886 4705.260186 5420.599093 5865.57574 4245.049379 4401.878341 4502.176316 4372.599431 662.3262907 319.5621636 110.6662197 514.3296135 723.1305466 257.8788799 618.5203201 4.07813e-08 176.7871503 8083.949925 8102.911958 7111.021541 7257.184072 9033.663139 7730.18823 6639.586609 9692.235127 8071.346131 4.07813e-08 670.1491068 4.07813e-08 4.07813e-08 607.3518909 4.07813e-08 4.07813e-08 4.07813e-08 291.5719253 4630.191032 6007.368422 5494.061981 7984.201163 8700.134943 8850.857376 6379.220789 7936.367577 11013.08397 8111.699319 6324.664297 6244.436856 3490.836196 3456.156859 470.8998444 5293.165956 4.07813e-08 5199.418006 GW 6471 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4792.126408 4.07813e-08 4.07813e-08 54.4534484 4.07813e-08 18782.77851 55020.7106 91.63518621 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 361.5186259 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 26405.85755 4.07813e-08 12569.65188 4.07813e-08 18489.50297 14212.41208 4.07813e-08 45716.41407 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 106.8685135 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 17120.15853 4.07813e-08 Chicoric acid 3875.920261 3520.364434 4329.33416 4087.171567 4045.918597 3907.952038 4157.227613 4410.290217 3932.599439 3301.974204 2569.763784 3868.393731 3558.338645 2752.357071 3217.131216 3887.894365 1371.44001 2796.257648 2526.224867 2437.123003 2940.639414 2461.304451 2954.976071 2320.277132 3946.372154 3082.798735 2823.204511 3425.012916 3315.668898 2846.905106 4655.264726 2591.046774 3316.51552 2886.013239 2697.786214 2996.369203 2910.635146 3921.116531 2268.21332 2568.30631 2425.268181 2627.949261 2970.57657 3471.762819 2970.397535 2639.542082 2881.415408 3248.188745 3060.196925 3359.591984 2572.967196 3498.89572 4103.763205 4349.226497 DEOXYGEDUNIN 2.070354725 4.07813e-08 0.022162946 4.07813e-08 4.07813e-08 155.1453792 4.07813e-08 10.87742051 4.07813e-08 10079.50542 16841.73466 17821.86755 9663.607461 22574.2332 16944.65896 16896.14007 10893.20973 21233.45842 384.0239117 361.2397844 898.4535942 677.7151604 164.033059 959.903771 4.07813e-08 218.9566597 200.6236439 4347.025002 9144.904672 29922.52517 6697.273666 17310.56636 10913.78971 4735.996606 8763.249631 25358.80794 4.07813e-08 366.07416 166.8429988 4.07813e-08 500.1810458 169.7088601 4.07813e-08 232.2249897 1711.17275 4.07813e-08 4.07813e-08 171.3096017 4.07813e-08 146.3331692 12638.64881 211.1488833 7047.274058 4.07813e-08 1-(2-methoxy-tetradecanyl)-sn-glycero-3-phosphoethanolamine 4100.631867 3048.86407 860.8318995 574.4510958 193.1284066 384.5885913 2843.774113 6761.209039 4834.863376 932.0450805 698.6682725 4.07813e-08 429.7592801 1964.733264 4.07813e-08 4.07813e-08 4.07813e-08 601.130169 417.8015026 4.07813e-08 339.9867613 1828.864368 353.6177389 1013.143213 1489.425872 437.0094309 1242.620675 4.07813e-08 209.0196635 4.07813e-08 4.07813e-08 158.1670177 4.07813e-08 196.8340604 844.4464509 182.2326102 2973.362449 2963.934289 1498.604594 1099.295426 1694.311422 1108.816745 434.5268331 1154.813837 316.6140995 4.07813e-08 4.07813e-08 602.3142874 2661.336973 4006.071826 562.7106403 776.2976632 424.4855588 542.4133244 9R-hydroxy-10E,12E-octadecadienoic acid, methyl ester 5547.685814 2167.265485 3669.436485 4903.335107 3233.475914 4305.170982 2931.845339 1057.061539 2685.464867 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 40.74550988 4.07813e-08 4.07813e-08 7538.716738 6323.695815 1252.589363 3348.66019 4513.91106 5179.008187 4343.472339 4176.334921 4077.831136 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 195.2894081 4.07813e-08 4.07813e-08 4.07813e-08 2352.621454 6278.971773 2358.311998 1674.471196 3366.608908 5211.122481 4177.27674 4796.42473 3462.573185 3470.8138 3020.821135 5888.845907 3252.027935 2059.099394 4.07813e-08 2367.228316 4.07813e-08 3203.188708 Ethyl cellulose 4.07813e-08 4.07813e-08 4.07813e-08 749.495764 3250.061702 210.0263937 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2.279494485 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6.23076086 9.744412359 4.07813e-08 3138.924669 171.7649847 270.5274833 580.4697968 1146.831973 3822.384 642.4472935 1099.923532 5164.629922 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1671.302364 4.07813e-08 4.07813e-08 130.849619 4.07813e-08 1495.771066 2006.985702 2446.152628 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6889.742112 5-Hydroxyriluzole 11537.04428 12366.25329 12524.14834 13629.73388 12526.90571 12640.34842 11640.20113 13099.83048 13068.31262 9537.055638 8606.728591 8583.91394 9588.211873 10027.01451 8786.700182 10696.93019 7993.623531 11334.00557 7781.341862 9807.588902 8016.659149 7461.930857 8434.138064 8171.865208 9592.147464 9656.21023 8876.739144 9020.744814 9487.120455 8920.835278 9936.03805 7159.686356 9073.278011 7635.037641 10670.09348 10969.88894 11096.75638 8318.645001 8632.205896 8282.954174 8936.407095 7987.823426 10236.72117 9925.810293 10726.75343 9358.6247 9514.335649 8803.517603 9461.201319 9084.27922 7719.268772 11086.2973 10132.23259 12247.41837 [4-(3-oxopentyl)phenyl]oxidanesulfonic acid 549.0529621 1517.674278 334.4592512 898.7595641 217.2742921 955.8241686 287.8269592 721.8557744 2437.804874 13402.69497 13134.63992 15844.6088 14941.79802 12507.44238 10547.78888 10722.03407 12066.42994 27689.87792 402.5116199 292.3286177 578.2503532 125.9840055 349.8154239 198.8937805 1005.022336 623.8524143 353.0579372 31055.24689 13401.3804 11441.12089 24655.54617 12750.85489 15149.86922 12521.18992 11017.30714 13690.1426 741.7755658 180.742251 222.0907347 412.7336523 417.0190063 650.7980478 247.4372549 479.935296 999.8259889 52.84344476 952.4881055 553.2245388 1595.063177 2648.762163 15672.90636 977.6312259 33496.95287 956.5741994 2,4,5-trihydroxy-3-[3-hydroxy-4-methoxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic acid 2535.587429 4692.745802 3239.619724 5891.148436 2155.785974 3501.224183 5397.711478 5009.485617 7769.345757 4728.147811 8885.795235 7872.52036 2953.843481 5002.997237 6950.16934 7070.228971 6656.975744 15525.45754 4.07813e-08 4.07813e-08 852.1016708 4.07813e-08 2049.116757 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1357.957012 4066.37396 6969.410512 15458.2298 5102.062188 6091.847086 3431.417234 8626.279191 10054.49902 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1354.626407 5172.212731 783.4105754 1761.435458 2669.209154 1836.769944 4690.039094 15260.04052 4314.736007 Fluvoxamine 3898.54237 3246.006371 1836.611996 931.0674047 2112.908341 890.2763814 1404.728916 567.3113044 1747.106507 1509.872715 1634.841381 1644.416288 3140.294722 2324.894801 1690.38183 1994.737155 107.2880997 1864.666092 10505.98841 5000.003961 10263.77792 9476.531742 4088.371324 6323.220678 7429.3722 13083.10341 8811.071161 2231.893899 2557.213864 3316.322183 1775.95946 4401.958194 4016.273016 1409.158938 1129.215435 3862.042334 8178.832364 3538.526555 6009.089241 6297.358362 6428.517604 7886.387533 5903.421449 14149.94355 8773.848131 4949.33324 4750.170673 5453.400309 5583.084498 2374.731758 2388.932597 3660.882877 958.6407128 2873.471641 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, carboxymethyl methyl est 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 14177.43245 21417.25098 21602.6658 13103.46244 16029.48392 26301.18389 16204.24907 36315.1777 53329.43432 54.22875082 4.07813e-08 4.07813e-08 23.5576179 519.7516638 4.07813e-08 495.5713609 4.07813e-08 4.07813e-08 12152.88414 27817.17135 14016.58885 19977.94339 24066.28254 9691.689373 11294.00104 12941.17396 30650.50079 4.07813e-08 4.07813e-08 44.55185025 30.93142196 862.4531293 134.416938 4.07813e-08 4.07813e-08 218.7334675 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 978.8086251 38147.7752 596.8090124 12408.56618 4.07813e-08 3,3'-Dithiobis[4,5-dihydro-2-methylfuran] 18921.04534 26363.08866 19180.82193 25253.84064 16075.19135 10873.01828 8526.69364 24906.30995 28577.31915 9011.533718 3295.227983 573.4211643 11351.94357 544.8155406 743.1574902 321.9080148 2451.340485 10810.81629 14212.5915 3280.706116 11781.72152 13828.77718 7635.71528 3807.846081 10645.53198 3805.821045 4669.988163 1250.508667 1744.685922 1061.691684 806.2611189 4.07813e-08 948.3367869 1114.67683 578.5912152 4.07813e-08 16567.7299 12633.88896 12612.2365 9123.150911 13293.66023 11811.74294 3237.32278 2614.08124 8916.15144 3290.087307 3278.488594 7211.08757 13281.86101 13486.07838 3544.081715 8908.038045 1518.267556 5341.656828 N-Nitrosofolic acid 3595.298367 6051.921993 4844.226615 7759.724713 1308.50401 4211.781429 4886.827649 3812.403807 4975.807741 16295.74781 11173.42458 18384.6413 16333.85052 17232.8817 12037.62517 13550.41282 4505.197124 11180.01552 1642.258762 482.7969536 1905.35871 1273.846555 585.1914004 851.0825485 1488.308241 4.07813e-08 4.07813e-08 14485.43011 16724.30101 19109.65928 10857.08969 13998.0889 17941.44953 15720.61628 12072.92626 22404.01645 3669.680618 2272.153259 3498.884714 6496.153876 2407.965192 485.6955774 750.3108848 4.07813e-08 968.3543079 758.8553959 657.70276 4939.145673 2494.537798 7830.383805 16136.10515 2926.674142 15358.7738 4.07813e-08 Dutasteride 879.4402115 6156.014784 4.07813e-08 568.3018613 4.07813e-08 1293.751821 3698.336852 1531.890038 1652.161259 25384.63504 18625.38584 16064.85956 23988.75705 16537.33867 16493.06142 9024.186158 8127.950571 25705.69125 4.07813e-08 185.3886457 4.07813e-08 4.07813e-08 4.07813e-08 132.9902033 4.07813e-08 6868.556068 206.9007874 18079.29635 25549.65796 15330.85162 13347.6145 24768.78764 17965.21736 24650.20289 6706.166639 13651.29642 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 6886.511619 1185.312728 4.07813e-08 4.07813e-08 4.07813e-08 1253.035388 5542.487697 27114.96104 184.295121 18528.63366 1215.885845 N-Acetyldehydroanonaine 615.7625547 356.1669942 119.5780084 218.5946556 221.1436052 134.6344668 234.9681362 264.5374263 155.1351149 4750.818783 4570.071184 3605.301789 5315.639026 3956.574108 4322.376081 2928.43928 2918.041039 4658.091011 401.8616186 430.4833612 838.7982001 436.5058196 617.9631482 332.7200335 291.675775 250.229022 237.2816686 4131.013548 5128.316343 4671.913674 2837.555695 5521.242946 3837.574077 4886.679989 1911.374597 3318.13672 857.5652525 331.8521277 421.7571158 19.05027338 110.5167764 501.3431646 215.9337756 606.2510891 578.0854422 458.742327 214.1106967 117.3271009 147.5128837 218.3583377 4381.034919 577.3543925 5163.3909 148.9469447 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone 1261.864096 2293.777514 1433.922575 843.7310752 383.3370929 636.8002845 215.6637217 5253.604541 2504.143843 68.83623754 4.07813e-08 1029.996137 48.82159339 199.3899478 145.5365146 4.07813e-08 81.5106423 31.2883329 1997.14887 1389.472055 1058.968935 497.4060858 294.1038637 1482.374635 976.8139537 43.78536249 33.79402908 20.72194411 4.07813e-08 4.07813e-08 4.07813e-08 56.70756738 82.16135412 4.07813e-08 15.75190918 46.67947838 967.5758454 1082.227651 844.1455535 1647.017967 1385.825984 1078.620294 2674.723605 4.07813e-08 45.75853234 4057.527173 1546.575587 7631.610712 3520.059351 6675.411765 30.43121714 4279.18879 120.8075805 1350.144945 2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-ethanoic acid 359.6535645 1478.931275 5441.818507 2696.127676 994.8661363 7499.888246 6261.727512 1362.221966 1818.247216 3637.073419 4.07813e-08 6841.293001 2438.703581 2330.930986 6496.757358 3586.38693 5234.417914 25865.82036 10545.68587 7807.259845 6435.679497 11789.45709 11905.68447 17732.52915 8557.32246 1320.916299 6166.993563 4.07813e-08 5492.72393 1348.453739 8509.068192 4.07813e-08 263.5290937 6267.540323 220.0119098 2900.809129 3315.890993 8004.097924 10046.93128 8370.848252 14356.30015 7976.162203 14074.00996 1434.591297 5014.056636 18470.67701 10769.63547 12084.22278 3107.785791 747.6938164 2528.316684 10887.47015 2315.205582 2857.641223 ANDROSTERONE ACETATE 3014.047485 1190.484692 3344.36504 1776.536469 830.5136022 4176.16214 4413.58427 2060.63449 1850.786812 318.974793 205.2923118 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 8520.012714 8039.333044 5573.324998 6427.131876 7793.641539 7860.827159 5222.089973 5731.80863 5198.428344 4.07813e-08 371.5594816 4.07813e-08 4.07813e-08 601.0796191 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2258.637128 6440.198956 3061.516182 5283.621135 6995.793309 5656.07156 9454.537907 3510.573838 6790.253722 5146.811061 2867.255441 4637.711851 3146.994984 2281.098237 139.6245954 4882.232608 292.5241601 4265.163058 Adrenic acid 4.07813e-08 4.07813e-08 397.7238522 954.7213537 233.2661768 985.9955731 1801.299813 496.4339729 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 1297.892175 1650.132681 744.1543758 417.1223541 681.4263765 2421.905476 273.8149278 4903.225881 5027.11644 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 353.5636375 757.5236382 730.3606948 1043.664467 1632.170146 238.1746962 2214.092968 3263.869913 1265.4533 6712.259205 1514.535992 1556.827138 1110.5553 190.8387331 4.07813e-08 747.7899243 4.07813e-08 2983.598066 11R,12S-methylene-octadecanoic acid 1728.906483 1579.723237 3509.081661 6147.95749 3744.554007 2053.753335 1160.480898 2172.005565 1162.253877 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 341.6631692 1326.872219 1503.386765 2364.952911 1398.457596 2658.979426 1999.846528 485.5949597 185.1096155 873.9860481 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 185.0275423 1988.98559 163.7949731 1418.805374 2478.214915 1004.035267 1999.955723 170.1120152 1647.009182 339.309869 617.4381858 791.9611089 403.8958734 623.3152091 4.07813e-08 746.8587108 4.07813e-08 1051.52369 Myricatin 226876.7087 215746.7432 225323.7587 223321.0156 215393.9599 214253.0279 216587.8981 225543.8517 231820.6113 182449.9581 163107.872 171148.2317 167906.6297 211257.3243 162094.5544 224539.6888 163548.4669 205613.3064 164423.4133 174840.0416 158401.2658 173721.3226 161074.8529 157118.957 175207.9707 193719.1162 182793.6876 158335.8428 186946.3179 178813.1136 206940.6445 160396.3274 174715.659 165997.0174 193340.6348 219144.1575 181296.1889 170824.2117 171661.7975 152272.8595 154445.5852 169222.3412 177807.6702 182892.6547 189290.3434 193758.5439 190568.2293 188524.1585 180990.5855 175748.8849 145215.7659 175255.0476 191023.7903 223919.283 4-Hydroxyfurano[2'',3'':6,7]aurone 272.7442456 59.24558975 210.503023 102.518182 129.5440782 133.9672035 303.2469745 279.3348568 100.5237035 4.07813e-08 40.82849017 4.07813e-08 143.9952855 4.07813e-08 36.82374809 52.38730808 32.67668213 4.07813e-08 1790.632319 1605.122381 1488.33703 1246.278432 1474.687454 1365.260895 1797.287347 1969.500808 2083.352653 167.9577048 190.6189686 43.87248212 83.96193216 262.5623136 176.2934137 359.247707 4.07813e-08 55.58574155 1027.500294 1185.820867 1095.436859 1570.775325 1630.103115 1772.472552 1479.160126 1796.670747 2603.231285 1120.394378 832.1397673 1207.247866 790.4931076 960.0417726 318.8029114 1108.732182 134.904608 961.8348031 4-Methyldibenzothiophene 1587.811461 1423.423982 3733.047898 3117.777623 1774.753954 8416.121443 3636.115807 6441.625176 5148.070055 14.61334775 4.07813e-08 43.53214482 46.34789133 35.84618149 27.79792116 73.18934854 13.05893725 450.5847455 2933.137298 3074.226856 2396.277858 1372.55678 941.8881454 5525.131464 2149.481458 2371.612195 3539.304 10.43129634 21.25587568 4.07813e-08 84.80994025 8.28155769 57.78740683 4.07813e-08 4.07813e-08 4.07813e-08 893.544057 3116.244216 3669.959495 3134.683566 3890.956998 860.8304752 5853.333429 3353.419964 1075.56071 11593.10565 3838.617759 6004.506371 2702.436321 2017.033561 35.09884246 5358.05582 33.27000447 5351.252409 3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(sulfooxy)propanoic acid 324.0019447 368.7261643 689.4446476 737.3958137 573.6455167 1146.479705 978.8322787 685.9279497 873.4388342 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 68.64312725 4.07813e-08 4.07813e-08 137.1935381 2110.132023 2386.020939 1000.156395 2386.285905 1790.011176 2048.735265 1316.711201 833.3213442 1456.612538 4.07813e-08 4.07813e-08 79.89293519 4.07813e-08 157.5987953 4.07813e-08 4.07813e-08 4.07813e-08 186.9932704 1022.943048 2129.383597 1156.589668 1565.328572 1050.199321 1628.789989 2008.08509 761.8013903 2335.030111 1940.288522 2080.465761 1693.927848 1043.929636 1103.319115 4.07813e-08 957.8654786 4.07813e-08 940.5661813 Osmaronin 20042.4204 19612.92276 17557.7994 23701.95827 38482.36989 25830.88704 22361.71798 22632.80866 33125.28063 4163.154201 8168.904916 4874.248379 5084.260585 8153.291505 7367.625754 2418.555989 8559.688115 11280.9866 44140.35112 41552.44827 30413.03024 30272.74543 41148.41385 45896.20816 36749.59586 30928.83157 46659.52165 3850.449922 5071.573239 2027.373133 3698.274783 3921.898134 3513.122686 3501.332835 2547.04875 7892.186151 21596.97195 29089.4378 29139.25717 28698.30639 32522.00963 45897.85943 41054.61027 29254.45661 54063.88999 28681.29888 25322.11885 30204.58772 25888.39804 22003.83038 6709.341972 30754.12218 2832.748469 24496.94824 Wasalexin A 15.94854555 36.63345283 11.77406314 95.01485725 132.9179477 57.64548445 56.3060106 91.87266726 67.31003608 795.8571272 665.4898412 1024.969615 901.1752885 1725.567643 446.9362168 1052.700322 1521.726629 612.4172412 17.32634267 103.5069541 4.07813e-08 4.07813e-08 4.07813e-08 133.8090949 68.07666128 36.93071726 25.425854 445.9883041 1386.195627 2127.263525 1258.2561 1259.518605 1747.035652 791.8462461 1800.411273 1762.090467 122.3387347 31.27946574 33.12590335 61.7452772 55.08097494 4.07813e-08 76.60854773 62.27309194 45.80999538 19.00592591 60.24061944 18.88417549 58.7969317 21.86929467 1011.005026 24.07338822 434.405008 37.82400833 {6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxopropyl]-2-methoxyphenyl}oxidanesulfonic acid 14053.51759 8774.995775 12937.03146 15783.09021 22873.72524 16910.49706 15109.74993 13776.26144 11090.26025 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 23921.54057 19041.12675 19370.33533 20209.40942 24929.12166 24128.01294 22287.56761 25789.12382 21897.21485 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 11356.0949 16886.88428 17465.02813 20631.67613 20509.74183 23244.53419 22858.38479 23814.7085 22960.88542 16420.33058 14819.61036 14951.03043 15051.88933 11936.38985 4.07813e-08 17160.8695 4.07813e-08 20415.57215 OOB-PA 578.4492744 777.5372586 1555.131653 2500.866773 3623.980633 2201.271178 537.3754404 375.7895639 1133.764407 764.1721167 303.8844051 1451.835017 917.4972074 1344.639144 655.6426055 2117.765661 1318.514152 4.07813e-08 2025.556673 2541.831567 2335.512141 1500.024858 3277.52305 1223.110537 2423.656405 1824.223482 2326.300082 1388.20952 376.1962352 3047.471102 963.1931291 1232.678474 2414.981629 990.7684852 1829.191403 2252.4447 1291.994991 1199.977886 1175.967923 1937.999513 2101.816412 3303.264612 1847.070929 1298.668906 2337.005166 3966.374004 3445.9202 1839.019214 2313.633256 2265.685856 1259.041173 2805.723046 1331.975888 2589.187603 13-epi-12-oxo Phytodienoic Acid 397.3747475 4.07813e-08 309.2463773 635.3036271 4.07813e-08 429.0672814 621.8718538 150.2882663 242.6577132 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 2666.281879 1706.413551 1344.383039 1757.912748 2566.799144 3001.74258 2192.025904 721.5969169 679.8521535 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 887.415298 2653.542544 1979.426879 1620.213745 1866.837166 2239.738634 2070.0283 923.831287 561.6415686 1350.913012 1178.878899 1991.335692 411.3267439 682.4551112 4.07813e-08 1771.956767 4.07813e-08 539.7783181 CAY10415 4.07813e-08 4.07813e-08 875.5324985 4.07813e-08 552.953858 189.4543752 4.07813e-08 820.1184173 2165.808395 4.07813e-08 4.07813e-08 715.6075042 4.07813e-08 2177.523725 194.6201688 1324.972251 4.07813e-08 4.07813e-08 4.07813e-08 1643.017042 1498.236591 2340.909468 1691.50524 4.07813e-08 4.07813e-08 4858.719755 2713.524988 444.7284627 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 4.07813e-08 649.9314204 136.8197755 381.848345 4.07813e-08 1099.23011 3104.603813 4.07813e-08 4.07813e-08 3254.913587 5537.930833 4.07813e-08 4.07813e-08 4.07813e-08 750.132651 179.9691876 4.07813e-08 926.520973 4.07813e-08 4.07813e-08 Dithioerythritol 7561.729284 9832.721628 8066.603741 7722.784719 7505.146682 8024.315014 7304.332897 8457.648325 8224.442575 6383.748603 5907.216572 4974.441426 5439.013743 5662.689515 3766.202271 5713.964914 3411.293083 4967.182322 4413.155086 6930.84231 5153.409215 7293.825153 5858.440842 5550.428938 6737.093123 5663.262141 6734.251008 4533.248774 7536.419562 7905.064244 7800.374875 6509.681061 5000.360618 4761.980186 5572.024217 8181.877813 8960.713801 6099.042481 5959.098182 5558.805164 5817.885259 5221.035777 6688.913867 6009.518696 6643.11392 7797.610196 7321.373058 7169.459881 6183.511796 6595.285366 4489.176709 7043.64842 6746.065585 8930.594399 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) Mirificin 593.1521924 5.34725 LMPK12050008 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 56.1 87.9 M+FA-H C26H28O13 1.821686415 Nicotiflorin 593.1521217 5.712733333 LMPK12111734 Lipids and lipid-like molecules Polyketides Flavonoids 3 Unclassified 56.0 87.0 M-H C27H30O15 1.561638666 Uridine 243.0621511 1.008516667 90 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Unclassified 2 C00299 55.2 80.3 M-H C9H12N2O6 -0.444789946 3,4,5-trihydroxy-6-{[2-(3-hydroxyphenyl)acetyl]oxy}oxane-2-carboxylic acid 327.0723091 3.058383333 HMDB0125162 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 55.1 79.6 M-H C14H16O9 0.467797657 ferulic acid 193.0499175 4.972966667 4156 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 2 C01494 54.9 82.2 M-H C10H10O4 -3.683707382 2,6-Dihydroxybenzoic acid 153.0183482 5.194383333 HMDB0013676 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 3 Unclassified 54.9 84.3 M-H C7H6O4 -6.388501636 1-O-(2-methoxy-4Z-hexadecenyl)-sn-glycero-3-phosphocholine 554.3469093 11.94526667 LMGP01060043 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 54.8 76.6 M+FA-H C25H52NO7P 1.112755951 3-METHYLORSELLINIC ACID 181.0498919 4.548783333 43818 Unclassified Unclassified Unclassified Unclassified Unclassified 54.8 81.0 M-H, M+FA-H C9H10O4 -4.067063265 Guanosine 282.0844775 1.070166667 87 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified 2 C00387 54.7 77.8 M-H C10H13N5O5 0.301513904 3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}oxane-2-carboxylic acid 443.1567618 5.6454 HMDB0132964 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 54.7 85.4 M+FA-H C19H26O9 2.201315352 6-({3,5-dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 501.1467014 0.766866667 HMDB0124743 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 54.6 85.1 M-H C18H30O16 1.180882273 Inosine 267.0736851 1.086733333 84 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified 2 C00294 54.6 75.2 M-H, 2M-H C10H12N4O5 0.716165808 Xanthurenic acid 204.0295303 2.768466667 5841 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids 2 C02470 54.6 78.9 M-H C10H7NO4 -3.418708781 N-Acetylleucine 172.0970726 5.2635 HMDB0011756 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C02710 54.6 81.5 M-H C8H15NO3 -4.877424467 N-Acetyl-D-phenylalanine 206.0817335 5.596366667 5498 Unclassified Unclassified Unclassified 1 Unclassified 54.4 78.4 M-H C11H13NO3 -2.575384489 Baicalin 445.0780775 5.763166667 49507 Phenylpropanoids and polyketides Macrolides and analogues Unclassified Unclassified C10025 54.4 75.5 M-H, 2M-H C21H18O11 0.99194561 7-Ketodeoxycholic acid 451.270682 9.634266667 HMDB0000391 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 54.4 75.5 M+FA-H, 2M-H C24H38O5 1.365684138 Xanthosine 283.0685829 1.51095 HMDB0000299 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified 3 C01762 54.3 75.2 M-H C10H12N4O6 0.616871743 3,4,5-trihydroxy-6-{[4-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methylidenebutan-2-yl]oxy}oxane-2-carboxylic acid 433.1143825 4.8402 HMDB0132712 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 54.3 78.0 M-H2O-H C21H24O11 0.800785783 Caffeic acid 179.0342331 5.07435 HMDB0001964 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 3 C01481 54.2 80.2 M-H C9H8O4 -4.161499965 Hexadecanedioic acid 285.2074166 11.06006667 5642 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C19615 54.1 76.3 M-H C16H30O4 0.990967695 N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine 302.1358825 3.605533333 HMDB0039423 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 54.1 76.1 M-H C12H21N3O6 0.40741229 Licoagroside B 431.1199976 4.9897 HMDB0036523 Lipids and lipid-like molecules Saccharolipids Unclassified Unclassified Unclassified 54.0 73.8 M-H C18H24O12 1.152107584 Salicylic acid 137.0232473 6.48195 HMDB0001895 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 3 C00805 54.0 83.4 M-H C7H6O3 -8.47844355 3,7-Dihydroxy-12-oxocholanoic acid 451.2706675 8.936933333 HMDB0000400 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 54.0 76.1 M+FA-H C24H38O5 1.329817352 Aspartyl-Tyrosine 295.0936437 1.9526 HMDB0028765 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.9 74.5 M-H C13H16N2O6 0.28320324 6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 369.0832362 4.66925 HMDB0128041 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 53.9 75.7 M-H2O-H C16H20O11 1.329275633 N-lactoyl-Leucine 202.1078251 1.22085 HMDB0062176 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 53.8 78.3 M-H C9H17NO4 -3.232162289 Norrubrofusarin 6-beta-gentiobioside 563.1413717 5.28065 HMDB0034570 Organoheterocyclic compounds Naphthopyrans Naphthopyranones Unclassified Unclassified 53.8 72.4 M-H2O-H C26H30O15 1.275607165 2''-O-Acetylisoorientin 535.1100806 5.512683333 HMDB0038816 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 53.8 74.4 M+FA-H C23H22O12 1.533488957 Narcissin 623.1625127 5.763166667 LMPK12110586 Lipids and lipid-like molecules Polyketides Flavonoids 3 Unclassified 53.8 77.0 M-H C28H32O16 1.208259923 gamma-Glutamyltyrosine 309.1094837 1.681866667 HMDB0011741 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.7 78.5 M-H C14H18N2O6 0.882855508 Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside 769.1993003 5.679016667 LMPK12110328 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 53.7 76.7 M-H C37H38O18 0.989858897 gibberellin A2 395.1715576 6.0533 LMPR0104070003 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 53.5 72.0 M+FA-H C19H26O6 1.188361132 Kynurenic acid 188.0345916 4.514416667 HMDB0000715 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids 3 C01717 53.4 82.3 M-H C10H7NO3 -3.835525696 L-L-Homoglutathione 320.0922353 1.57935 HMDB0029395 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 53.3 73.7 M-H C11H19N3O6S 0.172639332 L-Tryptophan 203.0819 4.085066667 33 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives 2 C00078 53.3 75.5 M-H C11H12N2O2 -3.435594507 Lepidimoic acid 321.0830503 0.781 HMDB0041096 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 53.2 72.7 M-H, M+FA-H, M-H2O-H C12H18O10 1.024280164 3,4,5-trihydroxy-6-{[4-hydroxy-5-(3-methoxyphenyl)pentanoyl]oxy}oxane-2-carboxylic acid 445.135714 4.48 HMDB0127784 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 53.2 68.9 M+FA-H C18H24O10 1.409930907 1-Octen-3-yl primeveroside 467.2137299 6.395766667 HMDB0032960 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 53.2 69.7 M+FA-H C19H34O10 0.781103327 O-Desmethyl-lacosamide 281.1144454 1.61365 HMDB0060855 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 53.1 73.6 M+FA-H C12H16N2O3 0.635979924 3alpha,7beta,12alpha-Trihydroxy-6-oxo-5alpha-cholan-24-oic Acid 421.2600093 9.397783333 LMST04010262 Unclassified Unclassified Unclassified Unclassified Unclassified 53.1 72.1 M-H C24H38O6 1.058168919 3'-Amino-3'-deoxythimidine 286.104428 1.0224 HMDB0060750 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2',3'-dideoxyribonucleosides Unclassified Unclassified 53.0 69.4 M+FA-H C10H15N3O4 -0.127940486 Dehydrocyanaropicrin 389.1247233 6.395766667 HMDB0035029 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 53.0 71.7 M+FA-H C19H20O6 1.546123507 Stachyose 711.2210172 0.668933333 HMDB0003553 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01613 52.9 72.2 M-H, M+FA-H C24H42O21 1.158249065 Ganolucidic acid B 501.3228765 10.59458333 HMDB0035751 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 52.9 68.9 M-H, M+FA-H C30H46O6 1.420787708 7,2'-Dihydroxyflavone 7-glucoside 461.1099459 5.363316667 LMPK12110007 Unclassified Unclassified Unclassified Unclassified Unclassified 52.9 70.8 M+FA-H C21H20O9 2.42921434 PC(16:0/0:0) 540.3314344 11.51446667 LMGP01050018 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 2 C04230 52.7 74.5 M+FA-H C24H50NO7P 1.497808123 (25S)-11alpha,20,26-trihydroxyecdysone 557.2947009 4.955766667 LMST01010158 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 52.7 79.4 M+FA-H C27H44O9 -3.972142362 D-Glucuronic acid 193.0346311 0.696866667 HMDB0000127 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00191 52.6 69.6 M-H C6H10O7 -3.839929046 (2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-ol 285.1134568 6.199233333 HMDB0135612 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Unclassified Unclassified Unclassified 52.6 67.3 M+FA-H C16H16O2 0.933826884 3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid 469.281102 7.1907 HMDB0000399 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01094 52.6 67.3 M+FA-H C24H40O6 0.966691612 ensulizole 273.034304 4.66925 4009 Unclassified Unclassified Unclassified Unclassified Unclassified 52.5 75.1 M-H C13H10N2O3S 1.340015665 3,4,5-trihydroxy-6-{[2-(2-hydroxy-4-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid 417.1043935 4.904883333 HMDB0133871 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 52.5 65.7 M+FA-H C16H20O10 1.461367292 3,4-Dihydroxyphenylpropanoate 181.0498845 4.9385 3789 Unclassified Unclassified Unclassified Unclassified Unclassified 52.5 69.4 M-H C9H10O4 -4.107658929 3,4,5-trihydroxy-6-(2-oxoethoxy)oxane-2-carboxylic acid 235.0455243 0.73875 HMDB0142000 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 52.4 68.0 M-H C8H12O8 -1.764799732 Aspartyl-Tryptophan 318.1099798 4.972966667 HMDB0028764 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.4 68.4 M-H C15H17N3O5 1.365073209 3,4-dimethyl-5-carboxypropyl-2-furanpentanoic acid 563.2899183 6.344066667 LMFA01150063 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 52.4 65.7 M-H2O-H, 2M-H C15H22O5 0.393009683 (25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol 529.338663 6.8048 LMST01010327 Unclassified Unclassified Unclassified Unclassified Unclassified 52.3 72.6 M+FA-H C27H48O7 0.941913343 3,4,5-trihydroxy-6-({5-hydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl}oxy)oxane-2-carboxylic acid 637.142135 5.899483333 HMDB0127121 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 52.2 67.1 M+FA-H C27H28O15 1.877742537 Acarbose 644.2426598 6.820883333 HMDB0014429 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C06802 52.2 74.3 M-H C25H43NO18 2.97978213 N-(1-Deoxy-1-fructosyl)leucine 292.1404717 1.120283333 HMDB0037840 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 52.1 64.2 M-H C12H23NO7 1.010053367 6-(1-benzofuran-4-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 355.0675758 4.789466667 HMDB0129414 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 52.1 64.7 M+FA-H C14H14O8 1.630400648 Threoninyl-Proline 431.2151237 5.1259 HMDB0029069 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 52.1 64.6 2M-H C9H16N2O4 0.893440092 N-Acetyl-DL-tryptophan 245.0930809 5.763166667 34535 Unclassified Unclassified Unclassified Unclassified Unclassified 52.1 64.0 M-H C13H14N2O3 -0.345390153 Eremopetasidione 281.1396775 6.2142 HMDB0040778 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 52.1 67.7 M+FA-H C14H20O3 0.974462509 Deoxyinosine 251.0784683 1.254816667 3383 Nucleosides, nucleotides, and analogues Purine nucleosides Purine 2'-deoxyribonucleosides 2 C05512 52.0 72.5 M-H, 2M-H C10H12N4O4 -0.436812917 6-Hydroxy-5-methoxyindole glucuronide 384.0940096 1.75015 HMDB0010362 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C03033 51.9 63.9 M+FA-H C15H17NO8 1.150700275 Traumatic acid 227.1285081 10.1163 HMDB0000933 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C16308 51.9 65.0 M-H C12H20O4 -1.642111642 3,4-Dihydroxybenzeneacetic acid 167.034027 4.18805 HMDB0001336 Benzenoids Phenols Benzenediols 3 C01161 51.9 70.5 M-H C8H8O4 -5.684773666 Pyroglutamylglycine 371.1208131 1.0224 HMDB0061890 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.8 63.0 2M-H C7H10N2O4 -0.064749142 Desmethyldeschlorobenzoyl Indomethacin 190.0502427 5.412316667 828 Unclassified Unclassified Unclassified Unclassified Unclassified 51.8 65.9 M-H2O-H, M-H C10H9NO3 -4.867141214 3,4,5-trihydroxy-6-{[5-(4-hydroxy-3-methoxyphenyl)pentanoyl]oxy}oxane-2-carboxylic acid 399.1302137 5.495933333 HMDB0127791 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 51.8 65.6 M-H C18H24O10 1.357389326 Apigenin 7-(6''-methylglucuronide) 505.0995058 6.199233333 LMPK12110346 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 51.8 65.6 M+FA-H C22H20O11 1.611438877 9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R] 327.2178735 7.121783333 LMFA03010154 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14795 51.8 67.9 M-H C18H32O5 0.535765215 D-Fructose 161.0445572 1.271983333 HMDB0000660 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C02336 51.7 68.3 M-H2O-H C6H12O6 -5.497089376 9(S)-HpOTrE 309.2074399 11.18075 36025 Unclassified Unclassified Unclassified Unclassified Unclassified 51.7 70.7 M-H C18H30O4 0.989155361 Asparaginyl-Proline 274.1047714 1.037216667 HMDB0028739 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.6 66.0 M+FA-H C9H15N3O4 1.364189832 7,10-hexadecadiynoic acid 293.1761727 10.083 LMFA01030492 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 51.6 61.5 M+FA-H C16H24O2 1.36927372 Methyl dioxindole-3-acetate 220.0611253 5.763166667 HMDB0038991 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 51.6 62.1 M-H, M+FA-H C11H11NO4 -1.837189717 (6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid 301.1658666 5.79705 HMDB0062363 Unclassified Unclassified Unclassified Unclassified Unclassified 51.6 60.9 M+FA-H C14H24O4 0.798363269 Uric acid 167.0201031 0.976216667 HMDB0000289 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 3 C00366 51.5 77.3 M-H C5H4N4O3 -5.716004785 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol 364.1255827 1.339783333 HMDB0002278 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 51.5 66.7 M-H C14H23NO10 1.81622555 5-Hydroxy-7-methoxy-8-C-methylflavanone 329.1033201 7.03615 LMPK12140191 Unclassified Unclassified Unclassified Unclassified Unclassified 51.5 61.8 M+FA-H C17H16O4 0.909044352 Lycoperdic acid 262.056768 0.73875 HMDB0030417 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.3 58.7 M+FA-H C8H11NO6 -0.331458578 L-glycyl-L-hydroxyproline 375.1522658 1.05315 HMDB0011173 Unclassified Unclassified Unclassified Unclassified Unclassified 51.3 62.3 2M-H C7H12N2O4 0.341670866 3,4,5-trihydroxy-6-(2-hydroxy-3-methoxyphenoxy)oxane-2-carboxylic acid 315.0724924 1.648083333 HMDB0128036 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 51.3 60.6 M-H C13H16O9 1.06529193 13(S)-HpODE 311.2231519 11.38188333 36036 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C04717 51.3 61.7 M-H C18H32O4 1.18132754 Semilepidinoside B 365.1355491 3.827983333 HMDB0033108 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 51.3 64.0 M-H C17H22N2O7 0.339932541 cis-4-Hydroxycyclohexylacetic acid 203.0919188 4.789466667 HMDB0000451 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 51.3 62.8 M+FA-H C8H14O3 -3.658385521 (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] 549.2557842 6.464716667 HMDB0029766 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 51.3 60.9 M+FA-H C24H40O11 1.029759567 Citric acid 191.0189203 1.008516667 HMDB0000094 Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives 3 C00158 51.2 67.7 M-H C6H8O7 -4.196701801 Tyrosyl-Hydroxyproline 293.114835 2.208366667 HMDB0029106 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.2 64.0 M-H C14H18N2O5 1.835000571 Seryltryptophan 336.1206413 4.428283333 HMDB0029050 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 51.2 63.7 M+FA-H C14H17N3O4 1.828769172 alpha-Zearalenol 639.3192669 4.806216667 HMDB0041824 Phenylpropanoids and polyketides Macrolides and analogues Unclassified Unclassified C14750 51.2 69.8 2M-H C18H24O5 2.804154243 Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 236.0562452 4.8565 HMDB0038942 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 51.2 65.6 M-H, M+FA-H C11H11NO5 -0.846951476 Galanal A 363.2180772 7.394866667 HMDB0035311 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 51.2 68.7 M+FA-H C20H30O3 1.192609186 Heliannuol C 293.1397489 7.944666667 HMDB0035131 Organoheterocyclic compounds Benzoxepines Unclassified Unclassified Unclassified 51.2 61.0 M+FA-H C15H20O3 1.214984375 Bimatoprost 460.2709226 8.126933333 HMDB0015041 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 51.2 61.5 M+FA-H C25H37NO4 1.110301785 N6-Galacturonyl-L-lysine 303.119896 1.681866667 HMDB0033106 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 51.1 63.7 M-H2O-H C12H22N2O8 0.377004745 Oxysolavetivone 279.1603209 7.598666667 HMDB0034956 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 51.1 59.2 M+FA-H C15H22O2 0.589629883 3alpha,4beta,7alpha-Trihydroxy-5beta-cholan-24-oic Acid 453.2863002 8.74035 LMST04010060 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 51.1 63.1 M+FA-H, 2M-H C24H40O5 1.280870755 6-O-Acetylarbutin 359.0986811 4.102233333 HMDB0034060 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 51.0 60.9 M+FA-H C14H18O8 0.989174848 3,4,5-trihydroxy-6-{[4-hydroxy-5-(3-hydroxyphenyl)pentanoyl]oxy}oxane-2-carboxylic acid 385.1147873 5.1259 HMDB0127755 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 51.0 61.6 M-H C17H22O10 1.986080563 Daidzein 4'-O-glucuronide 429.0831531 5.34725 HMDB0041717 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 51.0 57.4 M-H C21H18O10 1.006143728 3,4,5-trihydroxy-6-{[7-hydroxy-4-oxo-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 607.1315118 5.95035 HMDB0127263 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 51.0 60.5 M+FA-H C26H26O14 1.873981446 9,10,13-TriHOME 329.2335433 8.262566667 HMDB0004710 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C14835 51.0 60.5 M-H C18H34O5 0.592128949 5-cis Carbaprostacyclin 349.238671 10.33026667 45623 Unclassified Unclassified Unclassified Unclassified Unclassified 50.9 60.6 M-H C21H34O4 0.67900883 3b,12a-Dihydroxy-5a-cholanoic acid 783.5791744 10.47818333 HMDB0000348 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 50.9 67.8 2M-H C24H40O4 1.441872293 6-Methoxyluteolin 7-glucuronide methyl ester 505.0994767 6.0703 LMPK12111212 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 50.9 59.6 M-H C23H22O13 1.407486961 2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid 238.0718093 6.118816667 HMDB0131468 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 50.9 61.2 M-H C11H13NO5 -1.199546707 5a-Tetrahydrocorticosterone 395.2442908 7.761516667 HMDB0000449 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 50.9 68.8 M+FA-H C21H34O4 1.080274401 PSOROMIC ACID 357.0618688 8.110383333 43642 Unclassified Unclassified Unclassified Unclassified Unclassified 50.9 59.8 M-H C18H14O8 0.775883957 N-Acetylaspartylglutamic acid 303.0833811 1.070166667 HMDB0001067 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C12270 50.8 59.2 M-H2O-H, M-H C11H16N2O8 0.734856754 N-Acetyl-7-O-acetylneuraminic acid 332.0994727 1.070166667 HMDB0000785 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C04016 50.8 63.8 M-H2O-H C13H21NO10 2.187241081 Chondroitin 4-sulfate 458.0615855 0.752666667 HMDB0000652 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00634 50.7 65.5 M-H2O-H C14H23NO15S 1.229607001 2-(Arabinosylamino)-3-(glucosylamino)propanenitrile 360.1414955 3.810816667 HMDB0039505 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 50.6 59.1 M-H2O-H C14H25N3O9 0.67829515 gamma-Glutamylphenylalanine 293.1147071 4.428283333 HMDB0000594 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.6 60.9 M-H C14H18N2O5 1.400374865 5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide 565.1205549 5.46185 LMPK12111297 Unclassified Unclassified Unclassified Unclassified Unclassified 50.6 57.4 M+FA-H C24H24O13 1.271239228 Brassylic acid 289.1659448 5.9849 LMFA01170014 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 50.6 57.4 M+FA-H C13H24O4 1.157808345 N-Ribosylhistidine 332.1100491 0.781 HMDB0002089 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.5 56.6 M+FA-H C11H17N3O6 0.386307378 Glycylprolylhydroxyproline 284.1253711 1.648083333 HMDB0002171 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.5 59.5 M-H C12H19N3O5 0.620009312 Asparaginyl-Phenylalanine 278.1147041 3.759516667 HMDB0028738 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.5 63.0 M-H C13H17N3O4 0.266807179 5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone 253.0717126 5.05715 HMDB0029185 Benzenoids Phenols Benzenediols Unclassified Unclassified 50.5 57.3 M+FA-H C11H12O4 -0.236149814 8-iso-PGE2 351.2179145 7.429233333 36377 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 50.5 60.8 M-H C20H32O5 0.615438861 7'-Carboxy-gamma-chromanol 379.2129781 9.11285 HMDB0012850 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 50.5 60.4 M+FA-H C20H30O4 1.094480154 (1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole 275.0885494 1.008516667 HMDB0029756 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 50.4 56.0 M+FA-H C9H14N2O5 0.326057419 N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 483.126079 1.902366667 HMDB0039409 Benzenoids Benzene and substituted derivatives Phenylacetamides Unclassified Unclassified 50.4 57.8 M-H C20H24N2O12 0.890768968 Chenodeoxycholic acid glycine conjugate 448.3072581 9.93705 HMDB0000637 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 C05466 50.4 58.4 M-H C26H43NO5 0.914788669 D-Maltose 387.1147659 0.668933333 HMDB0000163 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00208 50.3 56.2 M+FA-H C12H22O11 1.02759734 Glutaminylglycine 184.0719607 0.781 HMDB0028797 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.3 61.5 M-H2O-H C7H13N3O4 -3.959107329 2-n-Propyl-4-oxopentanoic acid 203.0919403 5.05715 HMDB0060683 Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives 2 C16655 50.3 59.8 M+FA-H C8H14O3 -3.52254613 5-hydroxy-8-(2-hydroxypropan-2-yl)-4-(prop-2-en-1-yl)-2H,8H,9H-furo[2,3-h]chromen-2-one 301.108412 5.9164 HMDB0130125 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 50.3 57.7 M-H, M+FA-H C17H18O5 0.876392138 Riesling acetal 271.1553414 6.653383333 HMDB0037562 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 50.3 57.3 M+FA-H C13H22O3 1.07867154 N-Acetyl-L-alanine 130.0497597 1.203633333 HMDB0000766 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 Unclassified 50.2 67.3 M-H C5H9NO3 -9.20965695 L-Phenylalanine 164.0707115 2.020966667 HMDB0000159 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C00079 50.2 61.5 M-H C9H11NO2 -6.001031381 Taraxacoside 443.1203385 4.806216667 HMDB0030055 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 50.2 58.7 M+FA-H C18H22O10 2.106680413 5S,6S-epoxy-7-undecynoic acid 241.1080295 5.6128 LMFA01070039 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 50.2 52.5 M+FA-H C11H16O3 -0.600392426 alpha-CEHC glucuronide 453.1771486 6.771683333 HMDB0062445 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 50.2 57.8 M-H C22H30O10 1.162327616 Zedoarondiol 297.1708447 7.463566667 HMDB0036448 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 50.2 60.4 M+FA-H C15H24O3 0.385263232 N-Acetylneuraminic acid 308.0989498 0.710833333 HMDB0000230 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 C19910 50.1 56.0 M-H C11H19NO9 0.792904821 L-alpha-Aspartyl-L-hydroxyproline 291.0838267 0.73875 HMDB0011160 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.1 63.9 M+FA-H C9H14N2O6 1.778397857 Gluconolactone 177.0395775 0.766866667 HMDB0000150 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00198 50.1 59.1 M-H C6H10O6 -4.965420636 Chondroitin 378.1047658 0.766866667 HMDB0000629 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00401 50.1 61.5 M-H C14H21NO11 1.534445323 Valyl-Asparagine 230.1142948 1.390916667 HMDB0029122 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 50.1 58.2 M-H C9H17N3O4 -1.448507777 MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0) 423.2757942 8.34645 LMGL01010023 Lipids and lipid-like molecules Endocannabinoids Unclassified 2 C13856 50.1 58.1 M+FA-H C23H38O4 1.537614987 12,13-DHOME 313.2387557 10.67868333 HMDB0004705 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C14829 50.0 56.8 M-H C18H34O4 1.026521932 Pueraria glycoside 2 593.15232 5.07435 LMPK12050009 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 50.0 58.3 M+FA-H C26H28O13 2.054422819 11-Hydroxyprogesterone 11-glucuronide 1011.499846 5.46185 HMDB0010364 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 50.0 77.8 2M-H C27H38O9 3.907820087 3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)propoxy]oxane-2-carboxylic acid 341.124383 6.134933333 HMDB0135749 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 50.0 56.5 M-H C16H22O8 0.560552888 Obtustyrene 285.1134547 7.497233333 HMDB0030672 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Cinnamylphenols Unclassified Unclassified 50.0 53.3 M+FA-H C16H16O2 0.924827631 9(S)-HODE 295.2280623 11.54785 45662 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C14767 49.9 57.7 M-H C18H32O3 0.654468446 6alpha,9alpha-Difluoroprednisolone-17-butyrate 511.2162556 4.411066667 HMDB0060797 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 Unclassified 49.9 63.0 M+FA-H C25H32F2O6 2.911870929 Acetyl-L-tyrosine 222.0767988 4.514416667 5827 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C01657 49.9 55.7 M-H C11H13NO4 -1.715414636 Aspartylphenylalanine 279.0988962 4.652083333 HMDB0000706 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.9 53.7 M-H2O-H, M-H C13H16N2O5 0.390997402 gamma-L-Glutamyl-L-pipecolic acid 239.1035994 4.703683333 HMDB0038614 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.9 54.2 M-H2O-H C11H18N2O5 -0.508095598 Helinorbisabone 295.1193007 4.9897 HMDB0032116 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 49.9 57.8 M+FA-H C14H18O4 2.354138185 (S)-9-Hydroxy-10-undecenoic acid 245.1393038 6.229033333 LMFA01050436 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 49.9 53.0 M+FA-H C11H20O3 -0.717537281 Tetranor 12-HETE 311.1866063 9.765216667 HMDB0060055 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 49.9 54.4 M+FA-H C16H26O3 0.784006064 Threoninyl-Leucine 231.1346711 2.751466667 HMDB0029065 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.8 54.6 M-H C10H20N2O4 -1.548873088 Isokanugin 401.0880417 8.21155 LMPK12112733 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 49.8 53.7 M+FA-H C19H16O7 0.662568243 6-{[3-(3,4-dihydroxyphenyl)propanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 357.0829806 2.717083333 HMDB0124981 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 49.7 52.9 M-H C15H18O10 0.726689156 1H-Indol-3-ylacetyl-myo-inositol 382.1149393 5.228883333 HMDB0031182 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 49.7 54.6 M+FA-H C16H19NO7 1.733887059 (Z)-3-Oxo-2-(2-pentenyl)-1-cyclopenteneacetic acid 253.1081962 5.562866667 HMDB0030197 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 49.7 52.6 M+FA-H C12H16O3 0.235117798 L-3-Phenyllactic acid 165.0547567 5.729433333 HMDB0000748 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified 3 C05607 49.7 56.2 M-H, 2M-H, M+FA-H C9H10O3 -5.787279147 Mesobilirubinogen 591.3197289 6.653383333 HMDB0001898 Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins 2 C05790 49.7 59.1 M-H C33H44N4O6 1.553431667 2'-Deoxyuridine 273.0731274 1.120283333 91 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides 2 C00526 49.6 50.9 M-H, M+FA-H C9H12N2O5 -1.227177003 gamma-Glutamylisoleucine 259.1299436 2.956283333 HMDB0011170 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.6 50.9 M-H C11H20N2O5 -0.006591579 3,4,5-trihydroxy-6-{[3-(4-hydroxy-3-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid 371.0986372 4.6004 HMDB0127982 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 49.6 53.6 M-H, M+FA-H C16H20O10 0.716955261 2-Hydroxy-2,6,6-trimethylcyclohexanone 201.1125029 6.9187 HMDB0037023 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 49.6 53.9 M+FA-H C9H16O2 -4.673949713 C75 253.1444889 8.707533333 44901 Unclassified Unclassified Unclassified Unclassified Unclassified 49.6 58.1 M-H C14H22O4 -0.172366788 Androsterone 3-glucuronide 511.2551292 9.869583333 LMST05010013 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 2 C11135 49.6 60.9 M+FA-H C25H38O8 0.553767402 Pseudouridine 243.0621162 0.781 HMDB0000767 Nucleosides, nucleotides, and analogues Nucleoside and nucleotide analogues Unclassified 2 C02067 49.5 49.4 M-H C9H12N2O6 -0.587741905 Serinyl-Hydroxyproline 217.0825115 1.008516667 HMDB0029040 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.5 55.6 M-H C8H14N2O5 -2.21734174 Aspartyl-Methionine 263.0708762 1.44235 HMDB0028759 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.5 51.7 M-H2O-H, M-H C9H16N2O5S 0.218752295 S-Lactoylglutathione 378.0978814 1.63085 HMDB0001066 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C03451 49.5 60.4 M-H C13H21N3O8S 0.586086443 2,4-Dimethylpimelic acid 233.1028739 5.04015 HMDB0059760 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 49.5 52.1 M+FA-H C9H16O4 -0.999385368 Cicerin 7-(6-malonylglucoside) 577.1207038 6.01945 HMDB0040604 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Unclassified Unclassified 49.5 54.8 M-H C26H26O15 1.401299405 15-methyl-15R-PGE2 365.2334719 7.615333333 36134 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 49.5 55.3 M-H C21H34O5 0.338987959 Chenodeoxycholic acid 3-glucuronide 567.3181103 8.245533333 LMST05010022 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 49.5 56.8 M-H C30H48O10 1.12428629 Valyl-Tyrosine 279.1351254 2.48 HMDB0029139 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.4 56.0 M-H C14H20N2O4 0.337901125 beta-D-Glucosyloxydestruxin B 816.4276403 5.006433333 HMDB0040136 Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Unclassified Unclassified Unclassified 49.4 56.0 M+FA-H C36H61N5O13 3.694907228 (2R)-5,4'-Dihydroxy-7-methoxy-6-methylflavanone 345.098436 6.0533 LMPK12140569 Unclassified Unclassified Unclassified Unclassified Unclassified 49.4 57.0 M+FA-H C17H16O5 1.531326472 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol 275.1867078 6.1032 HMDB0036133 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 49.4 50.5 M+FA-H C13H26O3 1.347612529 3''-O-Caffeoylcosmosiin 593.1307421 10.23256667 HMDB0037345 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 49.3 60.9 M-H C30H26O13 1.140467874 Threoninyl-Phenylalanine 265.1195507 4.290716667 HMDB0029068 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.3 54.3 M-H C13H18N2O4 0.639174136 Indole-3-carboxilic acid-O-sulphate 286.0030324 4.376566667 HMDB0060002 Organoheterocyclic compounds Indoles and derivatives Indolecarboxylic acids and derivatives Unclassified Unclassified 49.3 53.0 M+FA-H C9H7NO5S 1.395177415 Corchoionol C 9-glucoside 431.1927597 5.228883333 HMDB0029772 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 49.3 53.3 M+FA-H C19H30O8 1.265867499 Artabsinolide D 281.1397073 5.679016667 HMDB0034941 Organoheterocyclic compounds Lactones Gamma butyrolactones Unclassified Unclassified 49.3 55.5 M-H C15H22O5 0.921249613 Pisumic acid 281.1396256 7.1907 HMDB0039241 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 49.3 51.3 M-H C15H22O5 0.631746168 Hypoxanthine 135.0300914 1.008516667 HMDB0000157 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 3 C00262 49.2 61.2 M-H C5H4N4O -8.401732761 9E-heptadecenoic acid 313.2387566 11.78081667 LMFA01030289 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C16536 49.2 52.0 M+FA-H C17H32O2 1.205822226 (R)-2-Hydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside 368.0990928 4.583133333 HMDB0037262 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 49.2 51.5 M-H2O-H C16H21NO10 1.002375217 3-O-Feruloylquinic acid 367.1039168 4.972966667 HMDB0030669 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified C02572 49.2 53.9 M-H C17H20O9 1.252260542 Tatridin B 263.129043 6.567 HMDB0036931 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 49.2 51.4 M-H C15H20O4 0.60687481 7(14)-Bisabolene-2,3,10,11-tetrol 317.1969532 6.7381 HMDB0035918 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 49.2 49.0 M+FA-H C15H28O4 -0.033165878 3alpha,6alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid 405.2649285 9.566833333 LMST04010173 Unclassified Unclassified Unclassified Unclassified Unclassified 49.2 52.8 M-H C24H38O5 0.690731054 N-Acetylmuramate 338.1097772 0.766866667 HMDB0060493 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C02713 49.1 54.1 M+FA-H C11H19NO8 1.732240743 Deoxyguanosine 266.0896668 1.18665 3395 Nucleosides, nucleotides, and analogues Purine nucleosides Purine 2'-deoxyribonucleosides 2 C00330 49.1 50.6 M-H C10H13N5O4 0.708693001 Valyl-Glutamate 245.114149 1.784016667 HMDB0029126 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.1 50.9 M-H C10H18N2O5 -0.594215791 L-Gizzerosine 285.1570118 3.673966667 HMDB0039160 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.1 55.1 M+FA-H C11H20N4O2 0.762317306 6''-O-Acetylholocalin 398.1096425 4.61755 HMDB0036331 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 49.1 50.3 M+FA-H C16H19NO8 1.056542238 PS-PI 715.329034 4.9385 LMGP20050017 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 49.1 59.7 M+FA-H C30H55O14P -3.150630473 Undecanedioic acid 261.1345214 5.6454 HMDB0000888 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 49.1 49.0 M+FA-H C11H20O4 0.737620226 Taurallocholic acid 1029.576752 6.704116667 LMST05040016 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 49.1 73.4 2M-H C26H45NO7S 0.661074312 {[3-hydroxy-2-(phenylmethylidene)heptyl]oxy}sulfonic acid 345.1015076 7.275083333 HMDB0126525 Phenylpropanoids and polyketides Cinnamyl alcohols Unclassified Unclassified Unclassified 49.1 52.1 M+FA-H C14H20O5S 0.533234485 7-phenyl heptanoic acid 251.1288062 7.497233333 LMFA01140063 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 49.1 47.1 M+FA-H C13H18O2 -0.37127331 3,4,5-trihydroxy-6-{[(2Z)-2-(phenylmethylidene)heptyl]oxy}oxane-2-carboxylic acid 425.1821254 8.7242 HMDB0126521 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 49.1 48.4 M+FA-H C20H28O7 1.102966914 Oxoglutaric acid 145.0131459 0.810033333 HMDB0000208 Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives 3 C00026 49.0 55.1 M-H C5H6O5 -7.539485217 Ferulic acid 4-sulfate 273.0078027 4.972966667 HMDB0029200 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 49.0 50.6 M-H C10H10O7S 1.297399763 2,5-Dihydroxy-7-methoxy-8-methylflavanone 345.0993503 5.479133333 LMPK12140691 Unclassified Unclassified Unclassified Unclassified Unclassified 49.0 57.5 M+FA-H C17H16O5 4.577853327 Indolylacryloylglycine 243.0773671 6.0533 HMDB0006005 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 49.0 46.9 M-H C13H12N2O3 -0.609192679 Tauro-b-muricholic acid 1029.576944 7.680833333 HMDB0000932 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 49.0 74.3 2M-H C26H45NO7S 0.846517558 (23R)-3alpha,7alpha,17alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid 405.2649528 8.920833333 LMST04010421 Unclassified Unclassified Unclassified Unclassified Unclassified 49.0 51.9 M-H2O-H C24H40O6 0.718701661 Goshuyic acid 269.1760882 11.94526667 LMFA01030257 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 48.9 47.7 M+FA-H C14H24O2 1.139118333 Indoleacetyl glutamine 348.1202539 4.119383333 HMDB0013240 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.9 48.3 M+FA-H C15H17N3O4 0.478451703 Glutamylphenylalanine 293.1148771 4.789466667 HMDB0029156 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.9 50.1 M-H C14H18N2O5 1.978165535 3,4,5-trihydroxy-6-[(3-phenylpropanoyl)oxy]oxane-2-carboxylic acid 371.0987263 5.412316667 HMDB0125172 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 48.9 47.7 M+FA-H C15H18O8 1.091354703 6''-O-Acetylglycitin 533.1306892 5.495933333 HMDB0039489 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Unclassified Unclassified 48.9 53.9 M+FA-H C24H24O11 1.279779094 3,4,5-trihydroxy-6-({5-hydroxy-4-oxo-2-[4-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)oxane-2-carboxylic acid 527.0508319 5.579683333 HMDB0128103 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 48.9 57.8 M-H C21H20O14S 1.38628074 6-Hydroxypentadecanedioic acid 333.1921183 5.847766667 HMDB0031885 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 48.9 53.6 M+FA-H C15H28O5 0.837905106 Dihydrozeatin-9-N-glucoside 428.1788284 2.140333333 HMDB0012213 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 Unclassified 48.8 51.7 M+FA-H C16H25N5O6 0.370545148 6-[4-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 389.0732717 4.462783333 HMDB0125148 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 48.8 50.5 M+FA-H C14H16O10 2.09879244 2-(2-Hydroxy-4-methylphenyl)-3-pentanone 237.1129509 6.788266667 HMDB0038180 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 48.8 47.4 M+FA-H C12H16O2 -1.466628102 12-hydroxy-8E,10E-heptadecadienoic acid 327.2179319 9.046583333 LMFA01050194 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 48.8 49.9 M+FA-H C17H30O3 0.829908071 Prostaglandin E2 351.217912 9.09625 HMDB0001220 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 3 C00584 48.8 52.2 M-H C20H32O5 0.608305695 (3alpha,5beta,7alpha)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-beta-D-Glucopyranosiduronic acid 567.3180806 9.566833333 LMST05010028 Unclassified Unclassified Unclassified Unclassified Unclassified 48.8 51.8 M-H C30H48O10 1.072087511 Glutamylthreonine 247.093406 1.008516667 HMDB0028829 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.7 53.7 M-H2O-H, M-H C9H16N2O6 -1.328716129 Muramic acid 232.0824881 4.548783333 HMDB0003254 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C06470 48.7 48.5 M-H2O-H C9H17NO7 -0.687583388 4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate 319.0496156 4.754983333 HMDB0059981 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 48.7 55.2 M+FA-H C11H14O6S 1.107651302 Cytidine monophosphate N-acetylneuraminic acid 595.1314203 5.779983333 HMDB0001176 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine nucleotide sugars 2 C00128 48.7 49.7 M-H2O-H C20H31N4O16P 3.246564414 2-octenedioic acid 343.1400793 6.0533 LMFA01170085 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 48.7 47.1 2M-H C8H12O4 0.691633547 (3b,16b,20R)-Pregn-5-ene-3,16,20-triol 3-glucoside 495.2967185 6.447483333 HMDB0041331 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 48.7 55.7 M-H C27H44O8 0.758658446 delta10-13-PhytoF 389.2185136 6.601566667 LMFA02040001 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 48.7 48.3 M+FA-H C18H32O6 1.225953028 Ethyl glucuronide 267.0721769 0.710833333 HMDB0010325 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 48.6 47.2 M+FA-H C8H14O7 0.095458701 3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid 189.0397344 1.086733333 LMFA01050489 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 48.6 50.0 M-H C7H10O6 -3.826515622 3b,7a-Dihydroxy-5b-cholanoic acid 437.2913588 10.39613333 HMDB0000361 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C17660 48.6 48.5 M+FA-H C24H40O4 1.264848671 Perilloside B 373.1510572 5.228883333 HMDB0040465 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 48.6 48.0 M+FA-H C16H24O7 1.984637893 Tupichinol A 331.1190717 5.34725 LMPK12020006 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 48.6 49.1 M+FA-H C17H18O4 1.257375213 3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxy}oxane-2-carboxylic acid 383.1716567 5.95035 HMDB0132969 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 48.6 50.7 M-H C19H28O8 1.341198231 (1'R)-Nepetalic acid 229.1078034 6.618816667 HMDB0036117 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 48.6 48.9 M+FA-H C10H16O3 -1.867806632 I-Urobilin 589.3041514 6.670466667 HMDB0004160 Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins 2 C05794 48.6 53.2 M-H C33H42N4O6 1.681759169 4-Acetyl-2(3H)-benzoxazolone 222.0403554 1.851983333 HMDB0040612 Organoheterocyclic compounds Benzoxazoles Benzoxazolones Unclassified Unclassified 48.5 46.4 M+FA-H C9H7NO3 -2.488651311 5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)resorcinol 389.2701873 10.76183333 LMPK15030027 Lipids and lipid-like molecules Polyketides Phenolic lipids Unclassified Unclassified 48.5 47.2 M+FA-H C23H36O2 1.318937187 3a,7a-Dihydroxycholanoic acid 783.5794302 10.9787 HMDB0000384 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 48.5 67.2 2M-H C24H40O4 1.767924849 Folinic acid 472.1590331 4.290716667 HMDB0001562 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives 2 C03479 48.5 48.9 M-H C20H23N7O7 0.873769435 Glutamylleucine 259.1300385 4.497216667 HMDB0028823 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.5 53.6 M-H C11H20N2O5 0.35821245 Phaseolic acid 243.1237051 5.46185 LMFA01060200 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives 1 Unclassified 48.5 44.2 M-H2O-H, M+FA-H C12H22O6 -0.351795789 {3-hydroxy-5-oxo-2-[3-(sulfooxy)phenyl]-5H-chromen-7-yl}oxidanium 349.003209 6.413016667 HMDB0125156 Unclassified Unclassified Unclassified Unclassified Unclassified 48.5 50.7 M-H C15H10O8S 2.420394885 (8alpha,10beta,11beta)-3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide 269.1397016 6.567 HMDB0037244 Organoheterocyclic compounds Lactones Gamma butyrolactones Unclassified Unclassified 48.5 51.6 M+FA-H C13H20O3 1.134243609 8E-Heptadecenedioic acid 343.2126984 7.531433333 LMFA01170053 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 48.5 48.6 M+FA-H C17H30O4 0.288550825 1-O-(2R-methoxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenyl)-sn-glycerol 463.3071979 9.90305 LMGL01020044 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 48.5 56.8 M+FA-H C26H42O4 1.638138177 (17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione 471.3119882 10.1163 HMDB0035624 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 48.4 52.0 M-H, M+FA-H C29H44O5 0.825987396 2-Ethylsuberic acid 247.1185856 5.479133333 HMDB0059708 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 48.4 45.8 M+FA-H C10H18O4 -0.62491548 (25S)-5alpha-cholestan-3beta,4beta,6alpha,8beta,15alpha,16beta,26-heptol 529.3387427 6.118816667 LMST01010328 Unclassified Unclassified Unclassified Unclassified Unclassified 48.4 49.1 M+FA-H C27H48O7 1.106473692 (22E)-3alpha,7alpha,12alpha-Trihydroxy-5beta-chol-22-en-24-oic Acid 405.2648839 8.110383333 LMST04010232 Unclassified Unclassified Unclassified Unclassified Unclassified 48.4 49.4 M-H C24H38O5 0.581018983 Imidazoleacetic acid riboside 257.0779168 1.070166667 HMDB0002331 Nucleosides, nucleotides, and analogues Imidazole ribonucleosides and ribonucleotides Unclassified 2 C05131 48.3 60.5 M-H C10H14N2O6 0.027461015 beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose 502.1798474 1.152566667 HMDB0041224 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 48.3 54.4 M-H C18H33NO15 4.182385173 p-Hydroxyl-ethotoin 265.0830607 2.038133333 HMDB0061174 Organoheterocyclic compounds Azolidines Imidazolidines Unclassified Unclassified 48.3 46.6 M+FA-H C11H12N2O3 0.298039895 Vanillic acid 4-sulfate 246.9916506 3.48595 HMDB0041788 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 48.3 52.4 M-H C8H8O7S -0.590999945 3-(2,4-dihydroxy-5-methoxyphenyl)propanoic acid 193.0499459 5.830633333 HMDB0125520 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 48.3 49.8 M-H2O-H C10H12O5 -3.236833188 Ethyl (3R,5Z)-3-hydroxy-5-octenoate 231.1235008 6.036733333 HMDB0030367 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 48.3 45.9 M+FA-H C10H18O3 -1.593252742 13-Oxo-9,11-tridecadienoic acid 269.1396643 6.771683333 LMFA01060202 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 48.3 49.1 M+FA-H C13H20O3 0.967863088 2-Hydroxyphenylacetic acid O-b-D-glucoside 313.0933023 4.359316667 HMDB0038333 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 48.2 47.2 M-H C14H18O8 1.309216723 Nigellicine 291.0990164 4.48 HMDB0030269 Organoheterocyclic compounds Benzopyrazoles Indazoles Unclassified Unclassified 48.2 45.3 M+FA-H C13H14N2O3 1.508344622 N-lactoyl-Tyrosine 505.1757839 4.823433333 HMDB0062177 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 48.2 52.1 M-H, 2M-H C12H15NO5 0.131298633 4'-Dihydroabscisic acid 265.1446092 8.160583333 HMDB0039516 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 48.2 44.9 M-H C15H22O4 0.287422828 N-Acetylgalactosamine 4-sulphate 300.0397822 0.710833333 HMDB0000781 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C16265 48.1 51.9 M-H C8H15NO9S 1.018198887 L-Tyrosine 180.0658229 1.0224 34 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00082 48.1 54.5 M-H C9H11NO3 -4.384127893 m-Coumaric acid 163.0391099 5.596366667 HMDB0001713 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 3 C12621 48.1 50.6 M-H C9H8O3 -5.838256066 [3-(3-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 333.007689 5.899483333 HMDB0134560 Phenylpropanoids and polyketides Flavonoids Flavones Unclassified Unclassified 48.1 49.5 M-H C15H10O7S 0.723711269 3,17-Androstanediol glucuronide 467.2652549 6.969433333 HMDB0010321 Benzenoids Benzene and substituted derivatives Benzophenones 1 Unclassified 48.1 50.1 M-H C25H40O8 0.455053774 Dihyroxy-1H-indole glucuronide I 324.0728838 4.703683333 HMDB0059997 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 48.0 48.7 M-H C14H15NO8 1.211293926 [4]-Gingerdiol 3,5-diacetate 397.1870172 5.34725 HMDB0039132 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 48.0 45.0 M+FA-H C19H28O6 0.640815898 Cucurbic acid 257.139561 5.412316667 HMDB0029388 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 48.0 46.4 M+FA-H C12H20O3 0.53567783 (+)-2-Sterpurene-6,12,15-triol 297.170869 6.395766667 LMPR0103600003 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 48.0 44.1 M+FA-H C15H24O3 0.481689764 N-a-Acetylcitrulline 216.0985107 1.008516667 HMDB0000856 Unclassified Unclassified Unclassified Unclassified Unclassified 47.9 47.0 M-H C8H15N3O4 -2.159539158 (3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside 274.0935014 2.0037 HMDB0034085 Lipids and lipid-like molecules Glycerolipids Glycosylglycerols 1 Unclassified 47.9 45.5 M-H2O-H C11H19NO8 0.941316386 5-Hepteneoylglycine 230.1031099 5.395966667 HMDB0094731 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.9 43.4 M+FA-H C9H15NO3 -1.546923313 Lisinopril 404.2196397 6.5497 HMDB0001938 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified D00362 47.9 49.2 M-H C21H31N3O5 1.34508097 13,14-Dihydro PGF-1a 403.2703648 7.92835 HMDB0005076 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 47.9 44.9 M+FA-H C20H38O5 0.663207585 Isocitrate 191.0189378 0.781 3328 Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives 2 C00311 47.8 49.4 M-H C6H8O7 -4.105551841 Aspartyl-Valine 231.0983421 1.305483333 HMDB0028766 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.8 49.9 M-H2O-H, M-H C9H16N2O5 -2.262810627 9(S)-HOTrE 293.2126162 11.16521667 36030 Unclassified Unclassified Unclassified Unclassified Unclassified 47.8 54.0 M-H C18H30O3 1.352247028 2-hydroxyhexadecanoic acid 271.2280787 13.00463333 34495 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 47.8 50.6 M-H C16H32O3 0.772384983 1-(3-Methylbutanoyl)-6-apiosylglucose 395.1563947 4.823433333 HMDB0039953 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 47.8 45.0 M-H C16H28O11 1.285756691 Propofol glucuronide 399.1666273 5.596366667 HMDB0060933 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 47.8 44.8 M+FA-H C18H26O7 1.612925395 Sundiversifolide 283.1553615 5.847766667 LMPR0103390002 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 47.8 44.4 M+FA-H C14H22O3 1.108994284 3-Methylsuberic acid 187.0967967 6.229033333 HMDB0059783 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 47.8 45.4 M-H C9H16O4 -4.177884338 (-)-16alpha,17-Dihydroxy-atisan-3-one 365.2334228 8.822383333 LMPR0104150005 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 47.8 46.8 M+FA-H C20H32O3 0.234380747 2-Propylglutaric acid 219.0869413 4.325166667 HMDB0060684 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16658 47.7 44.4 M+FA-H C8H14O4 -2.702646736 Isovalerylglutamic acid 230.1031662 5.143133333 HMDB0000726 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.7 46.4 M-H C10H17NO5 -0.995316176 16a-Hydroxydehydroisoandrosterone 349.2023159 6.087083333 HMDB0000352 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C05139 47.7 44.6 M+FA-H C19H28O3 0.881896194 2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one 251.0924141 9.07965 HMDB0041410 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 47.7 43.2 M+FA-H C12H14O3 -0.403014629 5-O-a-L-Arabinofuranosyl-L-arabinose 327.0937218 0.710833333 HMDB0038880 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 47.6 44.0 M+FA-H C10H18O9 1.548437778 (2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid 211.0718641 1.545133333 HMDB0039110 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.6 44.4 M-H2O-H C9H14N2O5 -2.46138677 3-Oxovalproic acid 203.0919117 5.297816667 HMDB0060685 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 2 C16652 47.6 45.7 M+FA-H C8H14O3 -3.703518715 2-(hydroxymethyl)-7-methoxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4,5-diol 239.0923613 5.479133333 HMDB0125804 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 47.6 45.2 M-H, M+FA-H C12H16O5 -0.565781902 3-Methyladipic acid 159.0653007 5.512683333 HMDB0000555 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 Unclassified 47.6 48.6 M-H C7H12O4 -6.133059543 7-Sulfocholic acid 487.2377498 5.763166667 LMST05020039 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 47.6 48.4 M-H C24H40O8S 1.30463244 1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol 365.2334456 6.653383333 LMPR0104400001 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 47.6 42.3 M+FA-H C20H32O3 0.305429831 (-)-Mycomycin 257.0818909 7.343833333 LMFA01031139 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 47.6 39.7 M+FA-H C14H12O2 -0.19632633 Kessyl glycol 299.1864824 8.690833333 HMDB0037197 Organoheterocyclic compounds Oxepanes Unclassified Unclassified Unclassified 47.6 42.8 M+FA-H C15H26O3 0.333843688 Glutamylisoleucine 259.1299551 2.463016667 HMDB0028822 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.5 42.6 M-H C11H20N2O5 0.037505103 Serylphenylalanine 251.1036364 3.605533333 HMDB0029046 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.5 46.2 M-H C12H16N2O4 -0.373668301 Thalidomide 303.0625727 4.686483333 HMDB0015175 Organoheterocyclic compounds Isoindoles and derivatives Isoindolines Unclassified C07910 47.5 41.0 M+FA-H C13H10N2O4 1.212859848 (E)-5-(3,4,5,6-Tetrahydro-3-pyridylidenemethyl)-2-furanmethanol 236.0927343 5.07435 HMDB0033560 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Unclassified Unclassified 47.5 43.7 M+FA-H C11H13NO2 -0.508677223 8-nonylenic acid 201.1126184 5.495933333 LMFA01030028 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 47.5 46.2 M+FA-H C9H16O2 -3.934551113 Crosatoside B 491.1777152 5.52985 HMDB0039253 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 47.5 47.9 M+FA-H C20H30O11 1.570005204 5,7-Dihydroxy-4'-methoxy-8-methylflavanone 345.099125 5.629433333 LMPK12140352 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Unclassified Unclassified 47.5 48.4 M+FA-H C17H16O5 3.827162373 3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate 257.1395861 5.661866667 HMDB0041572 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 47.5 40.2 M+FA-H C12H20O3 0.653964722 (4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-one 229.1078343 5.967566667 HMDB0039052 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 47.5 43.9 M+FA-H C10H16O3 -1.699949208 MG(20:4(5Z,8Z,11Z,14Z)/0:0/0:0) 423.275739 6.567 HMDB0011578 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 47.5 43.7 M+FA-H C23H38O4 1.391615049 PGF2alpha 353.2336389 7.070033333 LMFA03010002 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C00639 47.5 46.8 M-H, M+FA-H C20H34O5 0.821797609 Deuteroporphyrin IX 491.2111914 11.11996667 HMDB0000579 Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins Unclassified Unclassified 47.4 44.1 M-H2O-H C30H30N4O4 4.560894804 Absindiol 265.1446335 6.395766667 HMDB0033229 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 47.4 44.9 M-H2O-H, M-H C15H22O4 -0.392543649 a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose 439.1434394 6.721 HMDB0041222 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 47.4 45.8 M-H2O-H C17H30O14 -4.965802653 TUBAIC ACID 219.0657881 7.207433333 44615 Unclassified Unclassified Unclassified Unclassified Unclassified 47.4 42.1 M-H C12H12O4 -2.246182574 xi-7-Hydroxyhexadecanedioic acid 301.2022079 8.330033333 HMDB0037830 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 47.4 42.5 M-H C16H30O5 0.530264645 Leucyl-Threonine 231.1347478 1.037216667 HMDB0028939 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.3 43.5 M-H C10H20N2O4 -1.218612056 Hydroxycotinine 237.0878316 1.493833333 HMDB0001390 Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines Unclassified Unclassified 47.3 40.8 M+FA-H C10H12N2O2 -1.295881347 2-(sulfooxy)acetic acid 310.9374752 1.918916667 HMDB0124940 Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters Unclassified Unclassified 47.3 46.6 2M-H C2H4O6S -3.096910995 4,8-Dimethyl-4E,8E-decadien-10-olide 387.2544841 10.29736667 LMFA07040024 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 47.3 40.7 M+FA-H, 2M-H C12H18O2 -0.783749508 Ineketone 363.2181744 10.66186667 HMDB0036698 Lipids and lipid-like molecules Prenol lipids Diterpenoids Unclassified C09110 47.3 42.0 M+FA-H C20H30O3 1.498117165 [(3-phenyloxiran-2-yl)methoxy]sulfonic acid 275.0234697 4.92155 HMDB0135311 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 47.3 45.6 M+FA-H C9H10O5S 1.618889006 alpha-Carboxy-delta-decalactone 259.1190065 4.9897 HMDB0030985 Organoheterocyclic compounds Lactones Delta valerolactones 1 Unclassified 47.3 41.1 M-H, M+FA-H C11H18O4 -2.026270787 3-Oxo-carbofuran 280.0828896 5.04015 HMDB0032776 Organoheterocyclic compounds Benzofurans Unclassified Unclassified Unclassified 47.3 39.4 M+FA-H C12H13NO4 0.973527758 12-hydroxy-10-dodecenoic acid 259.1552816 5.2635 LMFA01050168 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 47.3 39.3 M+FA-H C12H22O3 0.859726781 dihydrophaseic acid 281.1397077 5.315033333 LMPR0103050005 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C15971 47.3 45.7 M-H C15H22O5 0.92265166 terpentecin 409.1873804 5.661866667 LMPR0104040002 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 47.3 42.0 M+FA-H C20H28O6 1.617013212 N-(4-aminobutyl)-3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enimidic acid 325.0865457 5.79705 HMDB0139622 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid amides Unclassified Unclassified 47.3 49.5 M-H2O-H C14H20N2O6S 0.521613431 2-[hydroxy(phenyl)methyl]heptanal 265.1446015 9.794383333 HMDB0133164 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 47.3 38.4 M+FA-H C14H20O2 0.312421002 Corchorifatty acid A 307.1917571 11.06006667 HMDB0032664 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 47.2 40.2 M-H, 2M-H, M-H2O-H C18H28O4 0.889387662 (R)-Pantothenic acid 4'-O-b-D-glucoside 380.1564494 3.126616667 HMDB0033965 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 47.2 45.1 M-H C15H27NO10 0.602739888 Glutamyllysine 274.1411339 0.668933333 HMDB0004207 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.1 38.4 M-H2O-H, M-H C11H21N3O5 0.132852411 [(oxolan-2-yl)methoxy]sulfonic acid 227.0226581 0.710833333 HMDB0126547 Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters Unclassified Unclassified 47.1 41.6 M+FA-H C5H10O5S -2.412637573 3-methyl-4-(sulfooxy)but-2-enoic acid 241.0021607 0.710833333 HMDB0128930 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 47.1 42.5 M+FA-H C5H8O6S -1.025969828 12S-hydroxy-16-heptadecynoic acid 327.2179005 10.06648333 LMFA01050146 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 47.1 45.3 M+FA-H C17H30O3 0.7185536 N-acetyl-L-2-aminoadipate(2-) 184.0607022 3.177933333 HMDB0062715 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.1 42.8 M-H2O-H C8H13NO5 -4.083241944 Phenylalanyl-Valine 309.1458569 4.92155 HMDB0029008 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.1 39.4 M+FA-H C14H20N2O3 0.990018719 N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin 320.0795379 5.3795 HMDB0040829 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 47.1 52.2 M-H2O-H C12H21NO8S -4.154071495 PGC2 379.2129766 5.9164 LMFA03010133 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05955 47.1 40.6 M+FA-H C20H30O4 1.089908593 Gibberellin A43 439.1613091 6.2448 HMDB0035046 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 47.1 40.1 M+FA-H C20H26O8 0.858536506 6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid 221.0662131 0.73875 HMDB0131286 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 47.0 44.1 M-H C8H14O7 -2.086183816 Apiosylglucosyl 4-hydroxybenzoate 431.1197449 2.768466667 HMDB0035318 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 47.0 39.2 M-H, M+FA-H C18H24O12 0.567145777 9,10,13-TriHOME(11) 329.2335432 9.213683333 LMFA02000168 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 47.0 41.4 M-H C18H34O5 0.591893202 Quinic acid 191.0553493 0.73875 HMDB0003072 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 3 C00296 46.9 41.3 M-H, 2M-H C7H12O6 -3.969309419 Tyrosyl-Glycine 219.0770377 1.120283333 HMDB0029105 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.9 49.4 M-H2O-H, M-H C11H14N2O4 -2.008227815 2-Hydroxydecanedioic acid 217.1077379 5.28065 HMDB0000424 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 46.9 40.9 M-H C10H18O5 -1.876766624 (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan 315.1241315 6.036733333 LMPK12020279 Unclassified Unclassified Unclassified Unclassified Unclassified 46.9 38.6 M-H, 2M-H C18H20O5 1.057270246 Pteroside Z 439.1975948 6.704116667 HMDB0032587 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 46.9 45.3 M+FA-H C21H30O7 0.60527081 3alpha,7alpha,12alpha-Trihydroxy-24-nor-5beta-cholan-23-al 423.2757523 7.05285 LMST04060002 Unclassified Unclassified Unclassified Unclassified Unclassified 46.9 39.7 M+FA-H C23H38O4 1.42685539 1-(O-alpha-D-glucopyranosyl)-27-keto-(1,3R,29R)-triacontanetriol 645.4957064 10.69538333 LMFA13010029 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 46.8 47.7 M-H C36H70O9 1.545198124 2-{[(2H-1,3-benzodioxol-5-yl)(hydroxy)methylidene]amino}acetic acid 204.0295498 4.325166667 HMDB0129380 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.8 47.0 M-H2O-H C10H9NO5 -3.055278049 8-Hydroxy-5,6-octadienoic acid 201.0762521 4.955766667 HMDB0031101 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 46.8 42.7 M+FA-H C8H12O3 -3.812019271 8-Isoprostaglandin F2a 353.2336382 6.63605 HMDB0005083 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C13809 46.8 43.2 M-H C20H34O5 0.819830084 L-Serine 150.0410609 0.766866667 HMDB0000187 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00065 46.7 39.4 M+FA-H C3H7NO3 2.522115364 Serylvaline 203.1030986 1.05315 HMDB0029052 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.7 41.5 M-H C8H16N2O4 -3.096416448 7-Methylhypoxanthine 149.0471282 4.823433333 HMDB0003162 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 46.7 39.1 M-H C6H6N4O 1.624583594 Caffeic acid 3-sulfate 258.9920118 4.904883333 HMDB0041706 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 46.7 43.9 M-H C9H8O7S 0.825372831 7-oxo-8-amino-nonanoic acid 186.1128448 5.44555 LMFA01060168 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C01092 46.7 45.2 M-H C9H17NO3 -3.859599765 10-keto tridecanoic acid 273.1709538 6.771683333 LMFA01060042 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 46.7 38.6 M+FA-H C13H24O3 0.904270876 15-Oxo-ETE 363.2181203 7.258066667 LMFA03060051 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C04577 46.7 39.7 M+FA-H C20H30O3 1.328179097 Dihomocholic acid 481.3175853 7.5821 LMST04020030 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 46.7 40.0 M+FA-H C26H44O5 1.164196295 Galactose-beta-1,4-xylose 357.1041144 0.682916667 HMDB0011677 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 46.6 34.6 M+FA-H C11H20O10 0.848008081 Leucyl-Hydroxyproline 243.1348878 1.648083333 HMDB0028930 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.6 38.7 M-H C11H20N2O4 -0.585363634 Cucujolide IV 239.1287451 10.47818333 LMFA07040036 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 46.6 38.4 M+FA-H C12H18O2 -0.708714667 Urothion 324.023333 4.565966667 HMDB0002377 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Unclassified Unclassified 46.6 46.0 M-H C11H11N5O3S2 0.855799602 Indoxyl sulfate 212.0017554 4.806216667 HMDB0000682 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates 3 Unclassified 46.6 46.3 M-H C8H7NO4S -2.567521794 FLOPROPIONE 181.0498635 5.363316667 44151 Unclassified Unclassified Unclassified Unclassified Unclassified 46.6 45.4 M-H C9H10O4 -4.223151682 3-Hydroxysebacic acid 217.107705 5.44555 HMDB0000350 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 46.6 40.2 M-H C10H18O5 -2.027670827 D-Linalool 3-(6''-malonylglucoside) 401.1821812 5.512683333 HMDB0040729 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 46.6 39.1 M-H C19H30O9 1.181192787 3-hydroxy-2-methyl-3-phenylpropanal 209.0813928 5.679016667 HMDB0133603 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 46.6 38.3 M+FA-H C10H12O2 -3.288966981 Cinncassiol C3 381.1921518 5.899483333 HMDB0036859 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 46.6 42.6 M-H C20H30O7 0.719259388 Genistein 4'-O-glucuronide 445.0780751 5.967566667 HMDB0041737 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Unclassified Unclassified 46.6 40.6 M-H C21H18O11 0.986676931 (E)-Suberenol 259.0975452 6.618816667 HMDB0030690 Phenylpropanoids and polyketides Coumarins and derivatives Unclassified Unclassified Unclassified 46.6 36.9 M-H C15H16O4 -0.143741633 1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 323.0986309 0.781 LMFA13010041 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 46.5 36.0 M+FA-H C11H18O8 0.936599139 O-methoxycatechol-O-sulphate 249.0074497 1.008516667 HMDB0060013 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 46.5 37.5 M+FA-H C7H8O5S 0.01197339 Demethylated antipyrine 219.0771273 1.408 HMDB0006240 Organoheterocyclic compounds Azoles Pyrazoles Unclassified C13008 46.5 37.3 M+FA-H C10H10N2O -2.232000636 16-dimethylarsinoyl-9Z-hexadecenoic acid 373.1730207 1.98655 LMFA00000032 Lipids and lipid-like molecules Fatty Acyls Other Fatty Acyls Unclassified Unclassified 46.5 40.9 M-H C18H35AsO3 0.215448986 Ezetimibe 408.1420365 4.514416667 HMDB0015108 Organoheterocyclic compounds Lactams Beta lactams Unclassified Unclassified 46.5 44.5 M-H C24H21F2NO3 0.887022876 3,4,5-trihydroxy-6-{[3-(3-hydroxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid 387.0940098 4.703683333 HMDB0124983 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 46.5 38.7 M+FA-H C15H18O9 2.118710682 Dalbergichromene 299.0926182 7.326583333 LMPK12100078 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 46.5 36.6 M+FA-H C16H14O3 0.476188472 Protocatechuic acid 153.018336 4.652083333 HMDB0001856 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 3 C00230 46.4 42.9 M-H C7H6O4 -6.467751607 Ethyl (S)-3-hydroxybutyrate glucoside 275.113873 4.7379 HMDB0031693 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 46.4 42.5 M-H2O-H C12H22O8 0.837830828 Flavin Mononucleotide 437.0873227 4.92155 HMDB0001520 Nucleosides, nucleotides, and analogues Flavin nucleotides Unclassified 2 C00061 46.4 40.9 M-H2O-H, M-H C17H21N4O9P 1.203514171 1-Methoxy-3-(4-hydroxyphenyl)-2E-propenal 4'-glucoside 371.1356469 5.34725 HMDB0034755 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 46.4 39.2 M+FA-H C16H22O7 2.732024397 1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol 301.1200935 5.3795 HMDB0035193 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 46.4 39.1 M-H, M+FA-H C15H16N2O2 0.253985872 3-Hydroxytetradecanedioic acid 273.1710076 7.019183333 HMDB0000394 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 46.4 35.9 M-H2O-H, M-H C14H26O5 0.055538176 3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane 245.139424 5.07435 LMPK09000029 Unclassified Unclassified Unclassified Unclassified Unclassified 46.3 34.2 M+FA-H C11H20O3 -0.116616897 cis-Resveratrol 3-O-glucuronide 385.0932073 6.447483333 HMDB0041711 Phenylpropanoids and polyketides Stilbenes Stilbene glycosides Unclassified Unclassified 46.3 39.4 M-H2O-H C20H20O9 0.782467848 {[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid 329.1066111 6.837066667 HMDB0126522 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 46.3 46.0 M+FA-H C14H20O4S 0.626818726 9-undecynoic acid 227.128476 7.97785 LMFA01030617 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 46.3 36.7 M+FA-H C11H18O2 -2.232950373 3-Sulfodeoxycholic acid 471.2427361 8.143833333 LMST05020038 Lipids and lipid-like molecules Sphingolipids Ceramides 1 Unclassified 46.3 45.1 M-H C24H40O7S 1.139141388 Mono-(2-ethyl-5-oxohexyl) phthalate 291.124057 8.34645 HMDB0094645 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 46.3 36.6 M-H, M+FA-H C16H20O5 0.889103355 24,25,26,27-Tetranor-23-oxo-hydroxyvitamin D3 403.249123 8.514016667 HMDB0060114 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 46.3 40.5 M+FA-H C23H34O3 0.349422738 Glucosamine 6-phosphate 258.0382579 0.668933333 HMDB0001254 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00352 46.2 35.8 M-H C6H14NO8P -0.651200733 Valyl-Cysteine 219.0806401 1.271983333 HMDB0029124 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.2 41.8 M-H C8H16N2O3S -1.121706575 Deoxycholic acid 437.2912368 10.00316667 HMDB0000626 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 C04483 46.2 36.9 M+FA-H, 2M-H, M-H C24H40O4 0.953847846 2-Acetamido-4-methylphenyl acetate 206.0816951 5.779983333 HMDB0061682 Benzenoids Phenol esters Unclassified Unclassified Unclassified 46.2 38.5 M-H C11H13NO3 -2.760758987 xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside 401.1456 6.087083333 HMDB0031695 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 46.2 36.2 M+FA-H C17H24O8 0.78458485 Deoxyloganin 355.1401369 7.10455 LMPR0102070005 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C06071 46.2 35.6 M-H2O-H C17H26O9 0.790085878 Valyl-Aspartate 231.0983485 0.781 HMDB0029123 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.1 38.9 M-H2O-H, M-H C9H16N2O5 -2.017882117 3Alpha,7Alpha,12Alpha-trihydroxy-27-nor-5Beta-cholestan-24-one 465.3224248 10.37965 LMST04020001 Unclassified Unclassified Unclassified Unclassified Unclassified 46.1 39.0 M+FA-H C26H44O4 0.623486673 (3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol 283.1917292 10.66186667 HMDB0031383 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 46.1 38.0 M+FA-H C15H26O2 1.03401629 (5-ethenyl-2-hydroxyphenyl)oxidanesulfonic acid 261.0074912 2.648933333 HMDB0124978 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 46.1 38.1 M+FA-H C8H8O5S 0.20338085 3-hydroxy-tetradecanedioic acid 273.1710453 6.361283333 LMFA01170094 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 46.1 35.6 M-H C14H26O5 1.085999878 4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid 351.057523 0.766866667 HMDB0039721 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C02273 46.0 41.0 M-H2O-H C12H18O13 1.684876764 N-Acetyl-L-aspartic acid 174.0399058 1.008516667 HMDB0000812 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C01042 46.0 38.3 M-H C6H9NO5 -5.085113399 25-Acetylvulgaroside 459.2734555 10.00316667 HMDB0041365 Lipids and lipid-like molecules Prenol lipids Sesterterpenoids 1 Unclassified 46.0 44.4 M-H2O-H C27H42O7 -3.673626491 Isoleucyl-Valine 229.1553045 3.280733333 HMDB0028920 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.0 37.1 M-H C11H22N2O3 -2.005701548 Alanyl-Phenylalanine 235.108517 4.23925 HMDB0028694 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.0 37.3 M-H C12H16N2O3 -1.266064822 Valyl-Hydroxyproline 229.1191209 5.143133333 HMDB0029128 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 46.0 43.5 M-H C10H18N2O4 -1.128750382 Pisumionoside 403.1979235 5.512683333 HMDB0039947 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 46.0 37.3 M-H C19H32O9 1.403460737 N-(3-oxo-octanoyl)-homoserine thiolactone 302.107148 5.6454 LMFA08020239 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 46.0 40.3 M+FA-H C12H19NO3S 1.480366795 (3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one 287.1502813 6.002183333 HMDB0038736 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 46.0 35.0 M-H, M+FA-H C13H22O4 -0.666079373 11-dehydro-2,3-dinor-TXB2 385.1872036 6.18385 LMFA03030013 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 46.0 34.6 M+FA-H C18H28O6 1.21156762 7alpha-Hydroxy-3,12-dioxo-5beta-cholan-24-oic Acid 449.2547907 8.194433333 LMST04010194 Unclassified Unclassified Unclassified Unclassified Unclassified 46.0 40.6 M-H, M+FA-H C24H36O5 0.511648344 Ascorbic acid 175.0239169 0.710833333 HMDB0000044 Organoheterocyclic compounds Dihydrofurans Furanones 3 C01041 45.9 39.7 M-H C6H8O6 -5.082312228 Asparaginyl-Serine 200.0669869 0.73875 HMDB0028740 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.9 38.7 M-H2O-H C7H13N3O5 -3.161007574 Pyrogallol-2-O-glucuronide 301.0567196 1.96955 HMDB0060017 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 45.9 34.4 M-H C12H14O9 0.708496046 (3,4,5,6-tetrahydroxyoxan-2-yl)methyl 4-hydroxybenzoate 299.0775861 4.66925 HMDB0125107 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 45.9 33.9 M-H C13H16O8 1.150019265 N-Acetyl-5-methoxykynuramine 281.1144627 5.847766667 HMDB0062497 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 45.9 34.9 M+FA-H C12H16N2O3 0.709009304 (S)-[8]-Gingerol 367.2128596 6.002183333 HMDB0033615 Benzenoids Phenols Methoxyphenols Unclassified C17495 45.9 36.3 M+FA-H C19H30O4 0.767511818 3-Hydroxy-5Z-octenyl acetate 231.1234844 6.344066667 HMDB0030369 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 45.9 34.3 M+FA-H C10H18O3 -1.681333694 21-Hydroxypregnenolone 377.233598 8.126933333 HMDB0004026 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05485 45.9 43.0 M+FA-H C21H32O3 0.75327963 Alpha-Lactose 341.1090208 0.710833333 HMDB0000186 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00243 45.8 35.2 M-H C12H22O11 0.250525819 Butyl (S)-3-hydroxybutyrate glucoside 321.1555123 5.3795 HMDB0031694 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 45.8 37.5 M-H C14H26O8 0.065152515 5-octenoylglycine 244.1190204 5.712733333 HMDB0094804 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.8 32.5 M+FA-H C10H17NO3 -0.129786291 (E)-10-Hydroxy-8-decenoic acid 231.1235079 5.729433333 HMDB0039533 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 45.8 34.2 M+FA-H C10H18O3 -1.554948933 5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid 185.0811678 5.967566667 HMDB0030988 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 45.8 40.0 M-H C9H14O4 -4.10931291 6-keto PGE1 367.2127173 7.275083333 3812 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05962 45.8 34.6 M-H C20H32O6 0.285246754 4-{hydroxy[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]methylidene}cyclohexa-2,5-dien-1-one 345.0829143 2.208366667 HMDB0125177 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 45.7 33.5 M+FA-H C13H16O8 0.646469827 6b-Angeloyl-3b,8b,9b-trihydroxy-7(11)-eremophilen-12,8-olide 379.1764173 5.412316667 HMDB0041228 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 45.7 32.2 M-H, M+FA-H C20H28O7 0.5011833 Butyl butyryllactate 261.1345091 5.95035 HMDB0037137 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 45.7 33.2 M+FA-H C11H20O4 0.680654764 3,4,5-trihydroxy-6-{[1-hydroxy-2-(phenylmethylidene)heptan-3-yl]oxy}oxane-2-carboxylic acid 441.17683 6.8048 HMDB0126523 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 45.7 35.1 M+FA-H C20H28O8 0.528244545 N-Acetyl-9-O-acetylneuraminic acid 350.109815 0.781 HMDB0000794 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 45.6 35.6 M-H C13H21NO10 1.553832261 (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate 263.0233249 1.136383333 1596 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 45.6 40.0 M-H C9H12O7S 0.862079134 1-Methyluric acid 181.0359017 1.44235 2821 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C16359 45.6 41.2 M-H C6H6N4O3 -4.459862804 Nigellic acid 261.1133305 10.39613333 HMDB0036094 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 45.6 32.8 M-H2O-H C15H20O5 0.349243042 (E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside 293.1244661 4.8402 HMDB0033064 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 45.6 31.1 M+FA-H C11H20O6 1.107664213 3-Hydroxylidocaine 295.1665345 5.04015 HMDB0060655 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C16560 45.6 33.2 M+FA-H C14H22N2O2 0.814336506 3-hydroxy-dodecanedioic acid 227.1285822 5.629433333 LMFA01170089 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 45.6 32.5 M-H2O-H, M+FA-H C12H22O5 -1.220618734 Testosterone sulfate 413.1642712 7.292133333 LMST05020032 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 45.6 37.8 M+FA-H C19H28O5S 0.878124835 Bisnorcholic acid 379.2493092 8.6574 HMDB0002082 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 45.6 41.9 M-H C22H36O5 0.818980945 D-Glucaro-1,4-lactone 173.0082657 0.842266667 HMDB0041862 Organoheterocyclic compounds Lactones Gamma butyrolactones Unclassified Unclassified 45.5 36.5 M-H2O-H C6H8O7 -4.664837861 gamma-Glutamylaspartic acid 261.0729429 0.99305 HMDB0030419 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.5 32.1 M-H C9H14N2O7 0.452190876 2-[3-(sulfooxy)phenyl]acetic acid 230.9965546 4.2563 HMDB0125163 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 45.5 41.7 M-H C8H8O6S -1.413461155 Cinncassiol A 427.1974341 7.680833333 HMDB0035164 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 45.5 33.6 M+FA-H C20H30O7 0.203805848 (10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one 267.1603463 9.129733333 HMDB0037605 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 45.5 33.8 M+FA-H C14H22O2 0.735976289 D-1,5-Anhydrofructose 207.050428 0.73875 HMDB0041561 Organoheterocyclic compounds Oxanes Unclassified Unclassified Unclassified 45.4 34.9 M+FA-H C6H10O5 -3.691774054 5-O-beta-D-Xylopyranosyl-L-arabinose 281.0880743 0.781 HMDB0038882 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 45.4 34.9 M-H C10H18O9 0.952224412 Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one 205.071092 1.18665 LMFA07040007 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 45.4 37.9 M+FA-H C7H12O4 -4.184132581 2-Hydroxyacetaminophen sulfate 227.9968415 1.818166667 HMDB0062547 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 45.4 37.4 M-H2O-H C8H9NO6S -1.51981209 Blepharin 372.093969 4.445533333 HMDB0029344 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 45.4 31.9 M+FA-H C14H17NO8 1.068869276 L-gamma-Glutamyl-beta-phenyl-beta-L-alanine 275.1042718 5.05715 HMDB0038514 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.4 44.9 M-H2O-H C14H18N2O5 1.840114185 Epinepetalactone 211.0970919 5.412316667 HMDB0035063 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 45.4 35.9 M+FA-H C10H14O2 -2.954180217 1-(4-hydroxyphenyl)pentan-3-one 223.0971412 6.167316667 HMDB0132981 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Unclassified Unclassified 45.4 32.1 M+FA-H C11H14O2 -2.477928855 (9R,12R,15R)-d10-13-PhytoF[13R,16R] 343.2127099 6.2608 LMFA02040005 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 45.4 31.8 M-H C18H32O6 0.283579077 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid 236.0772912 0.724833333 LMFA01050473 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 45.3 32.3 M+FA-H C7H13NO5 -1.487439829 Glutaminylvaline 244.1301235 1.086733333 HMDB0028810 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.3 33.2 M-H C10H19N3O4 -0.637043712 Daidzein 6''-O-acetate 503.1203392 5.729433333 LMPK12050015 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Unclassified Unclassified 45.3 34.1 M-H, M+FA-H C23H22O10 1.088163396 3,4,5-trihydroxy-6-{[(1E)-1-(4-methoxyphenyl)pent-1-en-3-yl]oxy}oxane-2-carboxylic acid 413.1460232 5.864966667 HMDB0132997 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 Unclassified 45.3 31.6 M+FA-H C18H24O8 1.908438493 9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid 345.2283527 7.92835 LMFA02000160 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 45.3 31.3 M-H2O-H, M-H C18H34O6 0.462146696 (10R,13R,16R)-d14-9-PhytoF[9S,12S] 343.2126879 8.44645 LMFA02040069 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 45.3 48.2 M-H C18H32O6 0.21968746 2-(Ethylamino)-4,5-dihydroxybenzamide 241.0828318 1.070166667 HMDB0032852 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 45.2 36.0 M-H, M+FA-H C9H12N2O3 -3.423008662 N2-Succinyl-L-ornithine 213.0875482 1.918916667 HMDB0001199 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C03415 45.2 32.6 M-H2O-H C9H16N2O5 -2.293418008 (20S)-1alpha,20,25-trihydroxy-24-norvitamin D3/(20S)-1alpha,20,25-trihydroxy-24-norcholecalciferol 463.3072419 10.44486667 LMST03020064 Lipids and lipid-like molecules Sterol Lipids Secosteroids Unclassified Unclassified 45.2 39.8 M+FA-H C26H42O4 1.743269839 [(5-oxo-1,7-diphenylheptan-2-yl)oxy]sulfonic acid 407.1170709 11.06006667 HMDB0134656 Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Unclassified Unclassified 45.2 33.1 M+FA-H C19H22O5S 0.202326892 Phenylalanyl-Tryptophan 350.1515275 5.830633333 HMDB0029006 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.2 31.9 M-H C20H21N3O3 1.459014579 N-palmitoyl tyrosine 464.3019407 7.63195 LMFA08020098 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 45.2 29.1 M+FA-H C25H41NO4 0.427063128 sn-glycero-3-Phosphoethanolamine 214.0481172 0.668933333 HMDB0059660 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 45.1 33.0 M-H C5H14NO6P -2.232962101 Galactonic acid 195.0502558 0.682916667 HMDB0000565 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives 2 C00880 45.1 31.1 M-H C6H12O7 -3.929917053 (22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid 385.2388683 10.03436667 LMST04010342 Unclassified Unclassified Unclassified Unclassified Unclassified 45.1 35.4 M-H C24H34O4 1.126722099 (5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 527.0508039 5.412316667 HMDB0135155 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 45.1 35.0 M-H C21H20O14S 1.333192264 3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoic acid 253.0354761 5.428783333 HMDB0129376 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 45.1 28.9 M+FA-H C10H8O5 0.480316815 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid 427.2340573 5.729433333 HMDB0030984 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 45.1 31.5 2M-H C11H18O4 0.737064088 Pandamarilactam 3x 234.113289 7.019183333 HMDB0033610 Organoheterocyclic compounds Dihydrofurans Furanones Unclassified Unclassified 45.1 31.3 M-H C13H17NO3 -1.182440237 (7Z,10Z,13Z,16Z)-docosatetraenoylcarnitine 520.3647697 10.28085 LMFA07070022 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 45.0 31.9 M+FA-H C29H49NO4 0.857808033 ent-9-L1-PhytoP 289.1812341 11.59783333 LMFA02030003 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 45.0 35.6 M-H2O-H C18H28O4 1.024748281 (2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid 242.9967789 4.8565 HMDB0124975 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 45.0 33.0 M-H C9H8O6S -0.424637162 Niazirinin 366.1198847 5.3795 HMDB0032808 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 45.0 30.8 M+FA-H C16H19NO6 1.384256034 3,4,5-trihydroxy-6-{[4-oxo-1-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}oxane-2-carboxylic acid 565.1206526 5.830633333 HMDB0128593 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 45.0 29.3 M+FA-H C24H24O13 1.459064408 {4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenyl}oxidanesulfonic acid 497.1129246 5.95035 HMDB0125814 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Unclassified Unclassified 45.0 37.0 M+FA-H C21H24O9S 1.367674748 {[3-(2-hydroxyphenyl)prop-2-en-1-yl]oxy}sulfonic acid 275.0233286 1.22085 HMDB0134048 Benzenoids Benzene and substituted derivatives Styrenes Unclassified Unclassified 44.9 30.3 M+FA-H C9H10O5S 1.005436445 Gemfibrozil 249.1495781 10.76183333 3023 Benzenoids Phenol ethers Unclassified Unclassified C07020 44.9 27.9 M-H C15H22O3 -0.159972438 Glutamylproline 225.0876345 2.412116667 HMDB0028827 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.9 29.4 M-H2O-H C10H16N2O5 -1.827263835 N-acetyltryptophan 245.0931086 4.806216667 HMDB0013713 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.9 28.5 M-H C13H14N2O3 -0.232642253 Ixocarpalactone B 483.2370509 6.788266667 HMDB0034339 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 44.9 39.6 M-H2O-H C28H38O8 -3.536393999 Prolyl-Hydroxyproline 227.1033131 0.73875 HMDB0029018 Unclassified Unclassified Unclassified Unclassified Unclassified 44.8 31.3 M-H C10H16N2O4 -1.830217036 Trans-3-hydroxy-L-proline 261.1093063 1.120283333 HMDB0059659 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05147 44.8 25.3 2M-H C5H9NO3 0.367866978 10-Formyldihydrofolate 470.1433557 4.393816667 HMDB0006485 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids Unclassified C03204 44.8 31.8 M-H C20H21N7O7 0.819366191 2-octenoylglycine 244.119062 5.864966667 HMDB0094801 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.8 29.4 M+FA-H C10H17NO3 0.078709864 Parvifuran 299.0926054 6.532666667 LMPK12160051 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 44.8 29.0 M+FA-H C16H14O3 0.425991875 (1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid 313.2025808 7.070033333 LMFA02010014 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 44.8 32.4 M+FA-H C16H28O3 1.987854085 3a,7b,21-Trihydroxy-5b-cholanoic acid 469.2809825 7.97785 HMDB0013192 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 44.8 27.6 M+FA-H, 2M-H, M-H C24H40O6 0.685010344 Imazamethabenz 273.1249451 5.1775 HMDB0034885 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.7 29.2 M-H C15H18N2O3 1.747791268 (-)-trans-Carveol glucoside 359.1718432 5.228883333 HMDB0029848 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 44.7 28.6 M+FA-H C16H26O6 2.233633158 4-Hydroxy-4-(3-pyridyl)-butanoic acid 361.1413211 5.52985 HMDB0001119 Organoheterocyclic compounds Pyridines and derivatives Unclassified 2 C19579 44.7 37.5 2M-H C9H11NO3 2.2396536 2,3-Dinor-6-keto-prostaglandin F1 a 387.2029933 5.9164 HMDB0002277 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 44.7 29.3 M+FA-H C18H30O6 1.612335016 3,4,5-trihydroxy-6-[(4,5,6-trihydroxy-2-{[(3-methoxy-3-oxopropanoyl)oxy]methyl}oxan-3-yl)oxy]oxane-2-carboxylic acid 455.1024309 0.654816667 HMDB0130022 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 44.6 34.0 M-H C16H24O15 -3.974303257 Mannitol 181.0708938 0.696866667 HMDB0000765 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C00392 44.6 32.9 M-H, M+FA-H C6H14O6 -4.766887609 (7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione 195.0656552 5.1775 96313 Unclassified Unclassified Unclassified Unclassified Unclassified 44.6 29.0 M-H, M+FA-H, M-H2O-H C10H12O4 -3.198745715 Octafluorocyclobutane 244.985247 6.447483333 HMDB0031292 Organohalogen compounds Organofluorides Unclassified Unclassified Unclassified 44.6 26.5 M+FA-H C4F8 -0.908214801 4-(5'-((1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraen-1-yl)-[3,3'-bi(1,2-dioxolan)]-5-yl)-4-hydroperoxybutanoic acid 469.2086392 7.99385 LMFA04060002 Lipids and lipid-like molecules Fatty Acyls Docosanoids Unclassified Unclassified 44.6 31.9 M+FA-H C22H32O8 1.693308406 (22R)-3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic Acid 815.5691978 9.808916667 LMST04010100 Unclassified Unclassified Unclassified Unclassified Unclassified 44.6 33.4 M-H, 2M-H, M+FA-H C24H40O5 0.732920372 Aspartyl-Isoleucine 245.114172 1.008516667 HMDB0028756 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.5 27.9 M-H2O-H, M-H C10H18N2O5 -1.413526597 N5-(3,4-Dioxo-1,5-cyclohexadien-1-yl)-L-glutamine 251.0675712 1.322616667 HMDB0035993 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.5 31.8 M-H C11H12N2O5 0.897010272 6-(2,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 301.0566467 1.699116667 HMDB0125508 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 44.5 27.8 M-H C12H14O9 0.467305139 3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate 261.0076951 4.6004 HMDB0059967 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Unclassified Unclassified 44.5 34.3 M-H C9H10O7S 0.945922406 (6S)-dehydrovomifoliol 267.1239663 6.361283333 LMPR0103050009 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C04223 44.5 30.7 M+FA-H C13H18O3 0.760607549 Varanic acid 481.3175315 7.309366667 HMDB0002195 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 44.5 29.9 M+FA-H C26H44O5 1.04088664 3a,4b,12a-Trihydroxy-5b-cholanoic acid 453.2862613 8.9835 HMDB0000330 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 44.5 28.4 M+FA-H, 2M-H, M-H C24H40O5 1.185536384 (9R,12R,15R)-d10-13-PhytoF[13S,16R] 343.2127092 9.247383333 LMFA02040007 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 44.5 36.8 M-H C18H32O6 0.281379014 L-Galacto-2-heptulose 191.0553614 1.008516667 HMDB0029901 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 44.4 30.8 M-H2O-H C7H14O7 -3.57123099 1a,1b-dihomo-PGJ2 361.2388927 10.31376667 LMFA03010158 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 44.4 28.2 M-H, M+FA-H C22H34O4 1.268597272 17-dimethylarsinoyl-9Z-heptadecenoic acid 387.18903 4.583133333 LMFA00000031 Lipids and lipid-like molecules Fatty Acyls Other Fatty Acyls Unclassified Unclassified 44.4 39.7 M-H C19H37AsO3 1.133166949 11-oxo-dodecanoic acid 259.1552891 5.091566667 LMFA01060088 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 44.4 25.2 M+FA-H C12H22O3 0.894869481 Phenylalanyl-Lysine 338.1724938 5.6128 HMDB0029000 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.4 30.4 M+FA-H C15H23N3O3 1.191638579 (4-{[2-methoxy-4-(prop-2-en-1-yl)phenoxy]carbonyl}phenyl)oxidanesulfonic acid 409.0603385 5.779983333 HMDB0135252 Phenylpropanoids and polyketides Depsides and depsidones Unclassified Unclassified Unclassified 44.4 32.1 M+FA-H C17H16O7S 1.268404683 Ramipril Diketopiperazine 443.2188043 6.2608 HMDB0060869 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.4 28.5 M+FA-H C23H30N2O4 0.110542588 Sorgolactone 315.1240719 6.5497 HMDB0039607 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 C09186 44.4 27.2 M-H, M+FA-H C18H20O5 0.868652157 3-hydroxy-2-methyl-2-[(sulfooxy)methyl]propanoic acid 194.9961817 0.781 HMDB0127651 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Unclassified Unclassified 44.3 31.7 M-H2O-H C5H10O7S -3.274618891 Clindamycin 423.1740094 4.789466667 HMDB0015321 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C06914 44.3 59.8 M-H C18H33ClN2O5S 3.335689157 PIM2(16:0/18:1(9Z)) 1141.624877 5.1259 LMGP15010055 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositolglycans Unclassified Unclassified 44.3 34.3 M-H2O-H C55H101O23P -3.79784057 3b,16a-Dihydroxyandrostenone sulfate 429.1593205 5.967566667 LMST05020022 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 44.3 34.5 M+FA-H C19H28O6S 1.192120173 3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-cholan-24-oic Acid 467.265273 7.394866667 LMST04010383 Unclassified Unclassified Unclassified Unclassified Unclassified 44.3 30.0 M-H, M+FA-H C24H38O6 1.068769112 Hoduloside II 957.5076765 9.11285 HMDB0039076 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 44.3 36.3 M-H, M+FA-H C48H78O19 1.275585601 Vorinostat 309.1458132 1.008516667 HMDB0015568 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 44.2 24.0 M+FA-H C14H20N2O3 0.824428684 Retinyl ester 347.2230555 11.36535 HMDB0003598 Lipids and lipid-like molecules Prenol lipids Retinoids 2 C02075 44.2 26.5 M+FA-H C20H30O2 0.901486009 5-oxo-7-octenoic acid 201.076247 4.652083333 LMFA01060165 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 44.2 31.3 M+FA-H C8H12O3 -3.845127186 Caffeic acid 4-sulfate 258.992037 4.7208 HMDB0041708 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 44.2 33.4 M-H C9H8O7S 0.922385458 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-glucuronide 447.1150178 4.9897 HMDB0059971 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 44.2 30.9 M-H, M+FA-H C17H22O11 1.614436891 2-iodo-hexadecanoic acid 363.1208934 5.1259 LMFA01090037 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 44.2 38.4 M-H2O-H C16H31IO2 4.857719131 (-)-12-hydroxy-9,10-dihydrojasmonic acid 227.1285719 5.28065 LMFA02020015 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 44.2 25.9 M-H C12H20O4 -1.362156344 8E-Hydroxy-4,8-dimethyl-4,9-decadienal 241.1444003 5.847766667 LMFA06000145 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Unclassified Unclassified 44.2 26.6 M+FA-H C12H20O2 -0.675452719 Cucujolide IX 239.1286713 6.0703 LMFA07040037 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 44.2 26.9 M+FA-H C12H18O2 -1.089082137 3-hydroxytridecanoic acid 275.1867023 6.5497 HMDB0061655 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 44.2 26.4 M+FA-H C13H26O3 1.323667936 Carboprost Tromethamine 367.2491105 8.06085 HMDB0014573 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 44.2 29.4 M-H, M+FA-H C21H36O5 0.306106889 Cotinine 221.092674 3.999266667 HMDB0001046 Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines 1 Unclassified 44.1 27.2 M+FA-H C10H12N2O -2.793267216 Leucyl-Aspartate 227.1033938 4.359316667 HMDB0028925 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.1 32.0 M-H2O-H C10H18N2O5 -1.36841387 [5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid 363.018902 6.01945 HMDB0133321 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Unclassified Unclassified 44.1 32.5 M-H C16H12O8S 2.445052163 4-Methoxybenzenepropanol 1-(2-sulfoglucoside) 389.0915149 6.2142 HMDB0034757 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 44.1 29.6 M-H2O-H C16H24O10S 0.828278592 [4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid 321.043975 6.395766667 HMDB0141213 Phenylpropanoids and polyketides Isoflavonoids Isoflavans Unclassified Unclassified 44.1 31.4 M-H C15H14O6S 0.441902497 testolic acid 365.1971001 7.275083333 LMST02020081 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified C01618 44.1 29.4 M+FA-H C19H28O4 0.430669397 1-a,24R,25-Trihydroxyvitamin D2 489.3226007 8.789666667 HMDB0006227 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 44.1 32.2 M+FA-H C28H44O4 0.985622808 5-(sulfooxy)pentanoic acid 197.0118039 0.710833333 HMDB0143265 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 44.0 30.8 M-H C5H10O6S -3.680053066 Glutarylglycine 188.0557078 1.037216667 HMDB0000590 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 44.0 33.9 M-H2O-H, M-H C7H11NO5 -4.835190764 Glyceryl 5-hydroxydecanoate 307.1764795 4.342416667 HMDB0032297 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 44.0 28.2 M+FA-H C13H26O5 0.963797323 Linamarin 228.0874424 4.6004 HMDB0033699 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01594 44.0 26.8 M-H2O-H C10H17NO6 -1.22909466 3,4,5-trihydroxy-6-{[(2E)-3-(3-hydroxyphenyl)-2-methylprop-2-enoyl]oxy}oxane-2-carboxylic acid 399.094769 4.8565 HMDB0133663 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acids Unclassified Unclassified 44.0 30.0 M+FA-H C16H18O9 4.190871846 3,10-dihydroxydecanoic acid 203.128265 5.712733333 LMFA01050429 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 44.0 30.8 M-H C10H20O4 -3.025783901 Thromboxane B3 413.2184781 7.6642 LMFA03030016 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 44.0 27.5 M+FA-H C20H32O6 1.049678401 Soyasapogenol B 3-O-[a-L-rhamnosyl-(1->4)-b-D-galactosyl-(1->4)-b-D-glucuronide] 987.5185664 9.313333333 HMDB0041244 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 44.0 22.9 M-H, M+FA-H C48H78O18 0.801840547 5-hydroxyhexanoylglycine 188.0920789 1.237583333 HMDB0094722 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.9 26.9 M-H C8H15NO4 -3.979827509 L-trans-alpha-Amino-2-carboxycyclopropaneacetic acid 317.0990911 1.237583333 HMDB0034442 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.9 39.2 2M-H C6H9NO4 0.163307798 Leucyl-Asparagine 244.1300944 2.42905 HMDB0028924 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.9 26.0 M-H C10H19N3O4 -0.755761037 Yohimbine 399.1929454 5.315033333 HMDB0015464 Alkaloids and derivatives Yohimbine alkaloids Unclassified Unclassified C09256 43.9 24.8 M+FA-H C21H26N2O3 1.128844443 Jasmonic acid 255.1238585 5.779983333 HMDB0032797 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 2 C08491 43.9 28.6 M+FA-H C12H18O3 0.291225323 Calystegine C1 190.071366 1.237583333 HMDB0031346 Alkaloids and derivatives Tropane alkaloids Unclassified Unclassified Unclassified 43.8 25.9 M-H C7H13NO5 -3.82074876 ({4-[2-(2,4-dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]-2-methylbut-2-en-1-yl}oxy)sulfonic acid 587.1963021 1.356966667 HMDB0129792 Phenylpropanoids and polyketides Flavonoids Flavans Unclassified Unclassified 43.8 39.0 M-H C30H36O10S 1.122325321 cis-9,10-Epoxystearic acid 297.2436844 11.81341667 36008 Unclassified Unclassified Unclassified Unclassified Unclassified 43.8 22.9 M-H C18H34O3 0.556346486 3-methyl-dodecanedioic acid 289.1660146 5.07435 LMFA01170011 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.8 25.7 M+FA-H C13H24O4 1.443537209 Aldosine 253.1194111 5.864966667 HMDB0037817 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.8 40.1 M-H C12H18N2O4 0.119752728 Ketobemidone 292.1557054 6.2448 HMDB0041913 Organoheterocyclic compounds Piperidines Phenylpiperidines Unclassified C11792 43.8 27.7 M+FA-H C15H21NO2 1.106932416 Valyl-Threonine 217.1189034 1.136383333 HMDB0029137 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.7 24.8 M-H C9H18N2O4 -2.187789557 N-gamma-L-Glutamyl-D-alanine 199.0717641 1.18665 HMDB0036301 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.7 29.5 M-H2O-H C8H14N2O5 -3.055394475 Auxin b 309.2074624 11.48123333 HMDB0038484 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 43.7 24.8 M-H2O-H, M-H C18H30O4 0.971855089 Pyridine N-oxide glucuronide 271.0702335 4.085066667 HMDB0061177 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 43.7 27.3 M-H C11H14NO7+ 1.775657571 1,5-Dibutyl methyl hydroxycitrate 333.1558808 5.696233333 HMDB0040461 Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Unclassified Unclassified 43.7 25.3 M-H C15H26O8 1.16529372 {[1-(4-methoxyphenyl)-4-methylpent-1-en-3-yl]oxy}sulfonic acid 331.0859837 5.847766667 HMDB0132959 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 43.7 27.3 M+FA-H C13H18O5S 1.000291721 Hydroxynalidixic acid 229.0615198 6.277033333 HMDB0060826 Organoheterocyclic compounds Diazanaphthalenes Naphthyridines Unclassified Unclassified 43.7 26.6 M-H2O-H C12H12N2O4 -1.394484384 2-Isopropyl-3,5-dimethoxy-6-methylpyrazine 241.1191836 5.315033333 HMDB0029741 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 43.6 24.5 M+FA-H C10H16N2O2 -1.004475286 14-hydroxy-12-tetradecenoic acid 287.1867118 5.428783333 LMFA01050178 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.6 21.5 M+FA-H C14H26O3 1.297587387 2,3-Dinor-TXB2 387.2029429 5.546283333 LMFA03030003 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 43.6 23.6 M+FA-H C18H30O6 1.465081608 (S)-Homostachydrine 202.1078844 5.629433333 HMDB0033433 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C08283 43.6 24.2 M+FA-H C8H15NO2 -3.800990048 3-p-Coumaroyl-1,5-quinolactone 301.0719833 5.729433333 HMDB0029292 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 43.6 22.5 M-H2O-H, M-H C16H16O7 0.692078486 3-phenyl-3,4-dihydro-2H-1-benzopyran-4,7-diol 287.0928546 5.79705 HMDB0130496 Phenylpropanoids and polyketides Isoflavonoids Hydroxyisoflavonoids Unclassified Unclassified 43.6 24.4 M+FA-H C15H14O3 1.476181441 4-Hydroxycyclohexylcarboxylic acid 287.150298 5.79705 HMDB0001988 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 43.6 22.4 2M-H C7H12O3 0.992318158 Ptilosteroid A 445.1910846 7.292133333 LMST02030212 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 43.6 35.6 M-H C21H34O8S 2.066396798 17-hydroxy-heptadecanoic acid 331.2492015 8.110383333 LMFA01050053 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.6 21.1 M+FA-H C17H34O3 0.711645799 Armexifolin 307.118877 8.952733333 HMDB0035596 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 43.6 26.1 M+FA-H C15H18O4 0.629681612 12-Ketodeoxycholic acid 435.275668 10.23256667 HMDB0000328 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 43.5 20.5 M+FA-H, 2M-H, M-H C24H38O4 1.166987017 Prolyl-Tyrosine 277.1194014 2.8878 HMDB0029029 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.5 23.5 M-H C14H18N2O4 0.074832181 Cotinine N-oxide 237.0879228 5.143133333 HMDB0001411 Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines Unclassified Unclassified 43.5 22.4 M+FA-H C10H12N2O2 -0.821037847 Jasmolone glucoside 387.1669391 5.143133333 HMDB0032870 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 43.5 28.8 M+FA-H C17H26O7 2.580683896 Ipomeatetrahydrofuran 301.2021945 7.08735 HMDB0040904 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 43.5 24.8 M+FA-H C15H28O3 0.573198987 2-methyl-tridecanedioic acid 257.1758737 9.920116667 LMFA01170015 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.5 21.4 M-H2O-H, M-H C14H26O4 -0.668960344 3-Keto-b-D-galactose 223.0453944 0.710833333 HMDB0001385 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 C05394 43.4 26.0 M+FA-H C6H10O6 -3.069222846 Guanadrel Sulfate 258.145948 2.5139 HMDB0014371 Organic oxygen compounds Organooxygen compounds Ethers Unclassified C07035 43.4 21.1 M+FA-H C10H19N3O2 0.085507292 Hydroxyprolyl-Proline 227.1034219 4.652083333 HMDB0028871 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.4 41.3 M-H C10H16N2O4 -1.353151831 Talaromycin A 229.1442482 5.495933333 HMDB0030143 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 43.4 20.3 M-H, 2M-H C12H22O4 -1.236318969 2-methyl-hexadecanedioic acid 345.2283511 6.532666667 LMFA01170023 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.4 21.7 M+FA-H C17H32O4 0.295635685 3-Hydroxyphenyl-valeric acid 193.0862853 6.9356 HMDB0041666 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 43.4 25.3 M-H, M+FA-H C11H14O3 -3.774238742 N-palmitoyl phenylalanine 448.307344 8.591733333 LMFA08020091 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.4 26.1 M+FA-H C25H41NO3 1.232068022 12-hydroxyheptadecanoic acid 331.2491775 8.74035 HMDB0061663 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 43.4 20.1 M+FA-H C17H34O3 0.627580864 Ambrettolic acid 269.212428 12.24333333 LMFA01050106 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.3 26.5 M-H C16H30O3 0.775719187 Coniferyl alcohol 225.0764571 4.48 HMDB0012915 Benzenoids Phenols Methoxyphenols 2 C00590 43.3 28.1 M+FA-H C10H12O3 -2.165901725 3,4-Dihydroxymandelic acid 165.0184271 5.2635 HMDB0001866 Benzenoids Phenols Benzenediols 2 C05580 43.3 26.1 M-H2O-H C8H8O5 -4.918291672 Shikimic acid 219.050609 0.781 HMDB0003070 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 3 C00493 43.2 28.4 M-H, M+FA-H C7H10O5 -5.092680788 N-Acetylisoleucine 218.1028966 1.784016667 HMDB0061684 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 43.2 23.4 M+FA-H C8H15NO3 -2.886276328 Crustecdysone 479.3017916 7.71325 HMDB0030180 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 43.2 27.5 M-H, M+FA-H C27H44O7 0.758462878 24-Nor-5beta-chol-22-ene-3alpha,12alpha-diol 391.2859063 10.39613333 LMST04060016 Unclassified Unclassified Unclassified Unclassified Unclassified 43.1 20.6 M+FA-H C23H38O2 1.510268795 N-butanoyl-lhomoserine lactone 216.0871659 3.331916667 LMFA08030002 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified C11837 43.1 21.3 M+FA-H C8H13NO3 -3.39162746 Butyl 3-O-beta-D-glucopyranosyl-butanoate 303.1452531 5.091566667 LMFA13010043 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 43.1 24.0 M-H2O-H C14H26O8 1.013329541 2-O-Methyl-D-xylose 209.0660749 0.752666667 HMDB0033821 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 43.0 22.8 M+FA-H, 2M-H C6H12O5 -3.665860218 (9S,10S)-9,10-dihydroxyoctadecanoate 315.254296 11.16521667 HMDB0059633 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C15988 43.0 21.1 M-H C18H36O4 0.673012778 2-O-p-Coumaroylhydroxycitric acid 353.0519861 5.04015 HMDB0040570 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 43.0 23.4 M-H C15H14O10 1.598224082 Meticillin 425.103272 5.091566667 HMDB0015541 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C07177 43.0 26.6 M+FA-H C17H20N2O6S 2.267044718 9-oxo-2E-decenoic acid 229.107905 5.546283333 LMFA01060082 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.0 23.9 M+FA-H C10H16O3 -1.315959589 11-Dodecenoic acid 243.1601264 5.763166667 HMDB0032248 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 43.0 17.1 M+FA-H C12H22O2 -0.284663401 Dihydrocortisol 409.2235265 6.413016667 HMDB0003259 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 2 C05471 43.0 24.4 M+FA-H C21H32O5 0.959564365 Cymorcin monoglucoside 373.1506229 7.17355 HMDB0029777 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 43.0 20.4 M+FA-H C16H24O7 0.661002218 Taurohyocholate 496.2743658 7.761516667 HMDB0011637 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C15516 43.0 25.1 M-H2O-H C26H45NO7S 1.034599125 3a,7b,12a-Trihydroxyoxocholanyl-Glycine 464.3017703 8.561033333 HMDB0000331 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 43.0 20.1 M-H, 2M-H C26H43NO6 0.018504407 4-Methyl-3Z,5-hexadienoic acid 251.1278259 8.591733333 LMFA01030792 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 43.0 21.7 2M-H C7H10O2 -4.191200993 threo-9,10-Dihydroxystearic acid 315.2542648 11.0114 LMFA01050527 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified C08314 42.9 20.8 M-H C18H36O4 0.574092462 3alpha,12alpha-Dihydroxy-11-oxo-5beta-cholan-24-oic Acid 451.2680986 4.428283333 LMST04010374 Unclassified Unclassified Unclassified Unclassified Unclassified 42.9 29.6 M+FA-H C24H38O5 -4.993259298 dapsone hydroxylamine 309.0553533 5.1088 HMDB0060984 Benzenoids Benzene and substituted derivatives Benzenesulfonyl compounds Unclassified Unclassified 42.9 22.1 M+FA-H C12H12N2O3S 1.087374364 2-Methoxyacetaminophen sulfate 242.0128935 5.1775 HMDB0062550 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 42.9 21.4 M-H2O-H C9H11NO6S 0.101675144 5-Hydroxyferulate 209.0450015 5.562866667 64176 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 2 C05619 42.9 23.7 M-H C10H10O5 -2.596684175 Calystegine B5 174.0763107 1.1036 HMDB0036383 Alkaloids and derivatives Tropane alkaloids Unclassified Unclassified Unclassified 42.8 25.9 M-H C7H13NO4 -4.973699189 N-Acetylgalactosamine 202.0713843 1.63085 HMDB0000212 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01074 42.8 21.2 M-H2O-H C8H15NO6 -3.219454815 N6-Acetyl-L-lysine 187.1080173 2.717083333 HMDB0000206 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C02727 42.8 21.4 M-H C8H16N2O3 -4.245293592 2-(3-Hydroxyphenyl)ethanol 1'-glucoside 345.1196134 5.847766667 HMDB0038332 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 42.8 20.0 M+FA-H C14H20O7 1.691100837 7,4'-Dihydroxy-8,3'-dimethoxyflavanone 315.0884259 5.899483333 LMPK12140097 Unclassified Unclassified Unclassified Unclassified Unclassified 42.8 25.9 M-H, M+FA-H C17H16O6 3.208331477 MG(0:0/14:0/0:0) 347.2440943 6.464716667 HMDB0011530 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1 Unclassified 42.8 18.8 M+FA-H C17H34O4 0.601783918 Secoeremopetasitolide A 411.1663657 8.06085 HMDB0041364 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 42.8 19.6 M+FA-H C19H26O7 0.845685318 Isolinderenolide 379.2492928 8.296233333 HMDB0038104 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 42.8 22.1 M+FA-H C21H34O3 0.882506724 D-erythro-L-galacto-Nonulose 251.0771767 0.794916667 HMDB0029955 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 42.7 18.4 M-H2O-H C9H18O9 -0.238050612 6-Hydroxy-R-phenprocoumon 277.0858177 1.57935 HMDB0060886 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Unclassified Unclassified 42.7 27.4 M-H2O-H C18H16O4 -4.053236532 Glutaminylisoleucine 258.1459336 2.140333333 HMDB0028800 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.7 19.5 M-H C11H21N3O4 0.014816701 2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] 461.1306254 3.297633333 HMDB0034157 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 42.7 18.8 M+FA-H C18H24O11 1.347918105 Ethyl beta-D-glucopyranoside 415.1839147 4.393816667 HMDB0029968 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 42.7 37.0 2M-H C8H16O6 4.360191554 (1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid 285.1710541 5.579683333 LMFA02010016 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 42.7 16.6 M+FA-H C14H24O3 1.276527285 L-Allysine Ethylene Acetal 188.0920748 1.425116667 103470 Unclassified Unclassified Unclassified Unclassified Unclassified 42.6 21.5 M-H C8H15NO4 -4.00156388 Oxamniquine 324.1567073 4.652083333 HMDB0015228 Organoheterocyclic compounds Quinolines and derivatives Nitroquinolines and derivatives Unclassified C07341 42.6 19.9 M+FA-H C14H21N3O3 0.762415789 1-Nitro-5,6-dihydroxy-dihydronaphthalene 206.0453067 4.872816667 HMDB0060328 Benzenoids Naphthalenes Nitronaphthalenes 2 C14801 42.6 17.3 M-H, 2M-H, M-H2O-H C10H9NO4 -2.775183486 6-(2-Hydroxyethoxy)-6-oxohexanoic acid 171.0653848 5.864966667 HMDB0061681 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 42.6 23.8 M-H2O-H C8H14O5 -4.722491018 2-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid 265.1080997 6.167316667 HMDB0125455 Benzenoids Benzene and substituted derivatives Phenylacetic acids Unclassified Unclassified 42.6 28.1 M-H C14H18O5 -0.178518775 20-Hydroxy-PGF2a 351.2179211 8.34645 HMDB0004049 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 42.6 22.9 M-H2O-H, M-H C20H34O6 0.603302544 beta-muricholic acid 453.2863449 8.545833333 LMST04010067 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C17727 42.6 18.4 M+FA-H, 2M-H, M-H C24H40O5 1.390214168 Uralenneoside 285.0619392 4.359316667 HMDB0041272 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 42.5 18.6 M-H C12H14O8 1.217389166 2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid 313.166043 5.830633333 LMFA13010036 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 42.5 20.6 M-H2O-H, M-H C16H28O7 1.146482022 6-Epi-7-isocucurbic acid glucoside 373.1870301 6.199233333 HMDB0029782 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 42.5 21.9 M-H C18H30O8 0.637782957 5beta-scymnol sulfate 547.2948031 6.986033333 LMST05020017 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified C16261 42.5 28.3 M-H C27H48O9S 0.319902475 11b,21-Dihydroxy-5b-pregnane-3,20-dione 393.2287259 7.6971 LMST02030188 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 1 C05475 42.5 19.6 M+FA-H C21H32O4 1.331144106 2-Ethylglutaric acid 205.0711301 2.0892 HMDB0059738 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 42.4 20.4 M+FA-H C7H12O4 -3.945881477 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate 253.0177349 5.143133333 HMDB0059993 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 42.4 17.6 M-H2O-H C11H12O6S 0.429940394 (2R*,3R*)-1,2,3-Butanetriol 211.1194831 1.356966667 HMDB0034778 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 42.3 17.1 2M-H C4H10O3 3.635422487 Arabinosylhypoxanthine 267.0735904 1.408 HMDB0003040 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified Unclassified 42.3 13.7 M-H, M+FA-H C10H12N4O5 0.363167678 9Z-Heptadecenoic acid 313.238739 10.33026667 HMDB0062437 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 42.3 15.3 M+FA-H C17H32O2 1.140117597 Aleprylic acid 241.1444221 10.79468333 LMFA01030189 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 42.3 18.0 M+FA-H C12H20O2 -0.564246532 2-[4-(sulfooxy)phenyl]acetic acid 230.9965281 3.656883333 HMDB0132500 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 42.3 25.6 M-H C8H8O6S -1.52789586 Blumenol C glucoside 371.2076518 7.17355 HMDB0040668 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 42.3 15.7 M-H, 2M-H C19H32O7 0.335399481 O-propanoyl-carnitine 262.1297254 1.408 LMFA07070005 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C03017 42.2 14.3 M+FA-H C10H19NO4 0.52691077 {4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid 401.0695783 1.851983333 HMDB0125870 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Unclassified Unclassified 42.2 26.3 M-H C20H18O7S -1.166924064 7-Hydroxy-3-oxocholanoic acid 389.2702494 11.13415 HMDB0000460 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 42.2 16.3 M-H, M+FA-H, 2M-H C24H38O4 1.322405052 Isoleucylproline 227.1397419 4.445533333 HMDB0011174 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.2 20.1 M-H, M+FA-H C11H20N2O3 -1.640097007 N-lactoyl-Valine 188.0921567 4.972966667 HMDB0062181 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.2 18.2 M-H C8H15NO4 -3.568629991 3,7-Dihydroxyflavone 253.0507545 5.729433333 LMPK12111545 Unclassified Unclassified Unclassified Unclassified Unclassified 42.2 14.5 M-H C15H10O4 0.480573004 7-oxo-11E-Tetradecenoic acid 285.1709835 5.813583333 LMFA01060186 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 42.2 18.0 M+FA-H C14H24O3 0.982561245 20-Trihydroxy-leukotriene-B4 429.2130776 6.413016667 HMDB0012643 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 42.2 21.5 M+FA-H C20H32O7 0.185824827 N6-Acetyl-5S-hydroxy-L-lysine 185.0923823 0.794916667 HMDB0033891 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.1 23.7 M-H2O-H C8H16N2O4 -3.839007986 (-)-Dioxibrassinin 313.0331563 0.794916667 HMDB0038634 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.1 29.7 M+FA-H C11H12N2O2S2 3.483926226 3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate 261.0075117 3.4004 HMDB0061117 Benzenoids Phenols Benzenediols Unclassified Unclassified 42.1 21.8 M-H C9H10O7S 0.245936523 (6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 563.1625186 4.9385 HMDB0125608 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 42.1 14.1 M+FA-H C22H30O14 1.466888383 Glucosamine-1P 258.0384767 5.331016667 HMDB0001109 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 42.1 14.1 M-H C6H14NO8P 0.193417644 3,4-dihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid 349.0936991 5.479133333 HMDB0130157 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 42.1 18.1 M-H, M+FA-H C17H18O8 2.30789178 N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine 528.26434 5.6454 HMDB0002409 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 42.1 23.4 M-H C26H43NO8S 1.281105186 2-hydroxy-3-[3-(3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid 329.0703426 6.01945 HMDB0133208 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 42.1 24.1 M-H C14H18O7S 0.894184957 2-Propyl-1,7-dioxaspiro[5.5]undecane 243.1600317 6.464716667 LMPK09000030 Unclassified Unclassified Unclassified Unclassified Unclassified 42.1 14.5 M+FA-H C12H22O2 -0.762492293 (3beta,9beta)-7-Drimene-3,11,12-triol 299.1865078 6.63605 HMDB0036053 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 42.1 16.7 M+FA-H C15H26O3 0.433616161 Maltotriose 549.1678346 0.724833333 HMDB0001262 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01835 42.0 18.4 M-H, M+FA-H C18H32O16 0.984471796 keratan sulfate I 323.1615454 5.023283333 HMDB0062483 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 42.0 13.3 M+FA-H C15H22N2O3 1.078459182 N-Propionylmethionine 204.0694806 5.2635 HMDB0094704 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 42.0 22.8 M-H C8H15NO3S -2.473905039 2,3-Dinor-8-iso-PGF2alpha 371.2076405 6.68735 LMFA03110010 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14794 42.0 13.6 M+FA-H C18H30O5 0.348302273 Icariside B8 369.1919741 6.986033333 HMDB0036846 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 42.0 15.6 M-H2O-H C19H32O8 0.250579482 PI(16:0/18:0) 837.5505979 8.9835 LMGP06010878 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols 1 Unclassified 42.0 16.7 M-H C43H83O13P 0.888403216 Phenylalanyl-Serine 251.1036925 1.52805 HMDB0029004 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.9 17.7 M-H C12H16N2O4 -0.151000062 Isoleucyl-Tyrosine 293.1509818 4.359316667 HMDB0028919 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.9 18.2 M-H C15H22N2O4 1.023464983 Paracetamol sulfate 230.0126137 4.462783333 HMDB0059911 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 41.9 21.6 M-H C8H9NO5S -1.096213818 2S-hydroxy-3-(10Z-tetradecenoyloxy)-propanoic acid 359.2079309 6.036733333 LMFA07010692 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 41.9 17.1 M+FA-H C17H30O5 1.285800167 7Z-tetradecenoic acid 271.1917326 6.167316667 LMFA01030249 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 41.9 14.7 M+FA-H C14H26O2 1.103776445 8,9,16-trihydroxy palmitic acid 303.2178205 6.90235 LMFA01050100 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 41.9 16.3 M-H C16H32O5 0.403665343 Dinor-PGE2 369.1920236 7.37805 LMFA03010210 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 41.9 12.7 M+FA-H C18H28O5 0.452585134 2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate 487.3069008 8.480166667 LMST01010191 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 41.9 19.1 M-H2O-H C29H46O7 0.76654546 D-Glucose 225.0611198 0.682916667 HMDB0000122 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00221 41.8 13.8 M+FA-H C6H12O6 -2.616780928 Leucyl-Glycine 187.1080627 1.1036 HMDB0028929 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.8 16.9 M-H C8H16N2O3 -4.004304074 O-Phosphotyrosine 242.0223723 4.872816667 HMDB0006049 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C06501 41.8 11.9 M-H2O-H C9H12NO6P -0.039538788 Indoxyl 265.0992929 5.04015 HMDB0004094 Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles 2 C05658 41.8 18.9 2M-H C8H7NO 3.914326187 Vanilloylglycine 224.0561654 5.1088 HMDB0060026 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 41.8 36.2 M-H C10H11NO5 -1.246967811 2,6-Pipecoloxylidide 277.1559794 5.46185 HMDB0060725 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.8 13.2 M+FA-H C14H20N2O 0.918514834 Lycopersiconol 379.2493697 6.63605 HMDB0029583 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 1 Unclassified 41.8 15.1 M+FA-H C21H34O3 1.112544826 (Z)-6-Tetradecene-1,3-diyne-5,8-diol 265.1446108 7.394866667 HMDB0038996 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 41.8 15.4 M+FA-H C14H20O2 0.354439311 9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol 535.3281937 8.027333333 LMST01010293 Unclassified Unclassified Unclassified Unclassified Unclassified 41.8 19.2 M-H, M+FA-H C29H46O6 0.864703292 Lithocholyltaurine 482.2951164 9.263866667 HMDB0000722 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C02592 41.8 21.3 M-H C26H45NO5S 1.134477009 Lysyl-Isoleucine 258.1824156 1.070166667 HMDB0028954 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.7 15.4 M-H C12H25N3O3 0.38723774 3a,12b-Dihydroxy-5b-cholanoic acid 391.2859502 11.1054 HMDB0000411 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C17646 41.7 14.6 M-H, M+FA-H, 2M-H C24H40O4 1.445022071 DL-2-hydroxy stearic acid 299.2593372 12.32631667 35432 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 41.7 13.8 M-H C18H36O3 0.561483477 Leucyl-Tyrosine 293.1510359 4.565966667 HMDB0028941 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.7 26.0 M-H C15H22N2O4 1.20715027 Lactarofulvene 241.1231895 6.199233333 HMDB0038163 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 41.7 11.6 M+FA-H C15H16 -1.090563344 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one 267.1603333 7.360966667 HMDB0038154 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 41.7 15.4 M-H C15H24O4 0.561013096 Convolvulinolic acid 303.2178432 7.548516667 LMFA01050046 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 41.7 16.8 M+FA-H C15H30O3 0.563488106 Methyl beta-D-glucopyranoside 175.0603253 0.781 HMDB0029965 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 41.6 18.8 M-H2O-H, M-H C7H14O6 -4.491768722 Erinacine P 491.2669815 5.315033333 HMDB0036313 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 41.6 15.3 M-H, M+FA-H C27H40O8 3.940266503 Muscomin 327.0877067 5.9164 HMDB0037250 Phenylpropanoids and polyketides Homoisoflavonoids Homoisoflavans Unclassified Unclassified 41.6 13.0 M-H2O-H, M-H C18H18O7 0.851990584 7-Epi-12-hydroxyjasmonic acid glucoside 387.1665898 6.1032 HMDB0040706 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 41.6 14.0 M-H C18H28O9 1.375113842 8Z-tetradecenoic acid 271.1917485 6.499 LMFA01030050 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 41.6 12.5 M+FA-H C14H26O2 1.173883837 Ethyl 7-epi-12-hydroxyjasmonate glucoside 397.1869351 8.194433333 HMDB0036340 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 41.6 12.2 M-H2O-H C20H32O9 0.345101034 2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one 475.2681694 8.74035 HMDB0040994 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 41.6 18.4 M+FA-H C26H38O5 -4.55015708 Glutaminylproline 224.1037085 1.086733333 HMDB0028805 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.5 15.0 M-H2O-H C10H17N3O4 -1.465821834 Isovalerylsarcosine 218.1028634 2.598383333 HMDB0002087 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.5 11.5 M+FA-H C8H15NO3 -3.077919087 4-Pyridoxolactone 210.040287 4.325166667 HMDB0003454 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C00971 41.5 17.1 M+FA-H C8H7NO3 -3.084014284 Pentoxifylline 323.1351554 4.48 HMDB0014944 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified C07424 41.5 14.0 M+FA-H C13H18N4O3 -3.372209038 4-Methoxybenzyl O-(2-sulfoglucoside) 425.0767793 4.7379 HMDB0034754 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 41.5 19.2 M+FA-H C14H20O10S 2.258966759 {[1-(2-hydroxyphenyl)-3-oxopropan-2-yl]oxy}sulfonic acid 245.0125614 4.806216667 HMDB0134069 Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Unclassified Unclassified 41.5 22.6 M-H C9H10O6S 0.117182619 Hydroxybutyrylcarnitine 228.123921 5.211683333 LMFA07070071 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 41.5 17.0 M-H2O-H C11H21NO5 -0.852198614 1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine 447.2064813 5.412316667 HMDB0041008 Organoheterocyclic compounds Pyridines and derivatives Phenylpyridines 2 C16038 41.5 14.0 2M-H C13H12N4 3.045315116 (ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid 349.2023109 5.830633333 HMDB0036701 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 41.5 17.4 M-H, M+FA-H C20H30O5 0.751766721 16,16-dimethyl-PGD2 379.2492633 7.224516667 LMFA03010052 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 41.5 14.0 M-H, M+FA-H C22H36O5 0.698252846 N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine 510.2534982 8.044016667 HMDB0002496 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 C15559 41.5 18.5 M-H2O-H C26H43NO8S 0.757527376 alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol 270.1097533 1.9526 HMDB0062444 Organoheterocyclic compounds Pyridines and derivatives Unclassified 2 C19580 41.4 13.3 M+FA-H C10H15N3O3 0.928723511 {[3-(2-hydroxyphenyl)oxiran-2-yl]methoxy}sulfonic acid 245.0125376 4.9897 HMDB0134080 Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Unclassified Unclassified 41.4 22.1 M-H C9H10O6S 0.020223001 Prolylphenylalanine 261.1249054 5.04015 HMDB0011179 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.4 15.0 M-H C14H18N2O3 1.676349683 Crispane 365.2334824 7.292133333 HMDB0038694 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 41.4 11.1 M+FA-H C20H32O3 0.420587844 1-(3,5-Dihydroxyphenyl)-2-pentadecanone 379.249238 7.446366667 HMDB0035283 Benzenoids Phenols Benzenediols Unclassified Unclassified 41.4 16.5 M+FA-H C21H34O3 0.71863784 Telbivudine 287.0886933 1.918916667 HMDB0015394 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides Unclassified Unclassified 41.3 8.16 M-H, M+FA-H C10H14N2O5 -0.786762123 (S)-14-Methylhexadecanoic acid 315.2541883 10.37965 HMDB0031067 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 41.3 10.2 M+FA-H C17H34O2 0.388789247 1-(beta-D-Glucopyranosyloxy)-3-octanone 305.1608659 5.1603 HMDB0031315 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 41.3 17.8 M-H C14H26O7 0.944571649 9-hydroxy-16-oxo-hexadecanoic acid 331.2129434 5.813583333 LMFA01170059 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 41.3 15.6 M+FA-H C16H30O4 1.156890639 Histidinyl-Methionine 267.0911744 4.634816667 HMDB0028891 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.2 14.6 M-H2O-H C11H18N4O3S -3.306128296 Dihydroferulic acid 4-O-glucuronide 417.1044711 4.772233333 HMDB0041723 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 41.2 12.6 M+FA-H C16H20O10 1.669810769 DIBOA-Glc 342.0834021 4.92155 HMDB0033734 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 41.2 18.5 M-H, M+FA-H C14H17NO9 1.01261358 hydroxyisovaleroyl carnitine 260.1507032 4.9385 LMFA07070073 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 41.2 16.9 M-H C12H23NO5 1.366297622 Dictyoquinazol B 327.1361444 5.143133333 HMDB0040441 Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Unclassified Unclassified 41.2 14.4 M-H C18H20N2O4 3.393981102 Caproic acid 231.1598796 6.229033333 LMFA01010006 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C01585 41.2 10.2 2M-H C6H12O2 -1.306111504 Frangulanine 481.3176126 7.99385 HMDB0030199 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C10003 41.2 21.3 M-H2O-H C28H44N4O4 -1.603260679 Leucyl-Alanine 201.1237343 1.493833333 HMDB0028922 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 41.1 15.7 M-H C9H18N2O3 -3.620031511 Dide-O-methylsimmondsin 392.1203734 4.1537 HMDB0041207 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 41.1 12.8 M+FA-H C14H21NO9 1.553433351 3-Hydroxysuberic acid 171.0654043 5.44555 HMDB0000325 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 41.1 18.2 M-H2O-H C8H14O5 -4.619535602 Kanzonol L 469.2042078 0.598866667 HMDB0041116 Phenylpropanoids and polyketides Isoflavonoids Isoflavans Unclassified Unclassified 41.0 27.3 M-H2O-H C30H32O6 4.42466995 P-Toluenesulfonic acid 171.0112044 4.136516667 HMDB0059933 Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives 3 C06677 41.0 17.9 M-H C7H8O3S -5.43104182 (-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside 389.1825998 4.955766667 LMFA02020206 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 41.0 18.7 M-H C18H30O9 2.290410084 Cucujolide II 241.1442878 6.150533333 LMFA07040033 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 41.0 10.3 M+FA-H C12H20O2 -1.248750736 Carbofuran 220.097464 6.32685 HMDB0031770 Organoheterocyclic compounds Coumarans Unclassified Unclassified C14291 41.0 14.2 M-H C12H15NO3 -2.048332505 Oleandolide 385.223584 6.670466667 LMPK04000031 Lipids and lipid-like molecules Polyketides Macrolides and lactone polyketides 2 C11990 41.0 16.4 M-H C20H34O7 1.053877095 Pyridylacetylglycine 239.0671464 1.57935 HMDB0059723 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 40.9 20.1 M+FA-H C9H10N2O3 -1.023693423 [1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropoxy]sulfonic acid 333.0290753 4.66925 HMDB0128699 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 40.9 13.1 M-H C12H14O9S 1.493077993 N-despropyl ropinirole 263.1403513 4.772233333 HMDB0060625 Organoheterocyclic compounds Indoles and derivatives Indolines Unclassified Unclassified 40.9 11.1 M+FA-H C13H18N2O 1.078455191 N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidic acid 263.1403086 5.546283333 HMDB0139638 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 40.9 10.4 M-H C14H20N2O3 0.728941749 Phenobarbital 231.0772863 5.629433333 1817 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07434 40.9 9.31 M-H C12H12N2O3 -0.988998875 Secodemethylclausenamide 284.1293929 6.2448 HMDB0032961 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 40.9 17.2 M-H C17H19NO3 0.616757724 5-Megastigmen-7-yne-3,9-diol 9-glucoside 369.1920385 6.5497 HMDB0032841 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 40.9 13.6 M-H, M+FA-H C19H30O7 0.436688146 Tuberonic acid glucoside 387.1665492 6.9526 LMFA13010032 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified C08558 40.9 17.1 M-H C18H28O9 1.270530307 Bisoprolol 324.2181699 8.62445 HMDB0014750 Benzenoids Benzene and substituted derivatives Benzylethers Unclassified C06852 40.9 13.1 M-H C18H31NO4 0.423734869 N-Acetyl-D-glucosamine 266.0883221 0.724833333 HMDB0000215 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00140 40.8 11.5 M-H, M+FA-H C8H15NO6 -2.223619767 Tazobactam 299.0443812 0.73875 HMDB0015544 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C07771 40.8 17.0 M-H C10H12N4O5S -3.942189402 Tetraacetylethylenediamine 227.1032888 2.717083333 HMDB0040573 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 40.8 10.0 M-H C10H16N2O4 -1.93659525 N-gamma-Glutamyl-S-allylcysteine 335.0918912 4.754983333 HMDB0031874 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 40.8 11.9 M+FA-H C11H18N2O5S 0.157470601 Sulfaphenazole 359.0808257 5.006433333 HMDB0015667 Organoheterocyclic compounds Azoles Pyrazoles Unclassified Unclassified 40.8 17.8 M+FA-H C15H14N4O2S -3.578315734 Aucubin 391.1178398 5.143133333 LMPR0102070006 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 C09771 40.8 18.0 M-H2O-H, M+FA-H C15H22O9 1.979601826 3,4-Dimethyl-5-pentyl-2-furanpropanoic acid 283.1553153 6.036733333 HMDB0112083 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 40.8 9.37 M+FA-H C14H22O3 0.914941529 Ascorbyl stearate 423.2757009 6.820883333 LMFA07010789 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 40.8 11.8 M-H2O-H, M+FA-H C24H42O7 1.104105354 Pentadecylic acid 287.2229796 8.591733333 LMFA01010015 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C16537 40.8 9.01 M+FA-H C15H30O2 0.811194572 [(3-methylbut-2-en-1-yl)oxy]sulfonic acid 211.0276195 0.724833333 HMDB0136691 Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters Unclassified Unclassified 40.7 12.9 M+FA-H C5H10O4S -3.391864437 2,4-Dihydroxybenzoic acid 153.0182724 2.956283333 HMDB0029666 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 3 Unclassified 40.7 15.8 M-H C7H6O4 -6.88095697 3,4,5-trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one 447.1148413 4.136516667 HMDB0128223 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 40.7 11.6 M-H2O-H C18H26O14 0.915922061 Cynaroside A 443.1928622 4.754983333 HMDB0040532 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 40.7 7.9 M-H C21H32O10 1.331496919 Deoxynivalenol 3-glucoside 503.1792511 4.955766667 HMDB0039852 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 40.7 33.2 M+FA-H C21H30O11 4.881123398 Carteolol 337.1769363 6.293183333 HMDB0014662 Organoheterocyclic compounds Quinolines and derivatives Hydroquinolines Unclassified C06874 40.7 34.1 M+FA-H C16H24N2O3 0.139714882 Streptomycin 580.2568239 6.886616667 HMDB0015214 Benzenoids Benzene and substituted derivatives Xylenes 2 C00413 40.7 11.7 M-H C21H39N7O12 -2.700019497 (25S)-5alpha-cholestan-3beta,6alpha,8beta,15alpha,16beat,26-hexol 513.3436293 7.17355 LMST01010325 Unclassified Unclassified Unclassified Unclassified Unclassified 40.7 12.6 M+FA-H C27H48O6 0.719868455 5-Methoxydimethyltryptamine 263.1403188 4.972966667 HMDB0002004 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Unclassified C08309 40.6 7.27 M+FA-H C13H18N2O 0.929104369 4-(Butoxymethyl)phenol 225.1129298 5.495933333 HMDB0039957 Benzenoids Benzene and substituted derivatives Benzylethers Unclassified Unclassified 40.6 8.78 M+FA-H C11H16O2 -1.681421621 2,3,4,5-tetranor-thromboxane B1 315.1816873 5.696233333 LMFA05000605 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 40.6 11.6 M-H C16H28O6 1.186427407 5-pentylresorcinol 225.1128824 5.763166667 LMPK15030008 Lipids and lipid-like molecules Polyketides Phenolic lipids Unclassified Unclassified 40.6 8.2 M+FA-H C11H16O2 -1.944265037 Carbamazepine 235.0881467 5.95035 HMDB0014704 Organoheterocyclic compounds Benzazepines Dibenzazepines 2 C06868 40.6 9.76 M-H, 2M-H C15H12N2O 1.949034566 [6]-Gingerdiol 5-acetate 383.2079227 6.036733333 HMDB0040567 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 40.6 9.53 M+FA-H C19H30O5 1.170059267 methyl 9-hydroperoxy-10,12-epidioxy-13,15-octadecadienoate 401.2184925 5.46185 LMFA01040040 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 40.5 10.6 M+FA-H C19H32O6 1.12545912 16alpha-hydroxyestrone 571.3065453 6.7381 LMST02010041 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 2 C05300 40.5 9.31 2M-H C18H22O3 0.056942942 3'-Hydroxy-T2 Toxin 481.2083773 7.861816667 HMDB0036601 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 40.5 7.61 M-H C24H34O10 0.946653166 Herierin III 215.0556447 1.715966667 HMDB0038760 Organoheterocyclic compounds Pyrans Pyranones and derivatives Unclassified Unclassified 40.4 9.08 M+FA-H C8H10O4 -2.745945292 5-Phosphoribosylamine 274.0336018 4.8565 HMDB0001128 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C03090 40.4 9.43 M-H, M+FA-H C5H12NO7P -2.092271356 Mabioside C 837.4239773 5.091566667 HMDB0040653 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 40.4 16.0 M+FA-H C42H64O14 -4.836193157 Cinncassiol C1 19-glucoside 587.2349944 8.262566667 HMDB0035167 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 40.4 10.2 M+FA-H C26H38O12 0.857363248 Cornudentanone 377.2336255 9.263866667 LMFA07010822 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified C10320 40.4 12.6 M-H C22H34O5 0.734227303 5C-aglycone 317.1041405 5.297816667 HMDB0004810 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 40.3 13.1 M+FA-H C16H16O4 3.964093593 Cis-zeatin-O-glucoside 362.1460986 5.363316667 HMDB0012203 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 C15546 40.3 17.4 M-H2O-H C16H23N5O6 -2.344734478 Phenylpyruvic acid 163.0391155 5.412316667 HMDB0000205 Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives 3 C00166 40.3 12.9 M-H C9H8O3 -5.804313308 Litcubinine 295.1220132 5.546283333 HMDB0032650 Organoheterocyclic compounds Tetrahydroisoquinolines Unclassified Unclassified Unclassified 40.3 18.9 M-H2O-H C18H20NO4+ 1.977532677 Valyl-Alanine 233.1152193 0.640766667 HMDB0029120 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 40.2 9.99 M+FA-H C8H16N2O3 4.911883416 Phyllanthusol B 752.2743914 4.325166667 HMDB0035904 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 40.2 17.0 M-H2O-H C35H49NO18 -3.541068956 1,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-2-(13E,17E-octadecadien-9,11-diynoyl)-sn-glycerol 913.4920017 5.2635 LMGL03016895 Lipids and lipid-like molecules Glycerolipids Triradylglycerols Unclassified Unclassified 40.2 20.7 M+FA-H C56H68O8 2.73999254 2-Acetyl-3-ethylpyrazine 299.1502829 5.363316667 HMDB0029410 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 40.2 5.97 2M-H C8H10N2O -3.553221101 1-(2-methoxy-6Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 466.292606 6.150533333 LMGP02060017 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 40.2 13.4 M-H C22H46NO7P -2.796887954 28-[Glucosyl-(1->6)-glucosyl]oleanolic acid 3-arabinoside 911.5022244 9.617416667 HMDB0036362 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 40.2 5.34 M-H, M+FA-H C47H76O17 1.369676743 (3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside 539.2867194 10.645 HMDB0034617 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 40.1 11.0 M+FA-H C27H42O8 1.109101403 Ilicifolinoside A 309.1192983 2.0037 HMDB0041186 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 40.1 6.23 M+FA-H C11H20O7 0.728803113 {[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}sulfonic acid 259.0137749 5.04015 HMDB0125614 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 40.1 12.6 M-H C6H12O9S 3.262715064 Maltoxazine 224.0924585 5.746233333 HMDB0030372 Organoheterocyclic compounds Pyrrolidines Unclassified Unclassified Unclassified 40.1 7.68 M+FA-H C10H13NO2 -2.082921645 10,11-dihydro-20-trihydroxy-leukotriene B4 385.2236563 6.199233333 HMDB0012503 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 40.1 11.0 M-H C20H34O7 1.240993181 1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3 461.2913937 9.431683333 LMST03020609 Lipids and lipid-like molecules Sterol Lipids Secosteroids Unclassified Unclassified 40.1 12.9 M+FA-H C26H40O4 1.275616384 11-deoxy-11-methylene-15-keto-PGD2 393.228821 9.482583333 LMFA03010104 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 40.1 13.8 M+FA-H C21H32O4 1.604130733 Niflumic Acid 263.0441002 1.120283333 HMDB0015573 Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes Unclassified C13698 40.0 7.44 M-H2O-H C13H9F3N2O2 1.166832562 Cinnzeylanol 429.2134975 5.44555 HMDB0036010 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 40.0 7.43 M+FA-H C20H32O7 1.278696876 Imiquimod 285.134672 5.661866667 HMDB0014862 Organoheterocyclic compounds Quinolines and derivatives Imidazoquinolines Unclassified Unclassified 40.0 13.1 M+FA-H C14H16N4 -4.278455505 N-Acetyl-leukotriene E4 526.2488606 5.696233333 HMDB0005084 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 C11361 40.0 12.1 M+FA-H C25H39NO6S 1.763589765 Leukotriene B4 381.2285987 5.779983333 HMDB0001085 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C02165 40.0 7.18 M+FA-H C20H32O4 1.000390574 Tymazoline 277.1559398 5.864966667 HMDB0015693 Lipids and lipid-like molecules Prenol lipids Monoterpenoids Unclassified Unclassified 40.0 4.8 M+FA-H C14H20N2O 0.748071301 gamma-Glutamylhistidine 265.0930726 1.374066667 HMDB0029151 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.9 8.44 M-H2O-H C11H16N4O5 -4.068385839 Metyrapone 271.1091554 5.933116667 HMDB0015146 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified C07205 39.9 2.63 M+FA-H C14H14N2O 1.501226077 PGD2-dihydroxypropanylamine 470.2760113 8.74035 LMFA03010191 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 39.9 2.2 M+FA-H C23H39NO6 0.165622248 Zedoarol 291.1240893 8.789666667 HMDB0038202 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C17490 39.9 7.81 M+FA-H C15H18O3 1.186201933 Asparaginyl-Lysine 241.1304196 0.654816667 HMDB0028736 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.8 12.6 M-H2O-H C10H20N4O4 -0.747316591 (S)C(S)S-S-Methylcysteine sulfoxide 196.0278733 0.766866667 HMDB0029432 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.8 8.87 M+FA-H C4H9NO3S -4.261889624 11-Hydroxyhexadecanoic acid 271.2281492 11.43101667 HMDB0112189 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.8 12.4 M-H C16H32O3 1.031399841 1-piperideine-2-carboxylate 253.1193192 3.246483333 HMDB0062778 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines 2 C04092 39.8 0.0 2M-H C6H9NO2 -0.241552532 7-oxo-11Z-Tetradecenoic acid 285.1710864 5.28065 LMFA01060187 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 39.8 2.37 M+FA-H C14H24O3 1.411024572 2-Hydroxy-cis-hex-2,4-dienoate 255.0873304 5.596366667 69013 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C11354 39.8 0.0 2M-H C6H8O3 -0.317747008 4-Oxo-4-(3-pyridyl)-butanamide 355.1418037 5.629433333 HMDB0001267 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 39.8 8.03 2M-H C9H10N2O2 1.754835337 15R-PGE2 methyl ester 411.2393269 5.830633333 LMFA03010095 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 39.8 4.99 M+FA-H C21H34O5 1.364741475 Betavulgaroside IX 1087.497947 7.51425 HMDB0034869 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 39.8 4.38 M-H C52H80O24 1.166401027 PGE2-dihydroxypropanylamine 470.2761735 9.808916667 LMFA03010192 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 39.8 0.361 M+FA-H C23H39NO6 0.547185172 17-phenyl-trinor-PGF2alpha isopropyl ester 475.2681284 9.808916667 LMFA03010124 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 39.8 8.3 M+FA-H C26H38O5 -4.645328124 Cytidine 242.0766536 0.654816667 HMDB0000089 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Unclassified 2 C00475 39.7 8.26 M-H2O-H, M-H C9H13N3O5 -1.867700518 Erythronic acid 135.030092 0.842266667 HMDB0000613 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.7 4.46 M-H C4H8O5 1.434215732 S-Nitrosoglutathione 335.0652037 1.61365 HMDB0004645 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.7 15.2 M-H C10H16N4O7S -4.43283604 7alpha-Hydroxy-3-oxochol-4-en-24-oic Acid 433.2599146 10.66186667 LMST04010239 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 39.7 3.74 M-H, M+FA-H C24H36O4 0.857076264 IC202B 513.3046218 4.823433333 LMFA08020183 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 39.7 4.46 M-H2O-H C23H44N6O8 0.752429512 N-(3-hydroxy-pentanoyl)-homoserine lactone 246.09829 5.28065 LMFA08030032 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 39.7 0.0 M+FA-H C9H15NO4 -0.103672434 3-Hydroxyvalproic acid 319.2127145 5.546283333 HMDB0013899 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16651 39.7 0.0 2M-H C8H16O3 0.319122521 N-[4'-hydroxy-(E)-cinnamoyl]-L-aspartic acid 557.1418663 5.6128 HMDB0029234 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.7 6.81 M-H, 2M-H C13H13NO6 0.784878554 5-Hydroxyvalproic acid 319.2127437 5.95035 2997 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16650 39.7 0.0 2M-H C8H16O3 0.410241005 PGF2alpha-EA 442.2814222 8.44645 LMFA03010075 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 C13828 39.7 9.61 M+FA-H C22H39NO5 0.996742207 Prostaglandin D2 serinol amide 470.2760171 8.9835 45398 Unclassified Unclassified Unclassified Unclassified Unclassified 39.7 0.0 M+FA-H C23H39NO6 0.179359924 Histidinyl-Histidine 291.120032 0.668933333 HMDB0028887 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.6 9.03 M-H C12H16N6O3 -3.69702159 Acamprosate 180.0327382 0.89165 HMDB0014797 Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives Unclassified Unclassified 39.6 9.58 M-H C5H11NO4S -4.773321051 L-2-Aminoadipate 6-semialdehyde 289.1407864 1.008516667 63455 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C04076 39.6 0.0 2M-H C6H11NO3 0.952707532 Azaserine 345.0802463 1.070166667 72922 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 2M-H C5H7N3O4 0.610676276 Fluorouracil 259.0282782 1.596533333 570 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives 2 C07649 39.6 0.0 2M-H C4H3FN2O2 -0.602017612 11-deoxy-16,16-dimethyl-PGE2 363.254544 10.33026667 LMFA03010062 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 39.6 2.63 M-H, M+FA-H, 2M-H C22H36O4 1.265124178 Tyrosyl-Glutamine 354.1303685 3.52015 HMDB0029103 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.6 7.31 M+FA-H C14H19N3O5 -0.987042206 AHBA 305.0779151 4.806216667 63730 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 2M-H C7H7NO3 0.01759114 Jasminine 265.0830721 4.8402 68064 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 M+FA-H C11H12N2O3 0.349833832 Orotidine 269.0417564 4.872816667 HMDB0000788 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Unclassified 2 C01103 39.6 0.488 M-H2O-H C10H12N2O8 0.805904304 Pipecolic acid 257.1507111 5.1259 HMDB0000070 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00408 39.6 0.0 2M-H C6H11NO2 0.117453976 Pimelic acid 319.1397893 5.1775 LMFA01170051 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C02656 39.6 0.0 2M-H C7H12O4 -0.162542947 Feruloylputrescine 309.1456567 5.2635 68364 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 2 C10497 39.6 0.0 M+FA-H C14H20N2O3 0.232023126 5-(3-methoxyphenyl)-4-(sulfooxy)pentanoic acid 349.0603007 5.2635 HMDB0127785 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.6 7.23 M+FA-H C12H16O7S 1.394449251 SCOPOLINE 309.1823114 5.3795 43998 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 2M-H C8H13NO2 1.06541951 Reduced pyocyanine 257.0932618 5.596366667 65644 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 0.0 M+FA-H C13H12N2O 0.452316216 N-Heptanoylglycine 186.1128075 5.95035 HMDB0013010 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.6 7.15 M-H C9H17NO3 -4.058949232 4,6,4'-Trihydroxyaurone 269.0457595 6.134933333 LMPK12130031 Unclassified Unclassified Unclassified Unclassified Unclassified 39.6 1.75 M-H C15H10O5 0.786923708 Eriojaposide B 497.2397329 9.280333333 HMDB0038029 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 39.6 6.8 M-H2O-H C25H40O11 0.991515668 (Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne 375.1264148 0.598866667 HMDB0032688 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 39.5 8.89 2M-H C12H12S 4.648445539 ICI D1694 915.2446135 0.668933333 69021 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C11372 39.5 0.0 2M-H C21H22N4O6S -0.131954441 Bis(glycerophospho)-glycerol 399.0463509 0.682916667 66064 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M-H C9H22O13P2 0.158352402 5,6-Dihydrouridine 491.1634502 1.169433333 HMDB0000497 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.5 0.0 2M-H C9H14N2O6 0.719840286 Isopropyl citrate 295.10344 1.648083333 88388 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M+FA-H C10H18O7 -0.063087606 Nicotinate D-ribonucleoside 254.0670196 1.784016667 58552 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M-H C11H13NO6 0.03504473 Sanguinarine 377.0914531 1.869 HMDB0029367 Alkaloids and derivatives Benzophenanthridine alkaloids Quaternary benzophenanthridine alkaloids Unclassified C06162 39.5 8.58 M+FA-H C20H14NO4+ 2.912670061 Mizoribine 304.0788129 1.918916667 HMDB0041934 Nucleosides, nucleotides, and analogues Imidazole ribonucleosides and ribonucleotides 1-ribosyl-imidazolecarboxamides Unclassified Unclassified 39.5 0.0 M+FA-H C9H13N3O6 0.674992326 10-Undecenyl acetate 257.1758805 10.14991667 87350 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 39.5 0.0 M+FA-H C13H24O2 0.224266945 5-(3E-Pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid 243.0873203 4.497216667 87335 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 39.5 0.0 M+FA-H C10H14O4 -0.462148761 D-Proline 229.1191029 4.514416667 HMDB0003411 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00763 39.5 0.0 2M-H C5H9NO2 -1.207081553 3-keto-2-methylbutyrate 229.0714538 4.583133333 86063 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives Unclassified Unclassified 39.5 0.0 2M-H C5H7O3- -1.338297791 N-Acetyl-D-tryptophan 227.0824074 5.091566667 65911 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 M-H2O-H C13H14N2O3 -0.787291638 3-O-alpha-L-rhamnopyranosyl-3-hydroxydecanoic acid 333.1924473 5.46185 LMFA13030003 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 39.5 12.0 M-H C16H30O7 1.706860012 Dibenzo-p-dioxin 367.0971866 5.813583333 66733 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 2M-H C12H8O2 -1.075791217 Dexnorfenfluramine 405.1770315 6.150533333 1957 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 2M-H C10H12F3N -0.148249402 3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-olate 427.0700096 6.199233333 HMDB0127811 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Unclassified Unclassified 39.5 9.37 M+FA-H C17H18O8S -1.130111258 1-Methyl-2-oxopropyl butyrate 315.1816193 7.05285 HMDB0036230 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.5 0.0 2M-H C8H14O3 0.971399075 Furfural diethyl acetal 339.1815046 7.207433333 69937 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 2M-H C9H14O3 0.565711778 Cyclohexanecarboxylic acid 255.1601698 7.412033333 HMDB0031342 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acids 2 C09822 39.5 0.0 2M-H C7H12O2 -0.050824399 N-Acetylphosphinothricin 445.1144956 8.044016667 63588 Unclassified Unclassified Unclassified Unclassified Unclassified 39.5 0.0 2M-H C7H14NO5P -0.327947954 Ethyl 4-phenylbutanoate 383.2231082 9.448716667 87813 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.5 0.0 2M-H C12H16O2 0.846193366 HC Blue No.1 300.1203031 0.6128 72968 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M-H, M+FA-H C11H17N3O4 0.040863419 Propionic acid 147.0665626 0.640766667 LMFA01010003 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acids 2 C00163 39.4 0.0 2M-H C3H6O2 1.891923544 Miglitol 206.1040832 0.640766667 HMDB0014634 Organoheterocyclic compounds Piperidines Unclassified Unclassified C07708 39.4 5.03 M-H C8H17NO5 3.316960183 beta-Alanine 134.0460423 0.752666667 HMDB0000056 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00099 39.4 2.43 M+FA-H C3H7NO2 1.80711507 Dopamine 4-sulfate 214.0174685 1.288883333 HMDB0004148 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified C13691 39.4 8.74 M-H2O-H C8H11NO5S -2.076169904 Neryl diphosphate 295.050398 1.476633333 LMPR0102010002 Lipids and lipid-like molecules Prenol lipids Isoprenoid phosphates 2 C05847 39.4 0.0 M-H2O-H C10H20O7P2 -0.595784946 N-Acetyl-ala-ala-ala-methylester 332.1465127 1.96955 68994 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+FA-H C12H21N3O5 0.658226608 N,N'-dinitrosopiperazine 287.1220335 10.05025 HMDB0041941 Organoheterocyclic compounds Diazinanes Piperazines Unclassified Unclassified 39.4 0.0 2M-H C4H8N4O2 -0.489544439 N-linolenoyl glutamic acid 452.2657985 10.23256667 LMFA08020214 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 39.4 0.443 M+FA-H C23H37NO5 1.037039899 Levoamine (Chloramphenicol D base) 423.1523931 2.0037 639 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 2M-H C9H12N2O4 0.603098259 Phenylglucuronide 315.0725428 4.23925 HMDB0059806 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.4 1.08 M+FA-H C12H14O7 1.433514833 L-Hypoglycin A 281.1509034 4.325166667 HMDB0029427 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 C08287 39.4 0.0 2M-H C7H11NO2 0.788943586 Aspergillic acid 269.1510167 4.7379 68394 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+FA-H C12H20N2O2 1.498699266 Maculosin 305.1144425 4.9385 68423 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+FA-H C14H16N2O3 0.566027355 FKGK 11 325.0865904 4.955766667 45480 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+FA-H C13H13F5O -0.959139251 (+/-)-Ethyl 2-hydroxy-2-methylbutyrate 291.1816759 4.972966667 LMFA07010693 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.4 0.0 2M-H C7H14O3 1.244828409 1-dimethylarsinoyl-(2Z,5Z, 8Z,11Z,14Z,17Z)-heneicosahexaene 449.2040931 5.1603 LMFA11000714 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 39.4 0.0 M+FA-H C23H37AsO -0.36388723 Caryoptosidic acid 373.1146539 5.194383333 HMDB0034249 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 39.4 29.2 M-H2O-H C16H24O11 1.615306762 N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanimidic acid 475.2564923 5.729433333 HMDB0139940 Benzenoids Phenols Benzenediols Unclassified Unclassified 39.4 0.973 2M-H C12H18N2O3 0.596033105 Dihydrozeatin-O-glucoside 364.1617436 5.79705 HMDB0012214 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 39.4 0.382 M-H2O-H C16H25N5O6 -2.34563595 2-Methylbenzoic acid 271.0981176 5.899483333 6632 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C07215 39.4 0.0 2M-H C8H8O2 1.966214261 Glycerophosphocholine 513.1982742 5.899483333 HMDB0000086 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 2 C00670 39.4 0.0 2M-H C8H20NO6P -0.189417693 2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione 251.1288473 6.199233333 89070 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 39.4 0.0 M-H C14H20O4 -0.140238603 N(tele)-methylhistaminium 125.095912 6.229033333 HMDB0062574 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 39.4 0.0 M-H C6H12N3+ 0.523501877 Dopamine 305.1509914 6.378516667 HMDB0000073 Benzenoids Phenols Benzenediols 3 C03758 39.4 0.0 2M-H C8H11NO2 1.014594089 Paromomycin 596.277038 6.618816667 HMDB0015490 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00832 39.4 9.77 M-H2O-H C23H45N5O14 -2.311076211 Allyxycarb 319.1664276 6.68735 72707 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 M+FA-H C16H22N2O2 0.353143151 cis-3-Hexenyl pyruvate 339.1815118 7.002533333 93001 Organic acids and derivatives Keto acids and derivatives Alpha-keto acids and derivatives Unclassified Unclassified 39.4 0.0 2M-H C9H14O3 0.586805914 11-beta-Hydroxyandrosterone-3-glucuronide 481.2447975 7.326583333 HMDB0010351 Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles 2 C05643 39.4 5.63 M-H C25H38O9 1.018517053 2,6-DIHYDROXY-4-METHOXYTOLUENE 307.1188952 8.530366667 44513 Unclassified Unclassified Unclassified Unclassified Unclassified 39.4 0.0 2M-H C8H10O3 0.59470187 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid 511.3279664 9.247383333 HMDB0030993 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 39.4 0.0 2M-H C14H24O4 0.633093836 2-Amino-3-oxobutanoate 233.0775182 0.682916667 65931 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C03508 39.3 0.0 2M-H C4H7NO3 -1.672597143 Phosphatidyl glycerol 245.0430486 0.682916667 186 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M-H, M+FA-H C6H15O8P -0.52444596 7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside 539.1390435 0.696866667 LMPK12140098 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 10.1 M+FA-H C23H26O12 -3.208930691 Ascorbate 2-sulfate 254.9816384 0.794916667 65843 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M-H C6H8O9S 0.046824729 5-azauridine 290.0633958 1.120283333 686 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+FA-H C8H11N3O6 1.664054986 Aspartyl-Serine 439.1324129 1.120283333 85676 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.3 0.0 2M-H C7H12N2O6 1.402172345 Mannopine 355.1358214 1.136383333 71286 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+FA-H C11H22N2O8 0.009185122 Methylglutaric acid 291.1088102 1.699116667 HMDB0000752 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 Unclassified 39.3 0.0 2M-H C6H10O4 0.921039802 Blennin A 499.3069532 10.26463333 HMDB0031901 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 39.3 0.0 2M-H C15H22O3 0.880426896 N-dodecanoyl-L-Homoserine lactone 328.2131973 10.36321667 64717 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+FA-H C16H29NO3 0.884963608 N-Monodesmethyl-rizatriptan 569.310423 10.59458333 HMDB0060847 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Unclassified Unclassified 39.3 0.0 2M-H C15H19N5O -0.387583601 Perillic acid 331.1917871 10.89533333 41133 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C11924 39.3 0.0 2M-H C10H14O2 0.915437791 2-Hydroxyethylphosphonate 171.0064495 14.3362 63584 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+FA-H C2H7O4P 0.406835404 Asparaginyl-Methionine 262.0867413 3.1094 HMDB0028737 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.3 3.37 M-H C9H17N3O4S 0.154703193 Proclavaminic acid 403.1838415 4.462783333 64565 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 2M-H C8H14N2O4 0.999577391 N-Methyl-N'-nitro-N-nitrosoguanidine 293.070737 4.497216667 70187 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 2M-H C2H5N5O3 -1.580201324 1-Nitronaphthalene-5,6-oxide 234.0405142 4.548783333 HMDB0060331 Benzenoids Naphthalenes Nitronaphthalenes 2 C14800 39.3 0.0 M+FA-H C10H7NO3 -1.490294159 2-Carboxy-5,7-dimethyl-4-octanolide 427.2336513 4.6004 87330 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 39.3 0.0 2M-H C11H18O4 -0.210939355 Flucytosine 257.0604295 4.703683333 2710 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 39.3 0.0 2M-H C4H4FN3O 0.100638676 Ricinine 327.1103858 4.972966667 HMDB0042006 Organoheterocyclic compounds Pyridines and derivatives 3-pyridinecarbonitriles Unclassified C01526 39.3 0.0 2M-H C8H8N2O2 1.54587051 5'-Deoxy-5-fluorocytidine 226.0645367 5.2635 HMDB0060405 Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides Unclassified 2 C16635 39.3 10.2 M-H2O-H C9H12FN3O4 4.870527288 1-Hydroxytacrine glucuronide 435.1415072 5.44555 2621 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M+FA-H C19H22N2O7 1.546203901 3-Methyladenine 297.1330136 5.495933333 62375 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 1 C00913 39.3 0.0 2M-H C6H7N5 -0.001484737 Gabaculine 277.1195857 5.546283333 69310 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 2M-H C7H9NO2 0.737354794 Methyl DL-Leucate 291.181626 5.6128 LMFA07010959 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.3 0.0 2M-H C7H14O3 1.073969398 o-Toluenesulfamide 341.0636097 5.779983333 3056 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 2M-H C7H9NO2S 0.25450963 SR 12813 485.2221927 5.9164 70985 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 M-H2O-H C24H42O7P2 -1.077066645 2-[3-hydroxy-5-(3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid 329.0704076 6.229033333 HMDB0134760 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 39.3 6.27 M-H C14H18O7S 1.090859517 CRESOPYRINE 387.1089464 6.361283333 43914 Unclassified Unclassified Unclassified 3 Unclassified 39.3 0.0 2M-H C10H10O4 1.044097514 Vasicinone 403.1406164 6.601566667 68544 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 2M-H C11H10N2O2 -1.391233308 Epitestosterone sulfate 413.1643363 6.704116667 LMST05020043 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 39.3 10.4 M+FA-H C19H28O5S 1.055015469 [3-(4-methoxyphenyl)propoxy]sulfonic acid 245.048748 6.90235 HMDB0135750 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 39.3 9.03 M-H C10H14O5S -0.691494079 Monomenthyl succinate 511.3279131 6.969433333 91299 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 39.3 0.0 2M-H C14H24O4 0.529064482 2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-7-hydroxy- 551.3595641 7.121783333 2363 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.0 2M-H C16H24N2O2 -1.295278565 N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfoxy)cholan-24-yl]-Glycine 528.263937 7.17355 LMST05030012 Unclassified Unclassified Unclassified Unclassified Unclassified 39.3 0.778 M-H C26H43NO8S 0.519820706 2,6-Dimethoxy-4-propylphenol 391.213124 7.258066667 HMDB0036226 Benzenoids Phenols Methoxyphenols 1 Unclassified 39.3 0.0 2M-H C11H16O3 1.304666498 Dihydroergotamine 582.2724867 7.761516667 HMDB0014465 Alkaloids and derivatives Ergoline and derivatives Lysergic acids and derivatives Unclassified C07798 39.3 3.13 M-H2O-H, M-H C33H37N5O5 -0.053019571 (6beta,8betaOH)-6,8-Dihydroxy-7(11)-eremophilen-12,8-olide 531.3000379 8.160583333 HMDB0035644 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 39.3 4.59 M+FA-H, 2M-H C15H22O4 1.085761702 Traumatin 423.2755295 8.772933333 HMDB0037326 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16309 39.3 0.0 2M-H C12H20O3 0.747073361 11-dehydro-TXB3 411.2028574 8.9835 LMFA03030009 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 39.3 4.78 M+FA-H C20H30O6 1.135706359 Linalyl propionate 255.1601876 9.651383333 86966 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 39.3 0.0 M+FA-H C13H22O2 0.022820367 2-C-Methyl-D-erythritol 4-phosphate 215.0322371 0.682916667 64013 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M-H C5H13O7P -1.739881498 Sakacin P 215.1032516 0.794916667 LMFA08010024 Lipids and lipid-like molecules Fatty Acyls Fatty amides 1 Unclassified 39.2 0.0 M-H C9H16N2O4 -2.216118321 Pyrocatechol glucuronide 285.0619298 1.008516667 1826 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M-H C12H14O8 1.184573855 Ethosuximide M5 309.1098122 1.05315 2600 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 2M-H C7H9NO3 1.942256106 Neobignonoside 549.1044555 10.1669 HMDB0033006 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 39.2 9.73 M-H2O-H C28H24O13 1.06634334 4-Methyl-5-hexanolide 255.1602694 11.36535 HMDB0031174 Organoheterocyclic compounds Lactones Delta valerolactones 1 Unclassified 39.2 0.0 2M-H C7H12O2 0.337967669 Iminoglycine 118.0145347 15.99553333 71099 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+FA-H C2H3NO2 -0.636370377 2,3,4-Trihydroxybenzylhydrazide 339.1310304 2.038133333 1291 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 2M-H C7H10N2O3 0.065977112 3'-Glucosyl-2',4',6'-trihydroxyacetophenone 329.088098 2.717083333 HMDB0040621 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 39.2 0.0 M-H C14H18O9 0.885346276 3-Carbamoyl-2-phenylpropionaldehyde 238.0718669 2.956283333 71245 Benzenoids Benzene and substituted derivatives Phenylacetaldehydes 2 C16587 39.2 0.0 M+FA-H C10H11NO3 -1.187285087 2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}acetic acid 254.0669588 4.05075 HMDB0131458 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 39.2 0.0 M-H C11H13NO6 -0.203541727 5-Carboxy-2'-deoxyuridine 317.0629326 4.085066667 HMDB0060774 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides Unclassified Unclassified 39.2 0.0 M+FA-H C10H12N2O7 1.025437001 2-Isopropylmalic acid 351.1301206 4.514416667 HMDB0000402 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C02504 39.2 0.0 2M-H C7H12O5 1.278099003 Cordycepin 501.1960265 4.565966667 66970 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 2M-H C10H13N5O3 -0.747977851 4-Amino-2,6-dinitrotoluene 393.080928 4.6004 71182 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 2M-H C7H7N3O4 2.266060331 1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid 305.0778312 4.61755 HMDB0032102 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 39.2 0.0 M+FA-H C13H12N2O4 -0.302165657 ACECLIDINE 214.1080537 4.686483333 44245 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+FA-H C9H15NO2 -2.529997896 Dicaffeoylputrescine 457.162226 5.07435 HMDB0033467 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 39.2 0.0 M-H, M+FA-H C22H24N2O6 0.073351903 Sultopride 353.154698 5.1088 69167 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 39.2 0.0 M-H C17H26N2O4S 1.824298055 (R)-(Homo)2-citrate 265.0567871 5.194383333 71244 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+FA-H C8H12O7 1.279353359 Metharbital 395.1939099 5.315033333 85385 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 39.2 0.0 2M-H C9H14N2O3 0.761509421 N-Carbamoyl-2-amino-2-(4-hydroxyphenyl)acetic acid 419.121571 5.331016667 87941 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.2 0.0 2M-H C9H10N2O4 1.746744066 ANTHRAQUINONE 253.0501329 5.363316667 43813 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 M+FA-H C14H8O2 -2.400823251 N-Ethylmaleimide 249.0878551 5.495933333 65769 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 2M-H C6H7NO2 -0.901364588 2,3,6-Trihydroxypyridine 253.0467048 5.495933333 63882 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 2M-H C5H5NO3 0.374720859 Caffeoyl aspartic acid 340.0677207 5.562866667 86165 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.2 0.0 M+FA-H C13H13NO7 1.071334228 Homofureanol 283.1190083 5.596366667 HMDB0033736 Organoheterocyclic compounds Dihydrofurans Furanones 1 Unclassified 39.2 0.0 2M-H C7H10O3 1.043148555 N-Hydroxyl-tryptamine 351.1816563 6.199233333 63561 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 2M-H C10H12N2O -2.820426248 Vanilpyruvic acid 419.0987123 6.199233333 HMDB0011714 Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives Unclassified Unclassified 39.2 0.0 2M-H C10H10O5 0.813889783 L-Homophenylalanine 357.1828595 6.277033333 43203 Unclassified Unclassified Unclassified Unclassified Unclassified 39.2 0.0 2M-H C10H13NO2 2.452924964 Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate 253.1081348 6.378516667 88719 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 39.2 0.0 M-H C13H18O5 -0.049027919 Citbrasine 376.1040978 6.653383333 HMDB0037797 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 39.2 0.191 M+FA-H C17H17NO6 0.929047117 6-Acetyl-1,2,3,4-tetrahydropyridine 499.3283205 7.019183333 86905 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Unclassified Unclassified 39.2 0.0 2M-H C14H22N2O2 -1.317067859 Achyranthoside C 955.4553753 7.565433333 HMDB0031024 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 39.2 5.68 M-H C47H72O20 1.000565403 (-)-9,10-dihydrojasmonic acid 423.2755278 9.634266667 LMFA02020204 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 39.2 0.0 2M-H C12H20O3 0.742980711 Ammonium lactate 152.0567467 0.640766667 85580 Organic acids and derivatives Hydroxy acids and derivatives Alpha hydroxy acids and derivatives 2 C00186 39.1 0.0 M+FA-H C3H9NO3 2.808477232 SB 203580 753.1920307 0.682916667 45450 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C21H16FN3OS -0.418434071 S-Carboxymethyl-L-cysteine 224.0230476 0.781 HMDB0029415 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.1 5.11 M-H, M+FA-H C5H9NO4S -4.775964401 N4-Acetylcytidine 284.0890801 0.781 58335 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Unclassified Unclassified Unclassified 39.1 0.0 M-H C11H15N3O6 0.95181763 Barbiturate 255.0371551 0.89165 63410 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives 2 C00813 39.1 0.0 2M-H C4H4N2O3 0.185519397 2-Keto-3-deoxyoctonate (KDO) 251.0771901 0.99305 4143 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M-H, 2M-H, M-H2O-H C9H16O8 -0.201868619 N-Acetyl-L-Histidine 242.0780818 1.008516667 44784 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 C02997 39.1 0.0 M+FA-H C8H11N3O3 -0.823398854 DL-Propargylglycine 225.0876659 1.98655 45299 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C5H7NO2 -1.833912512 D-Glyceraldehyde 3-phosphate 338.9886902 10.36321667 3294 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00118 39.1 0.0 2M-H C3H7O6P -0.242807794 (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid 377.2100961 10.4945 LMFA00000008 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 C15989 39.1 7.74 M-H2O-H C18H37O7P 0.623473109 Alanyl-Hydroxyproline 403.1836187 3.058383333 HMDB0028688 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C8H14N2O4 0.448423437 2-Acetyl-5-tetrahydroxybutyl Imidazole 459.1738522 3.4004 45499 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C9H14N2O5 1.27242124 5,6-Dihydro-5-fluorouracil 263.0595969 4.205166667 HMDB0060402 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives 2 C16630 39.1 0.0 2M-H C4H5FN2O2 -0.522363158 3-Hydroxy-2-Methylpyridine 217.0978405 4.514416667 103463 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C6H7NO -1.883144259 7-Mercaptoheptanoylthreonine 308.1176981 4.6004 71251 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+FA-H C11H21NO4S 1.391443926 1-Cyano-2-hydroxy-3-butene 193.0975931 4.772233333 HMDB0031339 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 39.1 0.0 2M-H C5H7NO -3.390644231 2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propylamino)ethyl]- glucuronide 455.1670821 4.823433333 2372 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+FA-H C19H26N2O8 -0.089192773 Cytarabine 242.0779917 5.023283333 HMDB0015122 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Unclassified Unclassified C02961 39.1 6.63 M-H C9H13N3O5 -1.038447916 3-Amino-L-Tyrosine 391.1618502 5.07435 44711 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C9H12N2O3 -1.167534719 N-Benzoyl-D-arginine-4-nitroanilide 443.1677326 5.07435 66158 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+FA-H C19H22N6O4 -1.817138548 butabarbital 423.2256665 5.1088 3940 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07827 39.1 0.0 2M-H C10H16N2O3 1.787256479 4-Aminobenzoyl-(beta)-alanine 415.1616279 5.28065 HMDB0060757 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.1 5.95 2M-H C10H12N2O3 -1.634268493 (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside 365.1820171 5.363316667 HMDB0033216 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 39.1 0.0 M-H, 2M-H C16H30O9 0.849290648 3H-1,2,4-Triazol-3-one, 5-ethyl-2,4-dihydro-2-(3-hydroxypropyl)-4-(2-phenoxyethyl)- 336.1569057 5.412316667 1478 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+FA-H C15H21N3O3 1.41249196 Miraxanthin-II 325.0679007 5.546283333 67061 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M-H C13H14N2O8 0.496071743 FENDILINE 629.3887898 5.746233333 43465 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C23H25N -2.115183841 Ethyl 2-hydroxyisovalerate 291.1816033 5.899483333 HMDB0059842 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.1 0.0 2M-H C7H14O3 0.996355687 2-Nonenoic acid 311.2231344 6.0533 HMDB0031271 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.1 0.0 2M-H C9H16O2 1.125232046 Methyl (R)-3-methyl-2-oxopentanoate 287.1502915 6.32685 92085 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.1 0.0 2M-H C7H12O3 0.969641327 Pyridoxal 333.1096521 6.430283333 HMDB0001545 Organoheterocyclic compounds Pyridines and derivatives Pyridine carboxaldehydes 2 C00250 39.1 0.0 2M-H C8H9NO3 1.323587504 Lentiginosine 313.213209 7.03615 68160 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C8H15NO2 -0.22914219 BOX B 355.14008 7.598666667 58217 Organoheterocyclic compounds Pyrrolines Unclassified Unclassified Unclassified 39.1 0.0 2M-H C9H10N2O2 -3.084981936 16a-Hydroxyestrone 571.3064019 7.6971 HMDB0000335 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 2 C05300 39.1 0.0 2M-H C18H22O3 -0.193508324 Benzeneacetonitrile, 4-hydroxy-3-methoxy-a-[3-(methylamino)propyl]-a-(1-methylethyl)- 551.3595809 7.944666667 3018 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C16H24N2O2 -1.264945695 Hippeastrine 360.1091761 7.9613 67045 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 M+FA-H C17H17NO5 0.953902412 Gamma-glutamyl-Histidine 565.2481271 8.160583333 86043 Unclassified Unclassified Unclassified Unclassified Unclassified 39.1 0.0 2M-H C11H17N5O4 -1.244280637 PA(17:2(9Z,12Z)/0:0) 465.2262619 8.2795 82341 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 39.1 0.0 M+FA-H C20H37O7P 0.877696557 PI(18:0/16:0) 837.5505053 9.808916667 HMDB0009805 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols 1 C00626 39.1 0.0 M-H C43H83O13P 0.778001089 Fructoselysine 307.1512639 0.6128 71227 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M-H C12H24N2O7 0.614160222 Propanoyl phosphate 306.9990508 0.682916667 63256 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 2M-H C3H7O5P 0.348349474 2-Keto-3-deoxy-D-gluconic acid 355.0886076 0.682916667 6184 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives 2 C01216 39.0 0.0 2M-H C6H10O6 1.145526959 Lanthionine ketimine 188.0015371 0.781 HMDB0004823 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.0 7.02 M-H, M+FA-H C6H7NO4S -4.048588878 Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)- 245.0777739 0.781 493 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H, 2M-H, M-H C8H12N2O4 -0.67877141 DL-Glycerol 1-phosphate 217.0118454 0.942083333 65927 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 2 C00093 39.0 0.0 M+FA-H C3H9O6P -0.186370693 Foscarnet 250.9369537 0.959066667 HMDB0014670 Organic acids and derivatives Organic phosphonic acids and derivatives Organic phosphonic acids 2 C06456 39.0 0.0 2M-H CH3O5P 2.423168675 Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer 324.0759856 1.008516667 88239 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C10H17NO6S 0.446071923 Etoxazole 404.1679734 1.008516667 72301 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M-H2O-H, M+FA-H C21H23F2NO2 -1.032339122 4-Imidazolone-5-acetate 283.0686696 1.1036 63489 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 2M-H C5H6N2O3 0.922121586 Cyanuric acid 257.0280085 1.152566667 HMDB0041861 Organoheterocyclic compounds Triazines 1,3,5-triazines 2 C06554 39.0 0.0 2M-H C3H3N3O3 1.561824351 PC(2:0/2:0) 386.1208553 1.288883333 LMGP01010992 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 39.0 1.56 M+FA-H C12H24NO8P -3.813602456 2-nonene-4,6,8-triynal 255.044538 1.61365 75329 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Unclassified Unclassified 39.0 0.0 2M-H C9H4O -2.402167895 Kainic acid 258.0983351 1.75015 44252 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C10H15NO4 0.113920614 gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 392.1132316 1.96955 HMDB0029394 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 39.0 0.0 M-H C14H23N3O8S -0.197577761 cis-Ethyl 4-heptenoate 311.2231114 10.28085 HMDB0032265 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.0 0.0 2M-H C9H16O2 1.051696166 (1R,2R)-3-oxo-2-pentyl-cyclopentanebutanoic acid 479.3383523 10.57776667 74962 Lipids and lipid-like molecules Fatty Acyls Octadecanoids Unclassified Unclassified 39.0 0.0 2M-H C14H24O3 1.123070125 7alpha,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-oic acid 447.3121611 11.0114 LMST04030050 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 8.95 M-H, M+FA-H C27H44O5 1.255898988 3-Acetamidopropanal 229.1190013 2.10625 72070 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 C18170 39.0 0.0 2M-H C5H9NO2 -1.648450721 3-Dehydroshikimic acid 343.0672112 2.293266667 3296 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 2M-H C7H8O5 0.409500343 1-(sn-Glycero-3-phospho)-1D-myo-inositol 379.0648414 2.717083333 62398 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols 1 C01225 39.0 0.0 M+FA-H C9H19O11P 0.420624381 Idebenone Metabolite (QS-4) 313.0931199 2.8026 761 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C13H16O6 0.853356689 Tranylcypromine glucuronide 354.1198382 3.605533333 2897 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C15H19NO6 1.287565889 Cynometrine 330.1464613 4.428283333 68408 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C16H19N3O2 1.864165924 Sarafloxacin 769.2425119 4.462783333 HMDB0039526 Organoheterocyclic compounds Quinolines and derivatives Phenylquinolines Unclassified Unclassified 39.0 0.0 2M-H C20H17F2N3O3 2.846576867 Musk xylene 342.0946482 4.497216667 73156 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C12H15N3O6 1.212280761 1,4-Naphthoquinone 315.0660297 4.548783333 65798 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 2M-H C10H6O2 -0.79957959 2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose 245.1142411 4.583133333 73461 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M-H C10H18N2O5 -0.220121059 Desethyl-N-acetylprocainamide 294.1464084 4.6004 2103 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C13H19N3O2 1.921142952 5-(3,4-Dihydroxyphenyl)-5-ethylbarbituric acid 527.1428448 4.61755 1819 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 2M-H C12H12N2O5 1.66287715 Nitrovin 405.0799351 4.754983333 73181 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C14H12N6O6 -0.277302461 TPPU 404.14263 4.789466667 96483 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C16H20F3N3O3 -3.477856744 Sinapoylputrescine 293.1510417 4.904883333 HMDB0033464 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 39.0 2.45 M-H C15H22N2O4 1.227141592 Phosphonoacetaldehyde 168.9909676 4.9385 63575 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C2H5O4P 1.770346533 1-Hydroxy-2-naphthoic acid 375.0869389 4.955766667 2389 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 2M-H C11H8O3 -1.257299996 3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid 403.1618948 4.9897 HMDB0033092 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.0 0.0 2M-H C9H14O5 2.286448626 2-(2,3,5-trihydroxy-4-methoxyphenyl)propanoic acid 227.0570482 5.05715 HMDB0125034 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 39.0 1.54 M-H C10H12O6 4.106566611 Indol-3-ylacetyl-myo-inositol L-arabinoside 514.1572967 5.091566667 66223 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C21H27NO11 1.456071678 5-hydroxysebacate 433.2085545 5.1259 86076 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 39.0 0.0 2M-H C10H17O5- 1.459220059 N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole 323.1249404 5.211683333 HMDB0011112 Nucleosides, nucleotides, and analogues Benzimidazole ribonucleosides and ribonucleotides Unclassified 2 C05775 39.0 0.0 M+FA-H C14H18N2O4 0.289187163 Phloroglucinol 251.0560505 5.395966667 65724 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives 2 C00268 39.0 0.0 2M-H C6H6O3 -0.242546658 (2E)-3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid 419.0990626 5.395966667 HMDB0125514 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 39.0 0.0 2M-H C10H10O5 1.647726982 3-Hydroxynonyl acetate 247.1550014 5.512683333 HMDB0032443 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 39.0 0.0 M+FA-H C11H22O3 -0.47510555 Glutaconylcarnitine 254.1036257 5.562866667 LMFA07070065 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.0 0.0 M-H2O-H, M-H C12H19NO6 0.840342102 Cotinine glucuronide 333.1093583 5.679016667 HMDB0001013 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides 2 C00190 39.0 0.0 M-H2O-H C16H20N2O7 0.421529285 DIAZIQUONE 407.1465818 5.746233333 44225 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C18H22N2O6 1.636033134 4-Hydroxyvalproic acid 319.2127135 5.763166667 HMDB0013900 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16649 39.0 0.0 2M-H C8H16O3 0.315862598 Tetrahydrogeranylgeranyl diphosphate 435.2063141 5.847766667 71691 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M-H2O-H C20H40O7P2 -1.69891118 Methional diethyl acetal 223.1006798 5.899483333 95982 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 39.0 0.0 M+FA-H C8H18O2S -1.537603888 Aniracetam 264.0879218 5.899483333 69562 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C12H13NO3 0.801912227 6-Methoxyquinoline 317.1298477 6.036733333 34519 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 2M-H C10H9NO 0.931368954 Bambuterol 412.209196 6.167316667 HMDB0015478 Benzenoids Benzene and substituted derivatives Phenoxy compounds Unclassified Unclassified 39.0 0.0 M+FA-H C18H29N3O5 0.740956827 3'-Hydroxy-T2-triol 443.1926367 6.167316667 90039 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 39.0 0.0 M+FA-H C20H30O8 0.918866445 N-Methylserotonin 379.2128801 6.2608 HMDB0004369 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives 2 C06212 39.0 0.0 2M-H C11H14N2O -2.813149951 Methyl (S)-2-Methylbutanoate 231.1598262 6.361283333 HMDB0029762 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 39.0 0.0 2M-H C6H12O2 -1.536206519 1,3,7-Trimethyluric Acid - 13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3) 433.1507885 6.395766667 103469 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 2M-H C[13]4C[12]4H10N[15]3N[14]O3 -3.600687074 LysoPC(10:0) 411.2394033 6.870083333 HMDB0003752 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1 Unclassified 39.0 3.04 M-H C18H39NO7P+ 0.643999023 5-Methoxytryptamine 379.2128729 6.9526 HMDB0004095 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives 2 C05659 39.0 0.0 2M-H C11H14N2O -2.832158171 2-Methyltricosane 675.7744238 6.969433333 LMFA11000354 Hydrocarbons Saturated hydrocarbons Alkanes Unclassified Unclassified 39.0 0.0 2M-H C24H50 -1.186442019 Elaeokanine C 256.1554764 7.224516667 68413 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M+FA-H C12H21NO2 0.211204607 hexa-2,4-dienoic acid 223.0971691 7.911433333 LMFA01031012 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 39.0 0.0 2M-H C6H8O2 -1.845057296 PA(17:1(9Z)/0:0) 467.242099 8.110383333 3887 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 39.0 0.0 M+FA-H C20H39O7P 1.316569589 8-Hydroxymianserin 559.3067166 8.160583333 1272 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 2M-H C18H20N2O -2.022897117 Bis(1-methylethyl) hexanedioate 229.1441556 8.39665 HMDB0041613 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C14523 39.0 0.0 M-H2O-H, M-H C12H22O4 -2.542709779 Tumonoic Acid I 478.3176682 8.591733333 65437 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 0.0 M-H2O-H C27H47NO7 0.51559812 PI(22:0/12:0) 837.5507487 8.74035 80841 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 39.0 0.0 M-H C43H83O13P 1.068267731 Pondaplin 459.1812282 9.533416667 HMDB0033184 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 39.0 0.577 2M-H C14H14O3 -0.182498971 3beta-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid 449.2549459 9.550116667 LMST04010193 Unclassified Unclassified Unclassified Unclassified Unclassified 39.0 4.13 M-H, M+FA-H C24H36O5 0.429259999 ox-LGD2 411.2028421 9.6845 LMFA03100037 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 39.0 4.15 M+FA-H C20H30O6 1.093748219 N-Desthienylethyl-rotigotine 409.2867427 9.808916667 HMDB0060843 Benzenoids Tetralins Unclassified Unclassified Unclassified 39.0 1.51 2M-H C13H19NO 1.68327411 Pindolol 495.296924 9.920116667 1943 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified C07445 39.0 0.0 2M-H C14H20N2O2 -1.52193015 3-(Methylthio)-1-propanol 211.0830992 0.6128 87889 Organosulfur compounds Thioethers Dialkylthioethers 1 Unclassified 38.9 0.0 2M-H C4H10OS -0.45365117 Glutamyl-Glycine 405.1264234 0.752666667 85733 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.9 0.0 2M-H C7H11N2O5- 0.263256699 (Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside 309.1195285 0.781 HMDB0041187 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.9 0.0 M+FA-H C11H20O7 1.600188165 1,3,7-Trimethyluric acid 419.142468 0.781 58099 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C16361 38.9 0.0 2M-H C8H10N4O3 -1.98957097 FK-409 196.0720723 1.008516667 62986 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M-H2O-H, M-H C8H13N3O4 -3.219636583 Sudan I 495.1838389 1.05315 73204 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C16H12N2O 2.396878034 Methylnoradrenaline 228.0873085 1.76715 HMDB0002832 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified C17925 38.9 0.0 M+FA-H C9H13NO3 -2.390525696 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid 235.1184718 1.801016667 HMDB0000351 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.9 0.0 2M-H C5H10O3 -1.017147376 Desflurane 334.9939986 10.56093333 HMDB0015320 Organohalogen compounds Organofluorides Unclassified Unclassified C07519 38.9 0.0 2M-H C3H2F6O -2.062275033 5,6-Dimethylbenzimidazole 291.1605309 11.31493333 4161 Organoheterocyclic compounds Benzimidazoles Unclassified 2 C03114 38.9 0.0 2M-H C9H10N2 -3.38631339 Acetylphosphate 184.985919 15.97836667 HMDB0001494 Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters 2 C00227 38.9 0.0 M+FA-H C2H5O5P 1.830481816 Isoflurophate 367.1247177 2.140333333 HMDB0014815 Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Unclassified C00202 38.9 0.0 2M-H C6H14FO3P -2.510583182 4-Hydroxyphenylpyruvic acid 359.0774856 3.00735 3315 Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives 2 C01179 38.9 0.0 2M-H C9H8O4 0.679286013 Cyproheptadine 573.3260467 4.342416667 HMDB0014578 Benzenoids Dibenzocycloheptenes Unclassified Unclassified C06935 38.9 0.0 2M-H C21H21N -2.570337373 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate 433.1106769 4.376566667 63868 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C8H11NO6 1.564403698 N-Acrylylglycine methyl ester 285.1095571 4.61755 5743 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C6H9NO3 1.213465551 4,4'-Thiobis-2-butanone 347.1364787 4.686483333 92123 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.9 0.0 2M-H C8H14O2S 2.452354569 Elenolide 223.0607019 4.703683333 HMDB0030018 Organoheterocyclic compounds Pyrans Pyranones and derivatives Unclassified C09506 38.9 6.0 M-H C11H12O5 -2.209610667 LARIXINIC ACID 251.0559743 4.7379 44509 Organoheterocyclic compounds Pyrans Pyranones and derivatives 1 C11918 38.9 0.0 2M-H C6H6O3 -0.544993271 Nifursol 410.0225973 4.7379 87927 Benzenoids Phenols Nitrophenols Unclassified Unclassified 38.9 0.0 M+FA-H C12H7N5O9 0.048258112 Prolyl-Lysine 288.1563638 4.754983333 85917 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.9 0.0 M+FA-H C11H21N3O3 -0.537047455 Isoniazid 273.1095704 4.789466667 HMDB0015086 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C07054 38.9 0.0 2M-H C6H7N3O -3.563602257 3-Nonanon-1-yl acetate 245.1393316 4.823433333 92147 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.9 0.0 M+FA-H C11H20O3 -0.578573945 Dihydro-5-fluorouracil 263.0598663 4.823433333 687 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C4H5FN2O2 0.497721915 Cyanophos 288.0100972 4.92155 72206 Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Unclassified C14430 38.9 0.0 M+FA-H C9H10NO3PS -0.026691314 Hydroxycyclohexane-carboxylic Acid 287.1503861 5.07435 44761 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C7H12O3 1.298049582 (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid 435.1304702 5.1259 HMDB0034911 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 38.9 0.0 2M-H C11H10N2O3 -1.232873134 Minoxidil-O-glucuronide 366.1414492 5.143133333 1320 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M-H2O-H C15H23N5O7 -1.188577528 Streptonigrin 551.1416936 5.211683333 65710 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+FA-H C25H22N4O8 -0.53931334 N-decanoyl-homoserine lactone 300.1819937 5.2635 LMFA08030026 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.9 0.746 M+FA-H C14H25NO3 1.36035387 Gentianamine 250.0720508 5.28065 68048 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+FA-H C11H11NO3 -0.220806727 Enoxacin 365.1276557 5.28065 HMDB0014610 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C06979 38.9 0.0 M+FA-H C15H17FN4O3 3.074242924 5-Diazouracil 275.0289306 5.331016667 70092 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C4H2N4O2 2.377936334 7-Aminoflunitrazepam 565.2145538 5.363316667 HMDB0041818 Organoheterocyclic compounds Benzodiazepines 1,4-benzodiazepines Unclassified Unclassified 38.9 4.35 2M-H C16H14FN3O -4.150893275 Dihydroclavaminic acid 399.1527721 5.412316667 64563 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C8H12N2O4 1.586398004 2-Hydroxy-4-imino-2,5-cyclohexadienone 491.1201597 5.412316667 87887 Organic nitrogen compounds Organonitrogen compounds Quinonimines Unclassified Unclassified 38.9 0.0 2M-H C12H10N2O4 -1.376585267 Isovaleric acid 203.1282845 5.479133333 HMDB0000718 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C08262 38.9 0.0 2M-H C5H10O2 -2.930274687 3-Epihydroxymugineic acid 381.1162074 5.512683333 70949 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+FA-H C12H20N2O9 3.344872485 5-Hydroxykynurenamine 359.1718233 5.6128 58203 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C05638 38.9 0.0 2M-H C9H12N2O2 -1.820045996 4-Hydroxymethylphenylhydrazine 275.1503982 5.712733333 66095 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C7H10N2O -3.44453198 Fluprostenol Lactone Diol 353.1008217 5.729433333 63038 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M-H2O-H C18H19F3O5 0.54948571 Prothiocarb 379.2207389 5.763166667 72703 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C8H18N2OS 0.123320121 Niaziminin A 444.1337694 5.882233333 HMDB0031945 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.9 2.35 M+FA-H C18H25NO7S 0.985569482 DIHYDROJASMONIC ACID, METHYL ESTER 271.1553861 5.899483333 43916 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+FA-H C13H22O3 1.276283725 (S)-Batatic acid 391.1406156 5.899483333 HMDB0035721 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.9 0.0 2M-H C10H12O4 1.974626532 N-(4-phenyl-3-oxo-tetranoyl)-homoserine lactone 306.0985475 6.002183333 LMFA08030039 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.9 0.824 M+FA-H C14H15NO4 0.906345398 Flunarizine 403.1977703 6.01945 HMDB0015589 Benzenoids Benzene and substituted derivatives Diphenylmethanes Unclassified Unclassified 38.9 7.88 M-H, M+FA-H C26H26F2N2 -3.361009455 2,3-Butanediol glucoside 297.1187295 6.087083333 HMDB0040822 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.9 3.09 M+FA-H C10H20O7 -1.492795886 VIOLASTYRENE 315.1241605 6.229033333 43626 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+FA-H C17H18O3 1.344618836 Fluometuron 463.1585103 6.309916667 72615 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 2M-H C10H11F3N2O 2.351511457 p-Coumaroylputrescine 279.1351351 6.32685 72157 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+FA-H C13H18N2O2 0.445859066 Aspidospermatine 383.198346 6.447483333 HMDB0030358 Alkaloids and derivatives Strychnos alkaloids Unclassified Unclassified C09041 38.9 2.19 M+FA-H C21H26N2O2 2.114221696 Methyl (Z)-3-hexenoate 255.1601916 6.63605 LMFA07010936 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.9 0.0 2M-H C7H12O2 0.034218439 Ancymidol 255.1138709 6.68735 72544 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M-H C15H16N2O2 -0.118662758 N-(3-oxo-dodecanoyl)-homoserine thiolactone 358.1695669 6.9526 LMFA08020241 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.9 0.0 M+FA-H C16H27NO3S 0.636456318 Tertatolol 340.1589548 7.121783333 HMDB0042026 Organoheterocyclic compounds Thiochromanes Unclassified Unclassified Unclassified 38.9 3.47 M+FA-H C16H25NO2S 0.514615107 4-Hydroxypenbutolol glucuronide 528.2464698 7.446366667 1723 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M+FA-H C24H37NO9 2.969921328 Methyl 2E-hexenoate 255.1601681 7.97785 HMDB0031500 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.9 0.0 2M-H C7H12O2 -0.057605215 Deoxycholic acid glycine conjugate 494.3128105 8.143833333 HMDB0000631 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 C05464 38.9 0.0 M+FA-H C26H43NO5 1.077455698 6-Hydroxymelatonin 495.2240784 8.160583333 HMDB0004081 Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles 2 C05643 38.9 0.0 2M-H C13H16N2O3 -1.672417708 Diisopropyl adipate 229.1441325 8.576133333 70124 Unclassified Unclassified Unclassified Unclassified Unclassified 38.9 0.0 M-H2O-H, M-H C12H22O4 -2.637354914 Cuminaldehyde 193.0863058 9.180233333 HMDB0002214 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 2 C06577 38.9 2.34 M+FA-H C10H12O -4.808331294 Rilmenidine 359.2442347 9.617416667 68861 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Unclassified Unclassified 38.9 0.0 2M-H C10H16N2O -2.817936947 cis-3-Hexenyl trans-4-hexenoate 391.2857963 9.634266667 87868 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.9 0.0 2M-H C12H20O2 1.052822673 Deoxycytosine 193.1206262 0.696866667 65704 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 2M-H C4H7N3 -0.472983716 N-Formyl-L-glutamic acid 349.0902478 0.696866667 HMDB0003470 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01045 38.8 0.0 2M-H C6H9NO5 3.940127531 PPM-18 258.056385 0.710833333 64815 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M-H2O-H, 2M-H C17H11NO3 1.201349839 Flumazenil 605.1945118 0.73875 2724 Organoheterocyclic compounds Benzodiazepines 1,4-benzodiazepines Unclassified C07825 38.8 0.0 2M-H C15H14FN3O3 -3.383156181 5-Chrysenecarboxylate 317.0813628 0.752666667 72126 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C19H12O2 -2.093885656 Ciceritol 563.1832006 0.99305 88704 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.8 0.0 M+FA-H C19H34O16 0.603549429 QUINAMIDE ISOPROPYLIDENE 276.1090314 1.008516667 43826 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C10H17NO5 0.674562292 Acrylamide-acrylic acid resin 285.1092964 1.169433333 88238 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 2M-H C6H9NO3 0.302375508 Caffeine 387.1524774 1.271983333 HMDB0001847 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 2 C07481 38.8 0.0 2M-H C8H10N4O2 -2.569248385 Leonurine 356.1465874 1.63085 71482 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C14H21N3O5 0.84775501 Acetaminophen glucuronide 372.0938884 1.784016667 HMDB0010316 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.8 0.0 M+FA-H C14H17NO8 0.822460088 {[(2E)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid 259.0282112 1.818166667 HMDB0135284 Benzenoids Benzene and substituted derivatives Styrenes Unclassified Unclassified 38.8 0.0 M+FA-H C9H10O4S 0.133396461 5-L-Glutamyl-L-alanine 217.0824247 1.9526 58376 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C03740 38.8 0.0 M-H C8H14N2O5 -2.615468418 Temurin 447.1736412 1.96955 HMDB0004328 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 38.8 0.111 2M-H C9H12N4O3 -2.148470735 Ethyl (4Z)-4,7-octadienoate 335.2231279 10.13293333 87450 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.8 0.0 2M-H C10H16O2 1.025592305 2-C-Methyl-D-erythritol 2,4-cyclodiphosphate 322.993805 10.34675 64016 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C5H12O9P2 -0.191030777 3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestane-24-one 495.3334781 10.59458333 HMDB0060137 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 38.8 7.09 M-H, M+FA-H C27H46O5 1.334443673 Compactin diol lactone 305.1760519 10.61138333 69858 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M-H2O-H, M-H C18H26O4 0.882784759 Capric acid 343.2855173 10.62818333 HMDB0000511 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C01571 38.8 0.0 2M-H C10H20O2 0.389191667 PG(O-16:0/20:2(11Z,14Z)) 805.5611417 11.1054 79824 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 38.8 0.0 M+FA-H C42H81O9P 1.469998135 LysoPE(18:2(9Z,12Z)/0:0) 476.2786937 12.09416667 HMDB0011507 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 38.8 3.5 M-H C23H44NO7P 0.902587369 6-Hydroxy-1H-indole-3-acetamide 235.0721607 2.0037 HMDB0031173 Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles Unclassified Unclassified 38.8 0.0 M+FA-H C10H10N2O2 -1.41936042 Dopamine 3-O-sulfate 232.0281836 2.072166667 HMDB0006275 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified C13690 38.8 1.41 M-H C8H11NO5S -1.43081706 Vinyl-L-NIO 244.1300933 2.140333333 62972 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C9H17N3O2 -0.935742622 2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one 198.0764559 2.547683333 90504 Organoheterocyclic compounds Azepines Unclassified Unclassified Unclassified 38.8 0.0 M-H C9H13NO4 -3.644623931 3,4-Dihydroxyphenyl ethanol 199.0605526 4.497216667 58314 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C8H10O3 -4.182947339 methyl 2-benzamidoacetate 238.0719117 4.497216667 24095 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C10H11NO3 -0.955061019 5-(2'-Carboxyethyl)-4,6-Dihydroxypicolinate 453.077071 4.583133333 HMDB0006794 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines 2 C05655 38.8 0.0 2M-H C9H9NO6 -3.58205244 Salicyluric acid 194.0452319 4.652083333 HMDB0000840 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 1 C07588 38.8 0.0 M-H C9H9NO4 -3.329594092 N6-Carbamoyl-L-threonyladenosine 411.1273784 4.686483333 95993 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified Unclassified 38.8 0.0 M-H C15H20N6O8 0.95416389 Methylsyringin 431.1564077 4.703683333 HMDB0039570 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.8 0.0 M+FA-H C18H26O9 1.352924235 (E)-10-Oxo-8-decenoic acid 367.2128059 4.7208 95336 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.8 0.0 2M-H C10H16O3 0.525806363 Folic acid 440.1327844 4.7208 246 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00504 38.8 0.0 M-H C19H19N7O6 0.860194403 DAPT 413.1684527 4.7379 64803 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M-H2O-H C23H26F2N2O4 0.53226159 Metofluthrin 359.1282522 4.789466667 69581 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M-H C18H20F4O3 1.863783175 SR95531 332.1257779 5.091566667 69708 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C15H17N3O3 2.032659193 Dhurrin 356.0993999 5.1259 HMDB0060471 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C05143 38.8 0.0 M+FA-H C14H17NO7 2.234507799 I-Methyl-4-nitro-imidazole 108.0203571 5.211683333 1193 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M-H2O-H C4H5N3O2 0.17203715 L-Baikiain 253.1193105 5.228883333 66876 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives 2 C10164 38.8 0.0 2M-H C6H9NO2 -0.275935532 2-Ethyl-1-hexanol sulfate 209.0849525 5.28065 HMDB0033373 Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters Unclassified Unclassified 38.8 1.69 M-H C8H18O4S -1.671138259 Phosphinothricin 361.0950156 5.28065 63589 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 2M-H C5H12NO4P 4.150983628 8-hydroxymianserin glucuronide 501.188248 5.315033333 1274 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C24H28N2O7 0.863533142 Abrine 263.1039525 5.479133333 44665 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C12H14N2O2 1.017538169 Methyl (9Z)-6'-oxo-6,6'-diapo-6-carotenoate 755.4318386 5.712733333 HMDB0031978 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.8 0.0 2M-H C25H30O3 0.165726681 cis-Zeatin riboside 350.1466582 5.79705 64076 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M-H C15H21N5O5 -0.951589658 N-FORMYLMETHIONYLPHENYLALANINE 369.1127918 5.79705 44227 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C15H20N2O4S 0.650399555 Perlolyrine 245.0726938 5.830633333 HMDB0030327 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified C09231 38.8 10.3 M-H2O-H C16H12N2O2 2.488727217 Hydroxyhexamide 371.1281406 5.899483333 HMDB0060610 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified Unclassified 38.8 1.25 M+FA-H C15H22N2O4S -0.277406939 trans-4,5-Dihydroxy-4,5-dihydropyrene 471.169984 5.9849 72099 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H, 2M-H C16H12O2 1.046408551 4-(Hydroxymethyl)benzenediazonium(1+) 269.1032781 6.036733333 HMDB0032593 Benzenoids Benzene and substituted derivatives Benzyl alcohols Unclassified Unclassified 38.8 0.0 2M-H C7H7N2O+ -4.150859098 (2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol 317.114455 6.036733333 HMDB0035191 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C15H16N2O3 0.587027532 Cotinine methonium ion 381.2285729 6.087083333 HMDB0001365 Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines Unclassified Unclassified 38.8 0.0 2M-H C11H15N2O+ -2.686491521 5-Hydroxycotinine 383.1716159 6.2142 6239 Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines 1 Unclassified 38.8 0.0 2M-H C10H12N2O2 -2.246278217 Dehydroxymethylflazine 555.1295522 6.309916667 95621 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 38.8 0.0 2M-H C16H10N2O3 -2.617639295 Ergoline-8-methanol, 10-methoxy-, (8b)- 317.1508057 6.464716667 1516 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 M+FA-H C16H20N2O2 0.458987445 cis-4,5-Dihydroxy-4,5-dihydropyrene 471.1622787 7.05285 72093 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 2M-H C16H12O2 4.438891931 CYTISINE 379.212875 7.156283333 43861 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 2M-H C11H14N2O -2.826670954 1,2-Benzisoxazole, 6-fluoro-3-(4-piperidinyl)- 439.1953971 7.17355 2351 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 2M-H C12H13FN2O 0.661095216 Verruculotoxin 487.3069045 7.598666667 68439 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 2M-H C15H20N2O -1.936440939 methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate 507.2238749 7.598666667 LMFA01050152 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.8 0.0 2M-H C13H18O5 0.59803861 2-ene-Valproic acid 283.1916993 7.861816667 HMDB0013902 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16653 38.8 0.0 2M-H C8H14O2 0.761446055 Lansiumamide A 497.2220833 8.027333333 93244 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acid amides Unclassified Unclassified 38.8 0.0 2M-H C17H15NO -2.746727118 10-Hydroxydesmethylnortriptyline 529.2844657 8.330033333 1609 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 2M-H C18H19NO -2.991372328 Carolinianine 551.3594779 8.3801 67969 Unclassified Unclassified Unclassified Unclassified Unclassified 38.8 0.0 2M-H C16H24N2O2 -1.451316345 PI(21:0/13:0) 837.5506719 8.545833333 80845 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 38.8 0.0 M-H C43H83O13P 0.976619587 2,4,7-Decatrienoic acid 331.1917823 9.313333333 LMFA01030962 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.8 0.0 2M-H C10H14O2 0.901023744 8-Propanoylneosolaniol 437.1820816 9.533416667 HMDB0038562 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines 1 Unclassified 38.8 1.4 M-H C22H30O9 0.856909671 L-Histidine trimethylbetaine 242.1144577 0.6128 HMDB0029422 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05575 38.7 0.0 M+FA-H C9H15N3O2 -0.872004368 Ornaline 307.1149475 0.668933333 65631 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C01683 38.7 0.0 M+FA-H C10H18N2O6 0.985485402 N-Methyl-L-glutamate 321.1305846 0.668933333 63297 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01046 38.7 0.0 2M-H C6H11NO4 0.761717416 Pyridoxamine 5'-phosphate 293.0550764 0.682916667 HMDB0001555 Organoheterocyclic compounds Pyridines and derivatives Pyridoxamines 2 C00647 38.7 0.0 M-H2O-H, M+FA-H C8H13N2O5P 0.206220653 2-(N-morpholino)ethanesulfonic acid 240.0546146 0.73875 44696 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C6H13NO4S -0.600628999 5-Aminolevulinic acid 261.1092907 0.752666667 HMDB0001149 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00430 38.7 0.0 2M-H C5H9NO3 0.308278662 Phosphocreatinine 385.0432796 0.752666667 HMDB0041624 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.7 0.0 2M-H C4H8N3O4P 0.184580718 Bis-D-fructose 2',1:2,1'-dianhydride 323.0987294 1.008516667 66164 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M-H, 2M-H C12H20O10 1.1076119 S-NEPC 360.0716828 1.008516667 64656 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C16H13NO6 -2.562071765 Propylene glycol alginate 485.1517627 1.008516667 HMDB0039860 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.7 0.0 M+FA-H C17H28O13 1.292385993 RETUSIN 7-METHYL ETHER 343.0812712 1.0224 43574 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C17H14O5 -3.540048017 Lunamarine 617.1942148 1.086733333 68519 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 2M-H C18H15NO4 2.062897194 N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine 326.0997632 1.1036 95168 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.7 0.0 M+FA-H C12H15N3O5 1.386346051 4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide 479.1408766 1.1036 HMDB0059972 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.7 0.0 M-H, M+FA-H C18H26O12 0.33526446 Triethyl citrate 321.1194156 1.120283333 HMDB0034263 Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Unclassified Unclassified 38.7 0.0 M+FA-H C12H20O7 1.121647196 (2R,2'S)-Isobuteine 252.0548166 1.22085 86955 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.7 0.0 M+FA-H C7H13NO4S 0.409498065 Benzyl methyl sulfide 183.0484017 1.322616667 HMDB0031314 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C8H10S -0.886938554 Acetoacetic acid 203.055479 1.493833333 HMDB0000060 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 2 C00164 38.7 0.0 2M-H C4H6O3 -3.100445451 Prolyl-Alanine 231.0983114 1.545133333 85908 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.7 0.0 M+FA-H C8H14N2O3 -1.793574585 L-Lyxonate 165.0408172 1.801016667 HMDB0060255 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C05412 38.7 1.07 M-H C5H10O6 2.141437663 p-Hydroxyprimidone 279.0987807 1.801016667 2086 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C12H14N2O3 0.578691542 N-formylmaleamic acid 285.0366648 1.851983333 LMFA08020194 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.7 0.582 2M-H C5H5NO4 0.790054743 1-AMINOCYCLOBUTANE CARBOXYLIC ACID 229.1190511 1.902366667 44305 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 2M-H C5H9NO2 -1.431929045 Isobutyl 2-furanpropionate 391.212055 10.36321667 HMDB0037734 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.7 0.0 2M-H C11H16O3 -1.42090861 PG(O-18:0/18:2(9Z,12Z)) 805.5616239 10.9787 LMGP04020028 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 38.7 0.0 M+FA-H C42H81O9P 2.10404986 Fosfomycin 183.0066708 15.84125 HMDB0014966 Organic acids and derivatives Organic phosphonic acids and derivatives Organic phosphonic acids 2 C06454 38.7 0.0 M+FA-H C3H7O4P 1.975070336 3,4-Dihydroxy-2-butanone 4-phosphate 164.9959759 15.85835 63860 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M-H2O-H C4H9O6P 0.773515757 Meprobamate 217.1188356 2.3612 43245 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.7 0.0 M-H C9H18N2O4 -2.498876069 Gaboxadol 279.1086107 2.598383333 44367 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 2M-H C6H8N2O2 -4.526301193 Prolyl-Methionine 245.0964954 2.7343 85918 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.7 0.0 M-H C10H18N2O3S -0.169050609 3-methyl pyruvic acid 203.0554329 2.870633333 481 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 2 C00109 38.7 0.0 2M-H C4H6O3 -3.326134145 4-hydroxy-3-methylbut-2-enoic acid 231.0870671 3.639783333 HMDB0128916 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.7 0.0 2M-H C5H8O3 -1.485039266 (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate 253.1193498 4.136516667 HMDB0012130 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00450 38.7 0.0 2M-H C6H9NO2 -0.1215167 5-oxo-pentanoic acid 231.0870935 4.18805 35847 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C03273 38.7 0.0 2M-H C5H8O3 -1.371279536 Pyricarbate 505.2059845 4.359316667 69497 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 2M-H C11H15N3O4 1.479542385 Portulacaxanthin III 535.1329776 4.565966667 67069 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 2M-H C11H12N2O6 2.204354162 Primidolol 665.3275343 4.61755 69211 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H, 2M-H C17H23N3O4 1.516560147 Alanylclavam 399.1526022 4.789466667 71634 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 2M-H C8H12N2O4 1.161710979 Heptylmalonic acid 247.1183503 4.806216667 96283 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.7 0.0 M+FA-H C10H18O4 -1.789166584 PROMETON 206.1405147 4.872816667 44586 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M-H2O-H C10H19N5O -2.684465762 Miserotoxin 248.0778759 5.07435 67029 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M-H2O-H C9H17NO8 1.12521665 Histidinyl-Leucine 313.1520704 5.1088 HMDB0028889 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C05010 38.7 0.416 M+FA-H C12H20N4O3 1.21949621 BERGENIN 327.0726268 5.194383333 43945 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M-H C14H16O9 1.43613394 5-Oxoprolinate 257.0778765 5.211683333 HMDB0060262 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01879 38.7 0.0 2M-H C5H7NO3 -0.128668812 Chelerythrine 347.1170642 5.211683333 96495 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M-H C21H18NO4+ 2.176136258 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 565.2506719 5.211683333 HMDB0041577 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.7 0.0 M-H, M+FA-H C24H40O12 1.339741597 Tyrosol 4-sulfate 263.0231001 5.246216667 HMDB0041785 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 38.7 0.0 M+FA-H C8H10O5S 0.012914388 Alendronic acid 248.0095491 5.34725 HMDB0001915 Organic acids and derivatives Organic phosphonic acids and derivatives Bisphosphonates Unclassified C07752 38.7 0.0 M-H C4H13NO7P2 0.403810848 Portuloside A 329.1610462 5.34725 HMDB0031382 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.7 0.0 M-H, M+FA-H C16H26O7 1.421963631 1-Aminocyclopropanecarboxylic acid 201.0874724 5.52985 HMDB0036458 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C01234 38.7 0.0 2M-H C4H7NO2 -3.009212624 Dihydrogeranylgeranyl diphosphate 433.1909479 5.546283333 71690 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M-H2O-H C20H38O7P2 -1.078585998 Ciliatine 249.0403809 5.562866667 HMDB0011747 Organic acids and derivatives Organic phosphonic acids and derivatives Organic phosphonic acids 2 C03557 38.7 0.0 2M-H C2H8NO3P -2.808272436 Eflornithine 391.1988556 5.596366667 2531 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 2M-H C7H14F2N2O2 3.731998345 2-Ethylisonicotinamide 299.1502867 5.813583333 2593 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 2M-H C8H10N2O -3.540686354 Graveolinine 260.0725843 5.847766667 86829 Organoheterocyclic compounds Quinolines and derivatives Unclassified Unclassified Unclassified 38.7 0.0 M-H2O-H, M+FA-H C17H13NO3 3.160616773 Anguidol 563.2900743 5.9849 91063 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.7 0.0 M-H2O-H, 2M-H C15H22O5 0.500559128 Acorusdiol 297.1709419 6.01945 87287 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.7 0.0 M+FA-H C15H24O3 0.770876191 6-Acetyl-D-glucose 267.0728123 6.361283333 65808 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C8H14O7 2.956991702 (-)-Neplanocin A 525.1981932 6.395766667 96433 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 2M-H C11H13N5O3 3.403690736 2-Naphthalenepropanol, 6-hydroxy-a-methyl- 261.1132775 6.48195 1369 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C14H16O2 0.207881323 Nitramine 214.1443473 6.567 68167 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C10H19NO -3.073226937 4'-Methoxy-alpha-pyrrolidinopropiophenone 278.1399456 6.618816667 85056 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C14H19NO2 0.703092564 2-hydroxy-10-undecenoic acid 245.139293 7.019183333 74542 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.7 0.0 M+FA-H C11H20O3 -0.771414642 PA(10:0/10:0)[U] 525.2821884 7.6971 40925 Unclassified Unclassified Unclassified Unclassified Unclassified 38.7 0.0 M+FA-H C23H45O8P -2.539116276 1-(2-methoxy-tetradecanyl)-sn-glycero-3-phosphoserine 530.2744355 7.6971 LMGP03060004 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 38.7 0.0 M+FA-H C21H44NO9P 1.780487237 4-[(2-Methyl-3-furanyl)thio]-5-nonanone 299.1323564 8.194433333 92109 Organosulfur compounds Thioethers Aryl thioethers Unclassified Unclassified 38.7 0.0 M+FA-H C14H22O2S 0.403502676 Isoamyl 2-furonpropionate 419.2443075 8.39665 LMFA07010913 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.7 0.0 2M-H C12H18O3 0.940156897 3-hydroxyarachidonoylcarnitine 508.3281845 8.429966667 LMFA07070036 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 38.7 0.0 M+FA-H C27H45NO5 0.44907288 2-lauroleic acid 243.1600599 9.431683333 LMFA01030037 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.7 0.0 M+FA-H C12H22O2 -0.620435743 Valproic Acid 287.2230439 9.987183333 45434 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C07185 38.7 0.0 2M-H C8H16O2 0.90489929 5-Sulfo-1,3-benzenedicarboxylic acid 226.9655627 0.6128 HMDB0032822 Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Unclassified Unclassified 38.6 0.0 M-H2O-H C8H6O7S -0.080034515 gamma-Aminobutyric acid 205.1196897 0.626733333 HMDB0000112 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00334 38.6 0.0 2M-H C4H9NO2 1.499535679 N6-beta-Aspartyllysine 260.1252412 0.654816667 HMDB0004985 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 M-H C10H19N3O5 0.179599396 2-(Acetamidomethylene)succinate 232.0465926 0.668933333 63871 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C7H9NO5 1.696580348 O-Succinyl-L-homoserine 264.0725805 0.710833333 362 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C8H13NO6 0.413063166 Formylisoglutamine 347.1206214 0.724833333 63495 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C6H10N2O4 -0.61986005 D-Xylose 299.0988404 0.73875 HMDB0000098 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00181 38.6 0.0 2M-H C5H10O5 1.566260539 Tetrodotoxin 318.0942703 0.73875 69159 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H C11H17N3O8 -0.0558639 N-Acetylcarbocysteine 266.0342267 0.781 1530 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C7H11NO5S 1.042208715 3,4-Dihydroxyphenylglycol O-sulfate 295.0131157 0.781 58050 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 38.6 0.0 M+FA-H C8H10O7S 0.756808415 Oxoadipic acid 319.0675153 0.781 HMDB0000225 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives 2 C00322 38.6 0.0 2M-H C6H8O5 1.390331793 2-Methyl-3-oxopropanoic acid 203.0554979 1.008516667 6053 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C00349 38.6 0.0 2M-H C4H6O3 -3.007711553 2-Keto-6-acetamidocaproate 232.0823704 1.008516667 62815 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives 2 C05548 38.6 0.0 M+FA-H C8H13NO4 -1.552221222 3,4,5-trihydroxy-6-[(2-methylpropanoyl)oxy]oxane-2-carboxylic acid 309.0833067 1.008516667 HMDB0126095 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.6 0.0 M-H, M+FA-H C10H16O8 -0.460174476 Coformycin 329.1103146 1.008516667 65630 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H2O-H, M+FA-H C11H16N4O5 -3.586769892 N-Nitrosoguvacoline 339.1301026 1.008516667 73176 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C7H10N2O3 -2.661829373 Ethyl 4-(acetylthio)butyrate 189.0590075 1.037216667 LMFA07010866 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.6 0.0 M-H C8H14O3S -0.428274777 Isocarbamid 230.1143405 1.070166667 72796 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C8H15N3O2 -1.561800373 Hymexazol 197.0560797 1.237583333 68844 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C4H5NO2 -3.537798451 D-Pantothenoyl-L-cysteine 321.1125337 1.648083333 HMDB0006834 Organic acids and derivatives Peptidomimetics Hybrid peptides 2 C04079 38.6 0.0891 M-H C12H22N2O6S -0.146806831 2-Oxopimelate 347.0987339 1.648083333 71246 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C7H10O5 1.044315497 Aspartyl-L-proline 459.1737127 1.73295 HMDB0002335 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 2M-H C9H14N2O5 0.969225251 Clavamycin F 417.1631652 1.902366667 71660 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C15H24N4O7 1.244747529 PGI2 397.2234737 10.46166667 LMFA03010087 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C01312 38.6 1.26 M+FA-H C20H32O5 0.842284883 5-Hydroxy-p-mentha-6,8-dien-2-one 331.191803 10.74548333 HMDB0037011 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.6 0.0 2M-H C10H14O2 0.963433034 2-Oxo-4-phosphonobutanoate 362.9891357 10.77821667 63606 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C4H7O6P 0.997229162 Valerenic acid 233.1544572 11.68135 53458 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C09743 38.6 0.0 M-H C15H22O2 -1.051825102 Heptopargil 250.1447873 12.25998333 72875 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C13H19NO -0.388912469 Sodium citrate 292.9866315 14.35233333 69553 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H C6H9Na3O9 -0.193279824 S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate 315.0725562 2.3612 HMDB0037786 Organoheterocyclic compounds Dihydrofurans Unclassified Unclassified Unclassified 38.6 0.0 2M-H C7H10O2S -1.482041283 N4-Acetylaminobutanal 257.150685 2.42905 58230 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C05936 38.6 0.0 2M-H C6H11NO2 0.016558925 Bluensidine 6-phosphate 389.07292 2.853666667 71783 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C8H17N4O9P 4.075649737 Vanillylamine 198.0764368 2.939133333 62928 Benzenoids Phenols Methoxyphenols 2 C16666 38.6 0.0 M+FA-H C8H11NO2 -4.864593249 Salicyl phenolic glucuronide 359.0622967 3.725316667 619 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.6 0.0 M+FA-H C13H14O9 0.992835999 S1P Lyase Fluorogenic Substrate 404.0757317 4.462783333 64808 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C14H18NO8P 1.463928066 Tetrahydroharmol 247.1087905 4.497216667 86539 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C12H14N2O -0.125886398 Mytilin B 345.130493 4.652083333 HMDB0033442 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 Unclassified 38.6 0.0 M-H C14H22N2O8 0.444328274 N,N-Dihydroxy-L-tryptophan 471.1514251 4.652083333 73315 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C11H12N2O4 -1.508363272 3-oxo-dodecanoic acid 259.1552766 4.772233333 LMFA01060091 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Unclassified C02367 38.6 0.0 M+FA-H C12H22O3 0.836706564 3-Fluoro-1-(4-hydroxyphenyl)-1-propanone 213.0565942 4.823433333 70568 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C9H9FO2 -1.585388116 Kelampayoside A 459.1530208 4.8402 HMDB0038714 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.6 16.9 M-H2O-H C20H30O13 4.644508193 Valproylglycine 246.1346393 4.904883333 HMDB0013116 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 M+FA-H C10H19NO3 -0.283726335 Spectinomycin 331.1511698 4.955766667 HMDB0015055 Organoheterocyclic compounds Dioxanes 1,4-dioxanes Unclassified C02078 38.6 0.0 M-H C14H24N2O7 0.286287692 p-Octopamine 305.1512995 4.9897 HMDB0004825 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids 2 C04227 38.6 0.0 2M-H C8H11NO2 2.021072357 Binapacryl 321.10917 5.023283333 72773 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H C15H18N2O6 -0.123869652 4-Hydroxyphenylglyoxylate 211.0244664 5.05715 63853 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C8H6O4 -2.078678241 (R)-2-Hydroxybutane-1,2,4-tricarboxylate 411.0773903 5.07435 63241 Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives 2 C01251 38.6 0.0 2M-H C7H10O7 -1.549758978 Dihydroeuparin 435.1808773 5.1603 67164 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C13H14O3 -0.997010073 1,6-Dimethoxypyrene 243.081233 5.211683333 72104 Benzenoids Pyrenes Unclassified Unclassified C18260 38.6 0.0 M-H2O-H C18H14O2 -1.165681996 Pyruvic acid 175.0239791 5.228883333 HMDB0000243 Organic acids and derivatives Keto acids and derivatives Alpha-keto acids and derivatives 3 C00022 38.6 0.0 2M-H C3H4O3 -4.728815748 6-Hydroxypseudooxynicotine 239.1035442 5.228883333 HMDB0240264 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C01297 38.6 0.0 M+FA-H C10H14N2O2 -0.960228136 Methylsuccinic acid 263.0779186 5.246216667 HMDB0001844 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 Unclassified 38.6 0.0 2M-H C5H8O4 2.56560335 Mebeverine metabolite (Veratric acid glucuronide) 357.0833076 5.2635 1082 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H C15H18O10 1.639963644 Enkephalin L 554.2630305 5.315033333 58019 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.6 0.0 M-H C28H37N5O7 1.816020737 O-Desmethyloxotolrestat 653.1371041 5.512683333 2883 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C15H12F3NO4 1.063246401 4-Phthalimidoglutaramic acid 275.0675812 5.52985 2814 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H C13H12N2O5 0.855198818 Piperidione 214.1080197 5.6454 71886 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C9H15NO2 -2.731561413 METAMECONINE 387.1093696 5.6454 44602 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C10H10O4 2.134374137 4-METHYLDAPHNETIN 237.0402759 5.661866667 43740 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C10H8O4 -0.967050293 Ephedroxane 236.0925688 5.696233333 71935 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C11H13NO2 -1.374880453 Dihydroxycarbazepine 315.0986213 5.696233333 1494 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C15H14N2O3 -0.088283616 3,5-Dinitrosalicylic acid 226.9944575 5.729433333 68986 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H C7H4N2O7 -0.51125429 Cosmosiin 477.1041974 5.763166667 HMDB0037340 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides 3 C04608 38.6 0.0 M+FA-H C21H20O10 0.804762202 Adenylsuccinic acid 508.0736462 5.763166667 HMDB0000536 Benzenoids Benzene and substituted derivatives Biphenyls and derivatives 2 C03794 38.6 0.559 M+FA-H C14H18N5O11P 3.023792681 2-Oxo-8-methylthiooctanoic acid 249.0803323 5.79705 64503 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C9H16O3S 0.558849686 N-Methylethanolaminium phosphate 309.0619969 5.79705 HMDB0060173 Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters 2 C01210 38.6 0.0 2M-H C3H10NO4P -0.695199794 cis- and trans-L-Mercapto-p-menthan-3-one 371.2078754 5.830633333 88259 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.6 0.0 2M-H C10H18OS -1.398525248 S-Methyl hexanethioate 291.1452746 5.847766667 94037 Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters 1 Unclassified 38.6 0.0 2M-H C7H14OS -1.783717337 5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one 248.0927276 5.864966667 94211 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Unclassified Unclassified 38.6 0.0 M+FA-H C12H13NO2 -0.511779562 Dihydroxycarteolol M1 323.1614042 5.864966667 1555 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H2O-H, M-H C16H24N2O5 1.057591935 Atraton 421.2812895 5.899483333 72840 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C9H17N5O 4.607177487 Penicillin X 395.0919713 5.933116667 71668 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C16H18N2O5S 0.359210817 R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl 403.2342298 5.933116667 87727 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.6 0.0 2M-H C10H18O4 1.207547615 Cinnzeylanine 471.2245027 5.95035 91190 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 38.6 0.0 M+FA-H C22H34O8 2.186208551 Kokusaginine 304.0829174 5.9849 68508 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M+FA-H C14H13NO4 0.990358967 Cuminyl alcohol 195.1019688 6.0703 HMDB0031817 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 2 C06576 38.6 0.0 M+FA-H C10H14O -4.657471858 PKHdiA-PC 694.3579124 6.150533333 LMGP20010009 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 38.6 0.0 M+FA-H C31H56NO11P 0.941361473 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid 455.2653179 6.167316667 87338 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 38.6 0.0 2M-H C12H20O4 0.605095354 Metoprolol 533.3600826 6.167316667 HMDB0001932 Benzenoids Phenols Tyrosols and derivatives Unclassified C07202 38.6 0.0 2M-H C15H25NO3 0.882801355 O-glutarylcarnitine 274.129939 6.309916667 LMFA07070091 Lipids and lipid-like molecules Fatty Acyls Fatty esters Unclassified Unclassified 38.6 0.0 M-H C12H21NO6 1.192259399 Ethylmethylacetic acid 203.1282431 6.361283333 HMDB0002176 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C18319 38.6 0.0 2M-H C5H10O2 -3.132982446 (E)-2,6-Dimethyl-2,5-heptadienoic acid 199.0968717 6.567 90472 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.6 0.0 M+FA-H C9H14O2 -4.613095264 Penicillin G 379.0970839 6.68735 HMDB0015186 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05551 38.6 0.496 M+FA-H C16H18N2O4S 0.457740527 PI(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 599.2629218 6.820883333 LMGP06050026 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 38.6 5.16 M-H2O-H C29H47O12P 0.403352535 N-linoleoyl taurine 432.2427826 6.986033333 LMFA08020138 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.6 2.82 M+FA-H C20H37NO4S 0.645710558 Dihydromikanolide 583.1827234 7.05285 67660 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C15H16O6 1.067007759 Methyl dihydrojasmonate 271.1553465 7.1907 HMDB0031740 Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives 1 Unclassified 38.6 0.0 M+FA-H C13H22O3 1.101158188 Tris(1-aziridinyl)phosphine oxide 345.1378711 7.446366667 73220 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C6H12N3OP 4.47864948 Zygadenine 492.2968859 7.548516667 68614 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H C27H43NO7 0.424876874 Westiellamide 527.2979764 7.63195 71070 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H2O-H C27H42N6O6 -1.401289717 Deoxynivalenol 277.1082396 7.6971 HMDB0036156 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C09747 38.6 0.0 M-H2O-H C15H20O6 0.311864825 2-(4-Methyl-5-thiazolyl)ethyl decanoate 342.1745222 7.745333333 HMDB0032419 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 38.6 0.0 M+FA-H C16H27NO2S 0.23308229 Panaxytriol 323.186547 8.027333333 LMFA05000027 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 C16792 38.6 0.0 M+FA-H C17H26O3 0.537088921 3-hydroxy-phenylglycol 307.1189932 8.126933333 733 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 2M-H C8H10O3 0.912690158 Methohexital 523.2553767 9.397783333 HMDB0014617 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07844 38.6 0.0 2M-H C14H18N2O3 -1.586552689 Furanofukinin 293.1760145 9.750116667 91687 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.6 0.0 M+FA-H C16H24O2 0.731952663 5-Hydroxyriluzole glucuronide 407.0164154 9.808916667 2325 Unclassified Unclassified Unclassified Unclassified Unclassified 38.6 0.0 M-H2O-H C14H13F3N2O8S -0.503580664 ROSOLIC ACID 335.0920579 0.682916667 44052 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C19H14O3 -1.514413626 CITIOLONE 317.0641224 0.710833333 44336 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C6H9NO2S 1.885676347 Tuliposide B 339.0935967 0.752666667 67073 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C11H18O9 1.059656414 (S)-ACPA 427.1098378 0.810033333 69626 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C8H10N2O5 -1.935523124 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene 201.037682 0.942083333 90249 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 38.5 0.0 M-H2O-H C12H12O2S -1.260927415 D-Ribose 299.0997846 0.99305 HMDB0000283 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00121 38.5 0.0 2M-H C5H10O5 4.712240896 4-Amino-2-methylenebutanoic acid 229.1191151 1.008516667 HMDB0030409 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 2M-H C5H9NO2 -1.153755554 2-Amino-4,6-dinitrotoluene 242.0417569 1.086733333 71183 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C7H7N3O4 -0.516221747 3-Acrylamidopropyl trimethylammonium 215.1396181 1.237583333 34500 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C9H18N2O -2.926938271 S-(2-carboxypropyl)-Cysteamine 325.1252977 1.254816667 HMDB0002169 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 1.46 2M-H C6H13NO2S -2.530225684 3,4,5-trihydroxy-6-(3-hydroxybenzoyloxy)oxane-2-carboxylic acid 359.0623853 1.648083333 HMDB0124995 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.5 0.0 M+FA-H C13H14O9 1.274778338 2-Aminobenzimidazole 265.119501 1.76715 68671 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C7H7N3 -4.57307578 N-butanoyl-homoserine lactone 216.0871985 1.801016667 LMFA08030027 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.5 0.0 M+FA-H C8H13NO3 -3.200855223 8-Methyl-6-nonenoic acid 339.2542437 11.71463333 63520 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C18202 38.5 0.0 2M-H C10H18O2 0.4716371 N-Undecylbenzenesulfonic acid 311.1688273 13.92003333 HMDB0032549 Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Unclassified Unclassified 38.5 9.73 M-H C17H28O3S 0.602000729 Isoleucyl-Serine 217.1188398 2.020966667 HMDB0028916 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M-H C9H18N2O4 -2.479366729 L-(-)Sorbose 355.1625444 2.055016667 3317 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C7H14O5 4.418389297 (2E)-4-hydroxy-3-methylbut-2-enoic acid 231.0870503 2.293266667 HMDB0128943 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.5 0.0 2M-H C5H8O3 -1.557677223 6-(3-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 359.062351 2.5139 HMDB0124994 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.5 0.0 M+FA-H C13H14O9 1.165679447 Veranisatin B 401.1091117 2.5646 95142 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.5 0.0 M+FA-H C16H20O9 0.496078376 N-Vinyl-2-pyrrolidone 221.1290767 2.6829 73224 Organoheterocyclic compounds Pyrrolidines N-alkylpyrrolidines Unclassified Unclassified 38.5 0.0 2M-H C6H9NO -2.137037056 Pterolactam 229.1189812 2.785466667 HMDB0034208 Organoheterocyclic compounds Pyrrolidines Pyrrolidones Unclassified Unclassified 38.5 0.0 2M-H C5H9NO2 -1.735493685 1,3-Dimethyluracil 279.1086323 3.00735 HMDB0002144 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 38.5 0.0 2M-H C6H8N2O2 -4.449052198 6-Aminonicotinamide 273.1094082 3.143733333 44444 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C6H7N3O -4.155391289 1H-1,2,4-Triazole-1-propanoic acid, 4,5-dihydro-3-(1-hydroxyethyl)-5-oxo-4-(2-phenoxyethyl)- 366.1307855 3.55435 1477 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C15H19N3O5 0.348573481 DROPROPIZINE 235.1449055 3.879233333 44155 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M-H C13H20N2O2 -1.253425113 Propyl propane thiosulfonate 455.1900997 4.359316667 HMDB0032496 Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Unclassified Unclassified 38.5 0.0 2M-H C11H16O5 -4.758971209 Prolyl-Glutamate 485.1894774 4.497216667 85914 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 2M-H C10H15N2O5- 1.153219937 De-O-methylsimmondsin 406.1358214 4.514416667 95628 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.5 0.0 M+FA-H C15H23NO9 0.933679846 Deazaflavin 258.0520295 4.548783333 65655 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C11H7N3O2 0.000938728 Butyric acid 175.0967317 4.565966667 HMDB0000039 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C00246 38.5 0.0 2M-H C4H8O2 -4.831683621 5-Hydroxythalidomide 319.0575322 4.583133333 85291 Organoheterocyclic compounds Isoindoles and derivatives Isoindolines Unclassified Unclassified 38.5 0.0 M+FA-H C13H10N2O5 1.305885469 1-Hydroxy-2-acetamidofluorene 477.1806003 4.66925 70093 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C15H13NO2 -2.887046905 6-O-(3R,4-dihydroxy-2-methylene-butanoyl)-beta-D-glucopyranose 339.0945658 4.686483333 LMSL05000003 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 3.15 M+FA-H C11H18O9 4.354982889 Norepinephrine (noradrenaline) 337.1413221 4.754983333 63 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C8H11NO3 2.401477187 NIPECOTIC ACID 257.1508083 4.9385 44223 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C6H11NO2 0.494109864 IBMX 443.2162713 4.972966667 44441 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C10H14N4O2 0.441979583 Pefurazoate 344.1620149 5.07435 72286 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M-H C18H23N3O4 1.260674986 p-Hydroxytriamterene glucuronide 426.1160137 5.143133333 2911 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M-H2O-H C18H19N7O7 -1.664916435 DIMBOA-glucoside 418.099845 5.1775 64536 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C15H19NO10 2.000209313 PI(14:1(9Z)/0:0) 587.2484847 5.194383333 81196 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 38.5 0.0 M+FA-H C23H43O12P 1.970232511 4-Methoxycinnamic acid 223.0607747 5.228883333 HMDB0002040 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acids 3 Unclassified 38.5 0.0 M+FA-H C10H10O3 -2.371643014 AM2201 N-(4-fluoropentyl) isomer 340.1511695 5.228883333 96700 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M-H2O-H C24H22FNO 1.303247165 3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione 212.0559989 5.28065 90277 Organoheterocyclic compounds Isoindoles and derivatives Isoindolines 1 Unclassified 38.5 0.0 M+FA-H C8H9NO3 -2.676268693 Benzo[a]pyrene-7,8-diol 331.0969423 5.28065 HMDB0060438 Benzenoids Pyrenes Unclassified 2 C14852 38.5 0.0 M+FA-H C20H14O2 -2.237906692 (10S)-Juvenile hormone III diol phosphate 363.1595111 5.331016667 64606 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M-H C16H29O7P 4.661707531 Palmatine 351.1485237 5.363316667 64373 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M-H C21H22NO4+ 2.603916676 Harmine 257.0933368 5.3795 43924 Alkaloids and derivatives Harmala alkaloids Unclassified Unclassified C06538 38.5 0.0 M+FA-H C13H12N2O 0.805765406 Tyrosyl-Threonine 327.1200229 5.512683333 86007 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M+FA-H C13H18N2O5 0.880230752 Methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate 333.1470177 5.52985 69070 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C16H20N2O3 4.935983004 Furfuryl pentanoate 227.0922117 5.562866667 LMFA07010892 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.5 0.0 M+FA-H C10H14O3 -1.567553381 D-Ribitol 5-phosphate 277.0331757 5.579683333 63137 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C5H13O8P 0.727790746 Mitoxantrone 443.1925121 5.579683333 591 Benzenoids Anthracenes Anthraquinones Unclassified C11195 38.5 0.0 M-H, M+FA-H C22H28N4O6 -2.467602902 (3S)-6-Hydroxy-3-isopropenyl-heptanoate 231.1235241 5.6128 64059 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C10H18O3 -1.467775891 2-Phenylbutyrolactone 207.0664856 5.629433333 1824 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C10H10O2 1.25390021 2-hydroxy-decanedioic acid 435.2243901 5.6454 74931 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.5 0.0 2M-H C10H18O5 1.877778303 2-(2-Phenylacetoxy)propionylglycine 264.0878952 5.696233333 HMDB0059732 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 M-H2O-H, M-H C13H15NO5 -0.794693161 Beta-Cortol 413.254949 5.729433333 HMDB0005821 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01235 38.5 0.468 M+FA-H C21H36O5 1.281282943 4-Ethylethcathinone 250.144853 5.746233333 96612 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C13H19NO -0.068666631 Paraoxon 256.0382233 5.763166667 HMDB0013035 Benzenoids Benzene and substituted derivatives Nitrobenzenes Unclassified C06606 38.5 0.0 M-H2O-H C10H14NO6P 0.693022787 2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene (Compound A) 224.998747 5.79705 2424 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C4H2F6O -2.443623194 Isobutyric acid 175.0967181 5.847766667 106 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acids 2 C02632 38.5 0.0 2M-H C4H8O2 -4.90900796 EPIAFZELECHIN TRIMETHYL ETHER 315.122898 5.864966667 44484 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M-H C18H20O5 -2.844881404 2-Hydroxyundecanoate 247.1550365 5.9849 HMDB0059736 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.5 0.0 M+FA-H C11H22O3 -0.30140089 1,2-dihydrostilbene 227.1074668 6.002183333 53270 Lipids and lipid-like molecules Polyketides Aromatic polyketides Unclassified C14685 38.5 0.0 M+FA-H C14H14 -1.573332465 Portulacaxanthin I 369.0945147 6.002183333 67068 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C14H16N2O7 1.730924792 Gibberellin A37 363.1815303 6.0703 LMPR0104170016 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 C14161 38.5 0.0 M-H, M+FA-H C20H28O6 0.598787919 Coumestrin 475.0886106 6.0703 HMDB0033587 Phenylpropanoids and polyketides Isoflavonoids Coumestans Unclassified Unclassified 38.5 0.0 M+FA-H C21H18O10 0.955537523 Gemifloxacin 370.1330955 6.118816667 HMDB0015286 Organoheterocyclic compounds Diazanaphthalenes Naphthyridines Unclassified Unclassified 38.5 0.0555 M-H2O-H C18H20FN5O4 2.580562342 Adipate semialdehyde 259.1187708 6.277033333 HMDB0012882 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C06102 38.5 0.0 2M-H C6H10O3 0.226453846 Perindoprilat lactam A 321.182113 6.293183333 1800 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M-H, M+FA-H C17H26N2O4 0.410148005 7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside 521.1306483 6.32685 LMPK12050066 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C23H24O11 1.226210026 2-Hydroxyiminostilbene 417.159248 6.344066667 HMDB0060652 Organoheterocyclic compounds Benzazepines Dibenzazepines 2 C16604 38.5 0.0 2M-H C14H11NO -3.834578097 Diethofencarb 312.1456829 6.361283333 68820 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C14H21NO4 1.579253336 Tanacetol B 341.1971096 6.395766667 HMDB0035075 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.5 0.0 M+FA-H C17H28O4 0.497621977 Triphenylphosphine oxide 555.1623394 6.584316667 64889 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C18H15OP -4.472802642 Lubiminol 299.1865093 6.886616667 HMDB0029604 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.5 0.0 M+FA-H C15H26O3 0.439527513 2,3,5-Trimethylfuran 219.1385501 6.9526 HMDB0029721 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 38.5 0.0 2M-H C7H10O -2.286439521 (S)-N-Methylcoclaurine 344.1506089 6.969433333 HMDB0060319 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines 2 C05176 38.5 0.229 M+FA-H C18H21NO3 0.877562503 Methyl 3-methylbutanoate 231.1598484 7.258066667 LMFA07010950 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.5 0.0 2M-H C6H12O2 -1.440603213 (5S)-6-Hydroxy-5-isopropenyl-2-methylhexanoate 371.2441916 7.497233333 64065 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C10H18O3 0.749866543 2-Hydroxy-6-ketononatrienedioate 423.0548056 7.615333333 63525 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C9H8O6 -4.937679467 Antirrhinoside 361.1152387 7.71325 67927 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M-H C15H22O10 3.364202026 Perflutren 232.9847067 7.99385 85401 Organohalogen compounds Organofluorides Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C3F8 -3.840435599 Arginyl-Cysteine 553.2337006 7.99385 HMDB0028706 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.5 0.0 2M-H C9H19N5O3S -1.342342678 4'-Methyl-alpha-pyrrolidinopropiophenone 262.1449598 8.8387 85055 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C14H19NO 0.427108104 Deoxyribose 5-phosphate 427.0410457 8.936933333 HMDB0001031 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00673 38.5 0.0 2M-H C5H11O7P -0.365530624 6-(carboxymethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 297.0472244 9.09625 HMDB0124938 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.5 0.0 M+FA-H C8H12O9 3.529163731 12(S)-hydroxy-16-Heptadecynoic Acid 327.2179239 9.3304 35515 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 M+FA-H C17H30O3 0.801525378 Ethyl isovalerate 259.1914735 9.583583333 69416 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C12290 38.5 0.0 2M-H C7H14O2 -0.036302024 2-Piperidinecarboxamide(PPX) 463.307203 9.700816667 1415 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C14H20N2O -1.393668443 Desmethyldoxepine 529.2842404 9.733716667 2475 Unclassified Unclassified Unclassified Unclassified Unclassified 38.5 0.0 2M-H C18H19NO -3.416287687 PG(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 851.5453496 9.808916667 LMGP04030089 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Unclassified Unclassified 38.5 0.0 M+FA-H C46H79O9P 1.210145573 1-eicosanoyl-glycero-3-phosphate 511.3029222 9.93705 HMDB0062315 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 38.5 0.0179 M+FA-H C23H47O7P -2.61870034 CYCLOPIAZONIC ACID 317.1287507 0.640766667 44072 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M-H2O-H C20H20N2O3 -2.382038423 Galactose 1-phosphate 241.0115286 0.668933333 HMDB0000645 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C00446 38.4 0.0 M-H2O-H C6H13O9P -1.341966376 Cystathionine sulfoxide 219.0447876 0.682916667 HMDB0002399 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 1.43 M-H2O-H C7H14N2O5S 1.202106034 1-Methyladenosine 280.103866 0.682916667 HMDB0003331 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified C02494 38.4 0.0 M-H, 2M-H C11H15N5O4 -4.487800318 1-Hydroxypentane-1,2,5-tricarboxylate 265.0565447 0.710833333 71254 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C8H12O7 0.177927462 3,4,5-trihydroxy-6-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}oxane-2-carboxylic acid 619.1733435 0.752666667 HMDB0127650 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.4 0.0 2M-H C11H18O10 1.009963808 2-O-a-L-Fucopyranosyl-galactose 325.1142084 0.766866667 HMDB0006590 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.4 0.0 M-H C12H22O10 0.57611052 3-(Hydrohydroxyphosphoryl)pyruvate 302.9685137 0.825966667 63597 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C3H5O5P 2.863325504 L-Homoserine 164.0567378 0.99305 HMDB0000719 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00263 38.4 0.0 M+FA-H C4H9NO3 2.451087878 Acetyl-DL-Valine 204.0871261 1.008516667 73550 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C7H13NO3 -3.897621689 (S)-3-Hydroxyisobutyrate 207.0868656 1.008516667 63439 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives 2 C06001 38.4 0.0 2M-H C4H8O3 -2.6246052 N-(1-Deoxy-1-fructosyl)proline 322.1146579 1.008516667 HMDB0038493 Organoheterocyclic compounds Benzodioxanes Phenylbenzodioxanes Unclassified Unclassified 38.4 0.0 M+FA-H C11H19NO7 1.093867098 Propetamphos 561.1636844 1.0224 72453 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C10H20NO4PS 1.475191873 2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid 252.0546069 1.070166667 87489 Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives Unclassified Unclassified 38.4 0.0 M+FA-H C7H13NO4S -0.603307436 Levofuraltadone 647.2050932 1.18665 72985 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C13H16N4O6 -2.466585913 N-(5-Amino-2-hydroxybenzoyl)glycine 255.0622611 1.22085 HMDB0061683 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 38.4 0.0 M+FA-H C9H10N2O4 0.006658156 Sulfisoxazole 312.065991 1.22085 43339 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified C07318 38.4 0.0 M+FA-H C11H13N3O3S 0.096738543 NONIC ACID 233.1027641 1.57935 44183 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.4 0.0 M+FA-H C9H16O4 -1.582697571 Cardiospermin 320.0989508 1.75015 66907 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C11H17NO7 0.894355024 (+)-Bornyl-diphosphate 313.0625415 10.33026667 41082 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C03190 38.4 0.0 M-H C10H20O7P2 4.431074201 Tetramethylpyrazine 271.1918151 10.645 91653 Organoheterocyclic compounds Diazines Pyrazines 1 Unclassified 38.4 0.0 2M-H C8H12N2 -3.693150966 2-Phosphinomethylmalate 420.9929152 10.76183333 63598 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C5H8O7P -3.167829641 (3R,5Z)-5-Octene-1,3-diol 287.2230509 10.77821667 HMDB0030368 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.4 0.0 2M-H C8H16O2 0.929333565 Endothal-disodium 459.027231 11.0114 72500 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C8H8Na2O5 2.355407384 Thiamin triphosphate 549.0177387 11.1054 3586 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives 2 C03028 38.4 0.0 M-H, M+FA-H C12H19N4O10P3S -0.471876997 Diethyl decanedioate 515.3592219 11.16521667 94936 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.4 0.0 2M-H C14H26O4 0.541671478 PE(0:0/16:0) 452.27895 11.46453333 LMGP02050036 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 38.4 0.0 M-H C21H44NO7P 1.515600476 (3S,5S)-Carbapenam-3-carboxylic acid 309.1093005 2.17435 71641 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H, 2M-H C7H9NO3 -4.68131881 Prolyl-Aspartate 211.0718472 2.208366667 HMDB0029013 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M-H2O-H C9H14N2O5 -2.534737641 Methylphenobarbital 291.0988494 2.32725 HMDB0014987 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07829 38.4 0.0 M+FA-H C13H14N2O3 0.829803482 Cyclo-Ala-Pro diketopiperazine 213.0875161 2.463016667 86079 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C8H12N2O2 -3.357470781 norzolmitripan 304.1304406 3.0243 HMDB0060966 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Unclassified Unclassified 38.4 0.0 M+FA-H C14H17N3O2 0.621020179 (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate 189.076076 3.075316667 63260 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M-H C8H14O5 -4.056601603 (2Z)-2-(hydroxymethyl)but-2-enoic acid 231.0870431 3.092433333 HMDB0129096 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.4 0.0 2M-H C5H8O3 -1.588516391 Propenyl-L-NIO 258.1459045 3.537283333 45344 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C10H19N3O2 -0.118171641 Pralidoxime 273.134613 3.742416667 HMDB0014871 Organoheterocyclic compounds Pyridines and derivatives Methylpyridines Unclassified C07400 38.4 0.0 2M-H C7H9N2O+ -3.963044675 Methotrimeprazine 655.313997 4.462783333 1189 Organoheterocyclic compounds Benzothiazines Phenothiazines Unclassified C07192 38.4 0.0 2M-H C19H24N2OS -0.907094929 Levosimendan 279.0989534 4.497216667 HMDB0015058 Benzenoids Benzene and substituted derivatives Phenylhydrazines Unclassified Unclassified 38.4 0.848 M-H, 2M-H, M-H2O-H C14H12N6O -3.674364531 2,8-Dihydroxyquinoline-beta-D-glucuronide 382.0784901 4.531583333 HMDB0011658 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.4 0.0 M+FA-H C15H15NO8 1.544992042 Brunsvigine 332.1145884 4.548783333 67039 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C16H17NO4 2.185453289 5'-S-Methyl-5'-thioinosine 297.0665472 4.61755 73361 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M-H C11H14N4O4S 0.831042999 3-Methylthiopropionic acid 239.0415974 4.634816667 HMDB0001527 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C08276 38.4 0.0 2M-H C4H8O2S -0.529887796 (x)-1,2-Propanediol 1-O-b-D-glucopyranoside 475.2054306 4.7208 HMDB0033065 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.4 0.0 2M-H C9H18O7 4.622361668 4-Toluenesulfonamide 216.0332038 4.754983333 70041 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C7H9NO2S -2.330457293 Isoxanthopterin 357.0830681 4.754983333 HMDB0000704 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Unclassified C03975 38.4 0.0 2M-H C6H5N5O2 4.735304891 N-(4-aminobutyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enimidic acid 293.1511256 4.772233333 HMDB0139646 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.4 0.0 M-H C15H22N2O4 1.512398539 Resorcinolnaphthalein 427.0819749 4.789466667 64793 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C24H14O5 -0.920088221 3-Mercapto-3-methyl-1-butyl acetate 323.1350248 4.888816667 HMDB0039227 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 38.4 1.66 2M-H C7H14O2S -1.851574521 Malonic semialdehyde 175.0239834 4.9385 61978 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C00222 38.4 0.0 2M-H C3H4O3 -4.70444094 (3-phenylpropoxy)sulfonic acid 431.083808 4.955766667 HMDB0135313 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 38.4 0.0 2M-H C9H12O4S -0.405585085 3-Deaza-2'-deoxyadenosine 499.2051694 4.955766667 96553 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C11H14N4O3 -1.468954708 D-Biotin 289.0866101 4.972966667 243 Organoheterocyclic compounds Biotin and derivatives Unclassified 2 C00120 38.4 0.0 M+FA-H C10H16N2O3S 0.998903761 3-hydroxyundecanoic acid 247.155064 5.023283333 HMDB0061654 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 38.4 0.0 M+FA-H C11H22O3 -0.165385858 alpha-Carboxy-delta-nonalactone 245.1030126 5.07435 87334 Organoheterocyclic compounds Lactones Delta valerolactones 1 Unclassified 38.4 0.0 M+FA-H C10H16O4 -0.246358151 N-Carboxytocainide glucuronide 457.1470562 5.143133333 2866 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C18H24N2O9 1.632805372 3-Methylazelaic acid 247.1187438 5.211683333 HMDB0059754 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.4 0.0 M+FA-H C10H18O4 0.15776903 7-Prenyloxy-8-methoxy-3',4'-methylenedioxyisoflavone 361.1072156 5.246216667 LMPK12050138 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M-H2O-H C22H20O6 -2.450943563 CGP 57380 487.1650164 5.2635 45535 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C11H9FN6 -4.613597503 6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] 563.2352186 5.2635 86480 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.4 0.0 M-H, M+FA-H C24H38O12 1.213480627 Alpha-Aspartyl-lysine 306.1309509 5.331016667 58283 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.4 0.0 M+FA-H C10H19N3O5 1.061989129 (-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone 381.0765949 5.3795 50066 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M-H2O-H C24H16O6 -0.630470831 7-Methyl-3-methylene-1,6,7-octanetriol 233.1392265 5.395966667 LMFA05000635 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.4 0.0 M+FA-H C10H20O3 -1.174117552 Fusaric acid 224.0925379 5.512683333 68152 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C10H13NO2 -1.639728235 N-(3-Hydroxypropyl)phthalimide 250.0720984 5.596366667 85158 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C11H11NO3 0.01142613 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate 455.120302 5.596366667 66438 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C10H12O6 1.758734887 6,7-Dimethyltetrahydropterin 389.2186842 5.679016667 6665 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C8H13N5O 4.972842869 Oil Orange SS 523.2163841 5.679016667 73005 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C17H14N2O 4.643710764 Artemisinin 327.1454117 5.696233333 532 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C15H22O5 1.719145995 (5R)-5-Hydroxyhexanoic acid 263.1502244 5.712733333 5398 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.4 0.0 2M-H C6H12O3 0.803851141 Abyssinone II 305.1177103 5.882233333 LMPK12140037 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.4 1.65 M-H2O-H C20H20O4 -1.874765418 3-(4-hydroxyphenyl)-N-(4-oxobutyl)prop-2-enimidic acid 278.1035566 5.9164 HMDB0139876 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.4 0.0 M+FA-H C13H15NO3 0.687982427 Boc-Asn-OPhNO2 334.1048281 5.933116667 65720 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M-H2O-H C15H19N3O7 1.045591033 Albine 277.15592 6.036733333 68546 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C14H20N2O 0.662721013 Acrinol 685.3011693 6.0533 69469 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C18H21N3O4 2.962751378 b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl 497.2397684 6.0703 1440 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C24H36O8 1.21043589 2-hydroxy hendecanoic acid 247.1549417 6.18385 LMFA01050034 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.4 0.0 M+FA-H C11H22O3 -0.770543148 5-Isopropyl-2-methylphenol acetate 237.1129917 6.361283333 HMDB0035447 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.4 0.0 M+FA-H C12H16O2 -1.254164579 D-Phosphatidylglycerol 715.4047458 6.395766667 4194 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C32H63O12P 1.23637388 Cadiamine 563.3818786 6.413016667 68553 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C15H26N2O3 0.83203443 (S)-Pinocembrin 301.0719191 6.584316667 HMDB0030808 Phenylpropanoids and polyketides Flavonoids Flavans 3 C09827 38.4 0.0 M+FA-H C15H12O4 0.614604516 N-octanoyl-homoserine lactone 453.2976666 6.584316667 LMFA08030035 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.4 0.0 2M-H C12H21NO3 1.44388931 4-(3-Methylbut-2-enyl)-L-tryptophan 317.15084 6.601566667 66155 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C16H20N2O2 0.585206572 7-hydroxy Tetranor Iloprost 643.335809 6.68735 781 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M-H, 2M-H C18H26O5 2.681291271 Phosphodimethylethanolamine 214.0480521 7.03615 63348 Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters 2 C13482 38.4 0.0 M+FA-H C4H12NO4P -3.22526738 (1R,2R,4R,8R)-p-Menthane-2,8,9-triol 375.27548 7.343833333 89383 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.4 0.0 2M-H C10H20O3 0.710751048 Methylhildgardtol A 703.3277299 7.89455 LMPK12020159 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.4 0.0 2M-H C22H24O4 0.124752914 Guanidinoethyl methyl phosphate 242.0550099 8.044016667 66107 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C4H12N3O4P 1.342500889 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol acetate 703.3279265 8.194433333 70549 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 2M-H C22H24O4 0.403842531 (2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate 459.2523119 8.363166667 LMFA07010699 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.4 0.0 2M-H C15H18O2 -3.848547377 Piperonyl sulfoxide 369.1742383 8.39665 72888 Unclassified Unclassified Unclassified Unclassified Unclassified 38.4 0.0 M+FA-H C18H28O3S 0.369287365 Ribose 1,5-bisphosphate 354.9838122 8.514016667 62426 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01151 38.4 0.0 M+FA-H C5H12O11P2 0.402965651 1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol 395.2077598 8.674033333 HMDB0094658 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 38.4 0.0 2M-H C11H18OS -1.605584831 eurysterol B sulfonic acid 511.2738136 9.063183333 LMST05020035 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified Unclassified 38.4 0.0 M-H C27H44O7S 0.615488591 Methyl octynecarboxylate 335.2231521 9.838133333 HMDB0031273 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.4 0.0 2M-H C10H16O2 1.097407148 5-Iodouracil 474.841833 0.640766667 776 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C4H3IN2O2 2.645326356 DAz-2 240.0987741 0.654816667 64820 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C9H13N3O2 -1.053090498 Cellopentaose 873.2737527 0.654816667 63207 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 Unclassified 38.3 0.0 M-H, M+FA-H C30H52O26 1.17308791 Asparaginyl-Aspartate 246.0729099 0.668933333 85642 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 M-H2O-H, M-H C8H13N3O6 -1.535502048 S-Nitroso-L-glutathione 317.0553243 0.668933333 58248 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H2O-H C10H16N4O7S -2.393649397 N-Acetyl-D-fucosamine 250.0931593 0.682916667 70938 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C8H15NO5 -0.322463983 2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone 237.0612639 0.710833333 65578 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C7H12O6 -1.702887611 Dambonitol 253.0929642 0.73875 HMDB0033942 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 38.3 0.0 M+FA-H C8H16O6 0.351205419 Carbimazole 375.1158709 0.73875 1519 Organoheterocyclic compounds Azoles Imidazoles Unclassified C07615 38.3 0.0 2M-H C7H12N2O2S -1.993760305 N-Acetylsulfadiazine 583.1194751 0.73875 2436 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C12H12N4O3S 1.247966158 t-4-AMINOCROTONIC ACID (TACA) 201.087454 0.781 44303 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C4H7NO2 -3.100195023 2-Formylglutarate 205.0347304 0.781 63877 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C6H8O5 -4.035549834 Linatine 240.0988252 0.781 HMDB0038516 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05939 38.3 0.0 M-H2O-H C10H17N3O5 -0.595617279 Ribulose 1,5-diphosphate 290.9674871 0.825966667 377 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H2O-H C5H12O11P2 -0.504068878 Hydroxypropyl cellulose 529.1415205 0.99305 88374 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.3 0.0 2M-H C16H11NO3 1.906060752 Methitural 333.0941833 1.008516667 66681 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H, 2M-H C12H20N2O2S2 -2.219662897 N-(1-Deoxy-1-fructosyl)histidine 362.1207928 1.008516667 HMDB0037839 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Unclassified Unclassified 38.3 0.0 M+FA-H C12H19N3O7 0.914432495 N-Benzylphthalimide 473.1516456 1.008516667 69922 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C15H11NO2 2.034913374 Oxypinnatanine 259.0935425 1.05315 86246 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 M-H C10H16N2O6 -0.066602939 Acetyl-maltose 429.1260646 1.070166667 65717 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C14H24O12 2.825965931 Clavamycin E 573.2168487 1.136383333 71639 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C11H17N3O6 1.13987287 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one 296.0811598 1.169433333 HMDB0061025 Organoheterocyclic compounds Benzimidazoles Unclassified Unclassified Unclassified 38.3 7.49 M+FA-H C12H14ClN3O 1.661511233 cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate 169.086096 1.203633333 HMDB0032200 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.3 0.0 M-H2O-H C9H16O4 -4.90107781 Pyridoxamine-5'-Phosphate 293.0548454 1.476633333 236 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C8H13N2O5P 1.751181246 N-Acetylcystathionine 263.070852 1.596533333 6656 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 M-H2O-H, M-H C9H16N2O5S -0.044023111 3-(3,4-dihydroxyphenyl)-2-oxopropanoic acid 241.0351418 1.648083333 HMDB0125373 Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives 2 C04045 38.3 0.0 M+FA-H C9H8O5 -1.195615854 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylpropanamide 352.115294 1.699116667 HMDB0142220 Benzenoids Phenols Nitrophenols Unclassified Unclassified 38.3 0.0 M+FA-H C14H17N3O5 0.880587193 Glutamyl-Glutamine 547.201264 1.75015 85731 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 2M-H C10H16N3O6- 1.313214104 4-ethylphenylsulfate 247.0281196 1.818166667 HMDB0062551 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 38.3 0.0 M+FA-H C8H10O4S -0.312242461 Borreline 531.2789091 1.851983333 67386 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C17H18N2O 4.43213001 flunixin 277.0597725 1.918916667 4044 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H2O-H C14H11F3N2O2 1.186764415 Methyl 3-mercaptobutanoate 267.07362 1.9526 LMFA07010949 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.3 0.0 2M-H C5H10O2S 2.220759627 5-Nitro-2-propoxyaniline 391.1622525 10.06648333 HMDB0037688 Benzenoids Benzene and substituted derivatives Nitrobenzenes Unclassified Unclassified 38.3 0.0 2M-H C9H12N2O3 -0.141616287 2-Ethylhexanoic acid 287.2231014 10.46166667 HMDB0031230 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.3 0.0 2M-H C8H16O2 1.104475166 Ercalcitriol 473.3276298 10.47818333 HMDB0006225 Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives 1 Unclassified 38.3 0.0 M+FA-H C28H44O3 0.891075568 CAY10563 497.0059698 11.0755 45276 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C9H6F3NO2S -2.052112548 (E,E)-2,4-Octadienal 247.170241 11.73116667 HMDB0031686 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 38.3 0.0 2M-H C8H12O -0.453795811 D-Ribulose 1,5-bisphosphate 354.9838733 15.9098 63255 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C5H12O11P2 0.59995228 Glyphosine 261.9882548 2.038133333 72874 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H C4H11NO8P2 -1.742932857 HDMBOA-Glc 368.0988909 2.072166667 92218 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.3 0.0 M-H2O-H C16H21NO10 0.480979605 2-Amino-3,4-dihydroxypentanedioic acid 357.0798355 2.3612 86952 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 Unclassified 38.3 0.0 2M-H C5H9NO6 3.177716636 6-Acetamido-3-oxohexanoate 232.0823157 2.956283333 66023 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C8H13NO4 -1.844705091 Creatine riboside 308.1096696 3.297633333 HMDB0240254 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.3 0.0 M+FA-H C9H17N3O6 -1.020535784 Propenoylcarnitine 214.1079521 3.34905 LMFA07070104 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.3 0.0 M-H C10H17NO4 -2.461652365 2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate 373.0778273 3.417516667 63985 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C14H16O9 0.586359532 Mevinphos 223.0372912 3.742416667 72467 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H C7H13O6P -1.817266125 Glycyl-Tryptophan 260.104111 4.411066667 HMDB0028852 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 M-H C13H15N3O3 0.176586845 JWH 200 365.1676737 4.411066667 45478 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H2O-H C25H24N2O2 4.52068594 DHBOA-Glc 388.0893174 4.428283333 HMDB0037261 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.3 0.0 M+FA-H C14H17NO9 2.283276755 6-[3-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 327.0726041 4.462783333 HMDB0125161 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.3 0.0 M-H C14H16O9 1.366729113 2-(4-Methyl-5-thiazolyl)ethyl formate 341.0628486 4.48 88444 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 38.3 0.0 2M-H C7H9NO2S -1.970312813 3-methyl-2-Quinoxalinone 205.0612746 4.497216667 64787 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C9H8N2O -3.693040612 Lucuminoside 472.1464478 4.497216667 HMDB0029900 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C08335 38.3 0.0 M+FA-H C19H25NO10 0.934040966 Mono-trans-p-coumaroylmesotartaric acid 355.0675873 4.514416667 HMDB0029783 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.3 0.0 M+FA-H C14H14O8 1.667506449 Cotinineglucuronide 351.1203823 4.61755 5943 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H C16H20N2O7 1.725838469 1-(Malonylamino)cyclopropanecarboxylic acid 373.0891694 4.634816667 HMDB0031700 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 0.0 2M-H C7H9NO5 0.804793432 Pentahomomethionine 437.2523628 4.66925 64511 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C10H21NO2S 2.371568192 (E)-C-HDMAPP 259.0137604 4.686483333 64798 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H C6H14O7P2 -1.689076434 5-S-Cysteinyldopamine 317.0813169 4.7379 41 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C11H16N2O4S 0.132599636 Ethyl 3-mercaptobutyrate 193.0533662 4.789466667 88317 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.3 0.0 M+FA-H C6H12O2S -4.30468936 2,6-Dimethoxy-4-methylphenol 213.0763905 4.789466667 HMDB0029680 Benzenoids Phenols Methoxyphenols 1 Unclassified 38.3 0.0 M+FA-H C9H12O3 -2.716409692 D-glycero-L-galacto-Octulose 479.1598579 4.823433333 HMDB0029954 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.3 0.0 2M-H C8H16O8 -3.958284709 Perazine 677.3485223 4.9385 71418 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C20H25N3S 2.890991688 PHDdiA-PI 797.4056229 5.023283333 LMGP20050003 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 38.3 13.3 M-H C37H67O16P -4.72604154 6-Galloylglucose 313.057047 5.05715 89680 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 38.3 0.0 M-H2O-H C13H16O10 1.630406107 Methyl helianthenoate F glucoside 399.1302098 5.1088 HMDB0040797 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.3 0.0 M+FA-H C17H22O8 1.522776062 2,3-dihydro-1,4-benzodioxin-2-ylmethyl dimethylcarbamate 282.0982695 5.1603 96365 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C12H15NO4 -0.174385819 TCEP 231.0427285 5.1775 85167 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H2O-H C9H15O6P -0.220931743 5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone 449.1095628 5.1775 49052 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C20H20O9 1.553341187 AICAR 383.0625381 5.194383333 HMDB0001517 Nucleosides, nucleotides, and analogues Imidazole ribonucleosides and ribonucleotides 1-ribosyl-imidazolecarboxamides 2 C04677 38.3 0.0 M+FA-H C9H15N4O8P 4.688965948 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole 285.1459235 5.28065 92144 Organoheterocyclic compounds Azolines Thiazolines Unclassified Unclassified 38.3 0.0 2M-H C7H13NS -1.890432386 Dihydrofolic acid 424.1367903 5.297816667 HMDB0001056 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00415 38.3 0.0 M-H2O-H C19H21N7O6 -1.579564521 3-Hydroxybutan-2-one 175.0967085 5.331016667 LMFA12000020 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 C00466 38.3 0.0 2M-H C4H8O2 -4.963456423 Fenothiocarb sulfoxide 314.1071388 5.3795 68827 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C13H19NO3S 1.380190135 trans-3-Octenedioic acid 343.1404969 5.3795 HMDB0013312 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.3 0.0 2M-H C8H12O4 1.905102061 3-Methoxytyramine 212.0923691 5.495933333 HMDB0000022 Benzenoids Phenols Methoxyphenols 2 C05587 38.3 0.0 M+FA-H C9H13NO2 -2.767494313 Acacetin 7-glucuronosyl-(1->2)-glucuronide 681.1321284 5.546283333 48882 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.3 0.0 M+FA-H C28H28O17 2.005967598 diethyl 2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate 535.1829518 5.596366667 96355 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 2.98 M-H, M+FA-H, 2M-H C13H16O6 -3.465036284 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, monomethyl ester 377.0995534 5.596366667 1509 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C16H16N2O6 1.54858306 Trimethylolpropane triacrylate 341.1247671 5.6128 70137 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C15H20O6 1.944811126 1-dimethylarsinoyl-heptadecane 405.2360318 5.629433333 LMFA11000716 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 38.3 0.0 M+FA-H C19H41AsO 1.364267871 Psilocybin 265.0754217 5.679016667 66689 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H2O-H C12H17N2O4P 2.355522976 4-(Hydroxylamino)-N,N-dimethylaniline 303.1814626 5.712733333 73291 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C8H12N2O -3.90206837 Hydroxyanthraquinone 269.0452039 5.763166667 65876 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C14H8O3 -1.531410112 Fospropofol 287.1045068 5.847766667 HMDB0015661 Benzenoids Benzene and substituted derivatives Cumenes Unclassified Unclassified 38.3 0.0 M-H C13H21O5P -3.044456233 Ximelagatran 472.2556069 5.899483333 HMDB0015603 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.3 2.28 M-H C24H35N5O5 -1.977585455 Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside] 593.188513 5.9164 70969 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C27H32O12 1.703122581 D-Prephenyllactate 595.1314738 5.967566667 65548 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C13H14O8 1.703369385 3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one 325.0719597 5.9849 88080 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.3 0.0 M+FA-H C17H12O4 0.706751981 3D-(3,5/4)-Trihydroxycyclohexane-1,2-dione 319.0680906 6.002183333 63287 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C6H8O5 3.187722301 N4-Phosphoagmatine 209.0814144 6.036733333 65821 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H C5H15N4O3P 2.445856068 N-(3-oxo-hexanoyl)-homoserine lactone 258.0983968 6.134933333 36733 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified C11839 38.3 0.0 M+FA-H C10H15NO4 0.403424643 Fenuron 327.1815526 6.277033333 68925 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C9H12N2O -3.34263498 Sodium salicylate 159.0064203 6.293183333 66691 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Unclassified Unclassified 38.3 0.0 M-H C7H5NaO3 0.365435618 1-(9Z-tetradecenoyl)-glycero-3-phosphate 379.189572 6.32685 HMDB0062311 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 38.3 0.0 M-H C17H33O7P 1.205713328 p-Nitrophenyl-O-ethyl ethylphosphonate 240.0431373 6.361283333 69527 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M-H2O-H C10H14NO5P 0.074110882 3-Methyl-1,2-cyclohexanedione 251.1288688 6.395766667 89702 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.3 0.0 M-H C14H20O4 -0.055211196 Ptilosteroid B 429.1955725 6.464716667 LMST02030213 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 38.3 1.16 M-H C21H34O7S 0.754405726 Isopropyl acetate 203.1282427 6.584316667 87517 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives 1 Unclassified 38.3 0.0 2M-H C5H10O2 -3.135323333 6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester 327.2178665 6.653383333 70929 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C17H30O3 0.598012927 Carbaryl 246.0765752 6.670466667 1496 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C12H11NO2 -3.015005638 azaperone 653.3397281 7.019183333 3933 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C19H22FN3O -3.631949624 2-Phenylethyl 3-methyl-2-butenoate 249.1131156 7.17355 92544 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.3 0.0 M+FA-H C13H16O2 -0.573214401 10-Hydroxymyristic acid methyl ester 303.2178424 7.224516667 HMDB0031061 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.3 0.0 M+FA-H C15H30O3 0.560553638 3-tert-Butyl-5-methylcatechol 225.1128169 7.565433333 66083 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 M+FA-H C11H16O2 -2.308118815 Leukotriene A4 363.2180845 8.245533333 HMDB0001337 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C00909 38.3 0.0 M+FA-H C20H30O3 1.21558032 Chenodeoxycholic acid sulfate 471.243046 8.39665 HMDB0002522 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 38.3 5.86 M-H C24H40O7S 1.795239378 Panaxacol 323.1863947 8.514016667 HMDB0039251 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.3 0.0 M+FA-H C17H26O3 -0.010314607 Uridine 5'-monophosphate 369.0356023 8.545833333 HMDB0000288 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides 3 C00105 38.3 0.0 M+FA-H C9H13N2O9P 4.730434875 Lucidenic acid H 475.2681037 8.545833333 HMDB0035908 Organoheterocyclic compounds Tetrahydrofurans Unclassified 1 Unclassified 38.3 3.97 M-H C27H40O7 -4.248507964 7,8-Dihydro-3b,6a-dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 521.2610379 8.545833333 95959 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.3 0.0 M-H C24H42O12 1.316447706 Ethyl 10-undecenoate 257.1758363 8.8387 HMDB0034286 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.3 0.0 M+FA-H C13H24O2 0.016278082 N-Acetyl-8-O-methyl-Neuraminic acid 645.2386324 8.90455 5736 Unclassified Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C12H21NO9 4.094960322 Methylhildgardtol B 703.3279969 9.230666667 47379 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.3 0.0 2M-H C22H24O4 0.503793909 Nicotine imine 321.2072577 9.313333333 HMDB0001010 Alkaloids and derivatives Unclassified Unclassified Unclassified Unclassified 38.3 0.0 2M-H C10H13N2+ -3.763754472 2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one 473.2525294 9.634266667 HMDB0034064 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.3 5.47 M+FA-H C26H36O5 -4.547933381 Oleanolic acid 3-[glucosyl-(1->4)-xyloside] 795.4549222 9.634266667 HMDB0036357 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 38.3 0.0 M+FA-H C41H66O12 1.721343863 Sannamycin B 331.235378 0.640766667 71873 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H C15H32N4O4 0.899804208 Gamma-glutamyl-Serine 232.0935556 0.668933333 86050 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H C8H15N3O5 -1.452572321 Threoninyl-Gamma-glutamate 246.1093192 0.668933333 HMDB0029075 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M-H C9H17N3O5 -0.910459236 Deoxyguanidinoproclavaminic acid 273.1206646 0.668933333 64561 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C9H16N4O3 0.970215759 3-Epihydroxy-2'-deoxymugineic acid 319.1148167 0.668933333 70950 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H C12H20N2O8 0.398215772 Diacetylmonoxime 201.0873938 0.682916667 66667 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C4H7NO2 -3.397877113 N2-Acetyl-L-ornithine 219.0979731 0.682916667 3303 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00437 38.2 0.0 M+FA-H C7H14N2O3 -3.860432626 N2-gamma-Glutamylglutamine 274.1047061 0.682916667 HMDB0011738 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C05283 38.2 0.0 M-H C10H17N3O6 0.898773167 Lycomarasmine B 276.0837039 0.682916667 67021 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H C9H15N3O7 -0.070538746 Prolyl-Serine 247.093375 0.696866667 85919 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+FA-H C8H14N2O4 -0.914345667 5'-Hydroxy-2'-methoxy-3,4-methylenedioxyfurano[2'',3'':4',3']chalcone 319.0612754 0.710833333 51945 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H2O-H C19H14O6 0.231890364 BENFLURALIN 669.2103295 0.710833333 44585 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C13H16F3N3O4 -1.455343845 Asparaginyl-Hydroxyproline 290.0995367 0.73875 85647 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M-H, M+FA-H C9H15N3O5 -0.675705905 Imidazole lactate 311.0987819 0.73875 63498 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C6H8N2O3 -2.9665927 2-(4'-Methylthio)butylmalic acid 471.1358985 0.73875 64497 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C9H16O5S -1.08922065 D-1-Deoxy-erythro-hexo-2,3-diulose 369.1043229 0.752666667 86599 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.2 0.0 M+FA-H C12H20O10 1.459910591 L-Fucose 1-phosphate 243.0273446 0.766866667 6120 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C02985 38.2 0.0 M-H C6H13O8P -0.749578611 Diammonium sulfite 231.0443057 0.781 88579 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H H8N2O3S 1.96448653 2,4-Diamino-6-nitrotoluene 333.1307085 0.781 HMDB0060362 Benzenoids Benzene and substituted derivatives Nitrobenzenes Unclassified C16396 38.2 0.0 2M-H C7H9N3O2 -2.897574573 N-Acetyl-b-neuraminic acid 290.0885396 0.810033333 5764 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H2O-H C11H19NO9 1.292514747 L-Cystathionine 267.062432 1.008516667 HMDB0000099 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C02291 38.2 0.0 M-H2O-H, M+FA-H C7H14N2O4S -2.7330499 3-hydroxy-suberic acid 235.082075 1.008516667 LMFA01170093 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.2 0.0 M+FA-H C8H14O5 -1.322628248 Imidazoleacetic acid ribotide 337.0442695 1.008516667 58346 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C04437 38.2 0.0 M-H C10H15N2O9P 0.086388458 6-[(3-carboxy-2-methylprop-2-en-1-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 337.0786938 1.008516667 HMDB0128928 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+FA-H C11H16O9 3.625043533 7,7'-Dihydroxy-6,8'-bicoumarin 303.0294564 1.136383333 HMDB0033559 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Unclassified Unclassified 38.2 0.0 M-H2O-H C18H10O6 -1.36802019 2,3-Bis(p-hydroxyphenyl)acrylonitrile 473.1516947 1.136383333 70405 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C15H11NO2 2.138294398 Thiotepa 377.0921039 1.237583333 HMDB0015576 Organic acids and derivatives Organic thiophosphoric acids and derivatives Unclassified 2 C07641 38.2 0.0 2M-H C6H12N3PS 3.888503236 Benzo[a]fluorene 431.1785846 1.648083333 73049 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C17H12 -4.488136983 Allobarbital 253.0829176 1.801016667 85061 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C10H12N2O3 -0.372351079 Beta-Glycerophosphoric acid 343.0187664 10.57776667 HMDB0002520 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified C02979 38.2 0.0 2M-H C3H9O6P -3.797594216 3-Epipapyriferic acid 649.3968292 10.66186667 HMDB0040498 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.2 1.25 M+FA-H C35H56O8 1.832566817 Ginsenoyne C 275.1656283 11.14928333 93600 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.2 0.0 M-H C17H24O3 1.303971065 D(-)-beta-hydroxy butyric acid 207.0880981 14.28808333 LMFA01050005 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates 2 C01089 38.2 0.0 2M-H C4H8O3 3.298263994 D-4-Hydroxyphenylglycine 212.0558926 2.0892 34528 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C8H9NO3 -3.312797096 2-Pyridylamide oxime 273.1094696 2.242333333 45425 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C6H7N3O -3.931525565 L-Fuculose 327.1310879 2.39515 63165 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 2 C01721 38.2 0.0 2M-H C6H12O5 4.319432261 Benzo[b]fluorene 431.1785782 3.34905 70018 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C17H12 -4.502876227 4-(o-Carboxybenzamido)glutaramic acid 293.0781633 4.325166667 2817 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H C13H14N2O6 0.86214053 N-Phenylacetylglutamic acid 310.0937517 4.393816667 HMDB0059772 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+FA-H C13H15NO5 1.985007576 1-Dehydro-9-fluoro-11-oxotestololactone 663.2755717 4.462783333 70857 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C19H21FO4 -2.900342033 4-Coumaroylputrescine 279.1352122 4.497216667 HMDB0033461 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.2 0.0 M+FA-H C13H18N2O2 0.775355282 Tetrahydrodipicolinate 341.10038 4.497216667 HMDB0012289 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C03972 38.2 0.0 2M-H C7H9NO4 3.919377104 H-9 296.0711715 4.531583333 45530 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C11H13N3O2S 0.481911892 (+/-)-Ethyl 3-acetoxy-2-methylbutyrate 233.1028556 4.548783333 88306 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.2 0.0 M+FA-H C9H16O4 -1.096677951 Pyridoxal (Vitamin B6) 212.0560104 4.583133333 2203 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C8H9NO3 -2.607856515 albendazole sulfoxide 593.1484254 4.6004 795 Organoheterocyclic compounds Benzimidazoles Unclassified Unclassified C02809 38.2 0.0 2M-H C12H15N3O4S -1.602471613 Mipafox 363.1889995 4.66925 72759 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C6H16FN2OP -1.592735305 monodeallyalmitrine 436.205583 4.7379 925 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H C23H25F2N7 -2.495057918 4-Sulfobenzaldehyde 230.9967005 4.772233333 66490 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C7H6O4S -0.97863777 6-(4-ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 341.0882556 4.772233333 HMDB0125168 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.2 0.0 M+FA-H C14H16O7 1.519546973 Dihydro-3-coumaric acid 211.0614079 4.823433333 4152 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified 2 C11457 38.2 0.0 M+FA-H C9H10O3 1.2697365 Musk ambrette 267.0987661 4.8565 73155 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H C12H16N2O5 0.451121108 Mahaleboside 369.083277 4.955766667 88883 Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Unclassified Unclassified 38.2 0.0 M+FA-H C15H16O8 1.717549256 thio-m-Toluthioamide 301.0831638 4.9897 96500 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C8H9NS -2.318449833 3-Isopropenylpentanedioic acid 217.0713528 5.023283333 HMDB0032352 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.2 0.0 M+FA-H C8H12O4 -2.376760983 Ethyl 2-furanpropionate 213.0764299 5.05715 88826 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.2 0.0 M+FA-H C9H12O3 -2.482289283 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 301.1297427 5.07435 HMDB0040352 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 38.2 0.0 M+FA-H C13H20O5 1.819702571 butamben 238.1083348 5.1259 3942 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C11H15NO2 -0.76013211 5'-Butyrylphosphoinosine 463.0891143 5.1603 63405 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C14H19N4O9P 4.655934512 Caffeic acid 3-O-glucuronide 401.0730287 5.2635 HMDB0041705 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.2 0.0 M+FA-H C15H16O10 1.345494598 N-Fluorenylacetamide 445.1914521 5.28065 516 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C15H13NO -1.567869707 PD 169316 719.1954077 5.315033333 64644 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C20H13FN4O2 -2.532189751 {[1-(4-methoxyphenyl)pentan-3-yl]oxy}sulfonic acid 319.0859872 5.34725 HMDB0133010 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 38.2 0.0 M+FA-H C12H18O5S 1.056727047 N,N-diethyl-3-hydroxybut-2-enamide 202.107893 5.412316667 LMFA08020190 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 38.2 0.0 M+FA-H C8H15NO2 -3.746670751 Saxagliptin 360.193393 5.412316667 85562 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.2 0.0 M+FA-H C18H25N3O2 1.627686895 AMIPRILOSE 350.1823086 5.428783333 44328 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C14H27NO6 0.878723851 3-Hydroxy-carbofuran 236.0926311 5.479133333 88702 Organoheterocyclic compounds Coumarans Unclassified Unclassified Unclassified 38.2 0.0 M-H C12H15NO4 -0.845419376 1,7-Dihydroxytacrine 275.1042112 5.52985 2625 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C13H14N2O2 2.08894805 Lophirone D 381.076635 5.52985 LMPK12120074 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.2 0.0 M-H2O-H C24H16O6 -0.530230036 BAY-11-7082 252.0336394 5.579683333 45239 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C10H9NO2S 0.178642802 CYPMPO 228.0802966 5.629433333 64679 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H2O-H C10H18NO4P 3.209341202 (S)-Methylbutanethioic acid 263.0778557 5.712733333 HMDB0061879 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.2 0.0 2M-H C5H8O4 2.327365257 5-Hydroxypyrazinoic acid 279.0362253 5.729433333 2198 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C5H4N2O3 -3.150414232 3-Oxotetradecanoic acid 287.1866537 5.79705 HMDB0010730 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.2 0.0 M+FA-H C14H26O3 1.057761023 5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone 385.0933401 5.813583333 47948 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H C20H18O8 1.162901255 2'''-N-Acetyl-6'''-deamino-6'''-hydroxyneomycin C 656.298627 5.813583333 71796 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H C25H47N5O15 -1.464209158 PGH2 397.2233989 5.847766667 LMFA03010010 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C00427 38.2 0.0 M+FA-H C20H32O5 0.629940984 Gonyautoxin V 378.0834438 5.899483333 HMDB0033513 Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Unclassified 1 Unclassified 38.2 0.0 M-H C10H17N7O7S -0.782655319 UK-121,265 364.1042979 5.9164 HMDB0060893 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 38.2 0.0252 M-H C16H14F3N5O2 4.423229764 1,2-Dihydroxytacrine 275.1040867 5.9849 2628 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C13H14N2O2 1.547545369 (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol 341.1970894 6.199233333 93441 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.2 0.0 M+FA-H C17H28O4 0.429171961 2-Phenylethyl propanoate 223.0971807 6.32685 90373 Benzenoids Benzene and substituted derivatives Unclassified 1 Unclassified 38.2 0.0 M+FA-H C11H14O2 -2.256563183 12-Oxo-c-LTB3 686.2981288 6.32685 HMDB0060154 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 38.2 0.0 M+FA-H C30H47N3O10S 2.66677293 {[1-hydroxy-2-(phenylmethylidene)heptan-3-yl]oxy}sulfonic acid 345.1012523 6.344066667 HMDB0126526 Phenylpropanoids and polyketides Cinnamyl alcohols Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C14H20O5S -0.317609137 10,11-Epoxy-7Z-hexadecenoic acid 313.2023402 6.618816667 LMFA01070026 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.2 0.0 M+FA-H C16H28O3 1.090686384 Asclepin 619.2781676 6.618816667 67224 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H, 2M-H, M-H C31H42O10 3.773802069 7alpha-Hydroxytestosterone 349.2022714 6.670466667 LMST02020068 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C05291 38.2 0.0 M+FA-H C19H28O3 0.735494211 DEOXYSAPPANONE B TRIMETHYL ETHER 373.1295688 6.704116667 43618 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C19H20O5 0.890423559 Linalyl isobutyrate 269.1760395 6.9526 86967 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.2 0.0 M+FA-H C14H24O2 0.92170245 Vanillactic acid 423.1278672 7.10455 HMDB0000913 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 38.2 0.0 2M-H C10H12O5 -4.25187042 5'-Hydroxystreptomycin 578.241523 7.224516667 71782 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M-H2O-H C21H39N7O13 -2.042982294 Coroglaucigenin-3-o-alpha-L-rhamnopyranoside 581.2973823 7.37805 71756 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C29H44O9 1.205424464 Tauroursodeoxycholic acid 544.2956013 7.497233333 HMDB0000874 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 Unclassified 38.2 0.0 M+FA-H C26H45NO6S 1.280281463 Tropisetron 567.300044 7.548516667 69620 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C17H20N2O2 4.160905173 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne 599.2628305 7.7778 HMDB0030922 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.2 1.39 2M-H C18H20O4 -3.683843079 Hexyl 2-furoate 391.2131961 7.89455 HMDB0037725 Organoheterocyclic compounds Furans Furoic acid and derivatives Unclassified Unclassified 38.2 0.0 2M-H C11H16O3 1.488325708 2-ETHOXYCARBONYL-5,7-DIHYDROXY-8,3',4',5'-TETRAMETHOXYISOFLAVONE 491.1200686 8.34645 44104 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C22H22O10 1.274973922 azosemide 350.989407 8.6574 96154 Organoheterocyclic compounds Azoles Tetrazoles Unclassified Unclassified 38.2 0.0 M-H2O-H C12H11ClN6O2S2 -0.257187516 3-Methyl-1-phenyl-1-butanone 207.1020562 9.063183333 265084 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 M+FA-H C11H14O -3.77375981 4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol 391.2131703 9.313333333 1266 Unclassified Unclassified Unclassified Unclassified Unclassified 38.2 0.0 2M-H C11H16O3 1.422747757 N2,N5-Dibenzoyl-L-ornithine 679.2799141 0.542566667 66028 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C19H20N2O4 3.786999283 1-(5-Hydroxy-2-pyrimidinyl)piperazine 225.0989028 0.6128 1453 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C8H12N4O -2.282640616 3,6,8-Trimethylallantoin 245.0891536 0.654816667 64464 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C7H12N4O3 0.052429519 5-O-p-Coumaroylnigrumin 841.2666373 0.654816667 93383 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.1 0.0 2M-H C20H23NO9 -0.770443932 Istamycin FU-10 323.146016 0.668933333 71977 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C12H24N2O8 0.082282864 Sulfanilamide 217.0293632 0.682916667 HMDB0014404 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified C07458 38.1 0.0 M+FA-H C6H8N2O2S 2.975088859 Piperolactam D 589.1625899 0.682916667 93250 Alkaloids and derivatives Aristolactams Unclassified Unclassified Unclassified 38.1 0.0 2M-H C17H13NO4 1.610620128 D-Ribulose 5-phosphate 211.000871 0.696866667 HMDB0000618 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00199 38.1 0.0 M-H2O-H C5H11O8P -1.920772002 7-METHOXYCHROMONE 351.0876288 0.696866667 44466 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C10H8O3 0.616452977 Ribitol 151.0601112 0.710833333 HMDB0000508 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C00474 38.1 0.0 M-H C5H12O5 -7.140508685 PHENOLPHTHALEIN 363.0880427 0.724833333 44257 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C20H14O4 1.983388778 Deoxyribose 267.1092371 0.766866667 HMDB0003224 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01801 38.1 0.0 2M-H C5H10O4 2.595566968 Methyl glucosinolate 332.0118187 0.766866667 HMDB0038429 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C08404 38.1 0.0 M-H C8H15NO9S2 0.817126715 3,4,5-trihydroxy-6-[(4-hydroxy-3-methylbut-2-enoyl)oxy]oxane-2-carboxylic acid 337.0784786 0.781 HMDB0128929 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 M-H2O-H, M+FA-H C11H16O9 1.127079895 Sulfate 194.9268964 0.842266667 HMDB0001448 Homogeneous non-metal compounds Non-metal oxoanionic compounds Non-metal sulfates 2 C00059 38.1 0.0 2M-H H2O4S -2.992178653 Calcium glycerophosphate 208.9529742 0.942083333 69510 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C3H7CaO6P -1.738175483 4-Nitroquinoline-1-oxide 189.0299677 1.008516667 24073 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C9H6N2O3 -3.146586569 Norepinephrine sulfate 248.0233732 1.008516667 HMDB0002062 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 38.1 0.0 M-H C8H11NO6S -0.234496138 Gamma-glutamyl-Hydroxyproline 258.1096189 1.008516667 HMDB0029150 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M-H C10H17N3O5 0.288042787 4,5-Dihydroxysulfadiazine 281.0342067 1.008516667 2438 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C10H10N4O4S -2.810469867 1-Deoxy-D-glucitol 331.1624807 1.037216667 HMDB0041500 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 2M-H C6H14O5 4.545918882 Gamma-glutamyl-Isoleucine 258.1460005 1.05315 86044 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H, M+FA-H C11H21N3O4 0.272907437 p-Mentha-1,3,8-triene 267.2125579 1.086733333 HMDB0037013 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.1 0.0 2M-H C10H14 2.73450347 2-Phenyl-1,3-propanediol monocarbamate 194.0816074 1.1036 HMDB0060351 Benzenoids Benzene and substituted derivatives Unclassified 2 C16586 38.1 0.0 M-H C10H13NO3 -3.38015332 Castanospermine 234.0980341 1.1036 65740 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C8H15NO4 -1.463548027 4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone 268.0939632 1.120283333 HMDB0062382 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C19563 38.1 0.0 M+FA-H C10H13N3O3 0.309670497 2-Amino-3-carboxymuconate semialdehyde 230.0303682 1.169433333 3319 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C04409 38.1 0.0 M+FA-H C7H7NO5 -1.388752467 6-(1-carboxy-1-methylethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 261.0616103 1.22085 HMDB0126113 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 M-H2O-H C10H16O9 0.069078301 2-Oxo-7-methylthioheptanoic acid 189.0590331 1.271983333 64499 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C8H14O3S -0.293407217 1,4-Dideoxy-1,4-Imino-D-Arabinitol 178.0725926 1.408 44693 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C5H11NO3 3.730816075 gamma-Glutamylproline 289.1044378 1.45945 HMDB0029157 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M+FA-H C10H16N2O5 1.28353186 S-(3-oxo-3-carboxy-n-propyl)cysteine 220.0280832 1.476633333 HMDB0002135 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M-H C7H11NO5S -1.962828566 8-Methoxykynurenate 437.0970504 1.476633333 HMDB0060426 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids 2 C05830 38.1 0.0 2M-H C11H9NO4 -4.539444549 Gamma-glutamyl-Tyrosine 308.125408 1.52805 86053 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C14H19N3O5 0.691219985 Vanillylmandelic acid 243.0508195 1.57935 HMDB0000291 Benzenoids Phenols Methoxyphenols 3 C05584 38.1 0.0 M+FA-H C9H10O5 -1.043967325 Epsilon-(gamma-Glutamyl)-lysine 274.141156 1.57935 HMDB0003869 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M-H C11H21N3O5 1.132722925 Melanostatin 329.1832265 1.57935 58299 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M+FA-H C13H24N4O3 0.643989141 2-Phospho-D-glyceric acid 184.9863959 1.73295 HMDB0003391 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00631 38.1 0.0 M-H C3H7O7P 3.941777376 Mannitol 1-phosphate 307.0428424 1.902366667 HMDB0001530 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00644 38.1 0.0 M+FA-H C6H15O9P -2.782722387 Flupyrsulfuron-methyl sodium 469.02881 10.0187 72617 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H2O-H C15H14F3N5NaO7S 0.570352833 alpha-Carissanol 503.3385523 10.09958333 90874 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.1 0.0 2M-H C15H24O3 1.46629434 1-Hydroxy-3-octanone 287.2230771 10.2003 LMFA05000602 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 38.1 0.0 2M-H C8H16O2 1.019992837 5-Hydroxy-1-(4-hydroxyphenyl)-3-decanone 309.1710809 10.29736667 64192 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C16H24O3 1.262092059 Anapear 307.1917557 10.33026667 HMDB0040285 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.1 0.0 2M-H C9H14O2 0.885156707 dolichyl D-xylosyl phosphates 617.345378 10.37965 53859 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C30H53O8P -1.100949921 D-myo-Inositol 1,4-bisphosphate 320.9782753 10.77821667 410 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 2 C01220 38.1 0.0 M-H2O-H C6H14O12P2 0.197798307 L-Nicotine 323.2230009 11.0114 1526 Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines 2 C00745 38.1 0.0 2M-H C10H14N2 -3.453022043 sn-3-O-(geranylgeranyl)glycerol 1-phosphate 425.2469956 11.13415 46751 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 2 C04590 38.1 0.0 M-H2O-H C23H41O6P 1.713178766 (Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate 277.144727 11.31493333 HMDB0031000 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.1 0.0 M+FA-H C15H20O2 0.83654402 tridecanal 243.1965032 11.44781667 LMFA06000074 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 38.1 0.0 M+FA-H C13H26O -0.328329301 5-Nitrofurfural 281.0044811 15.97836667 69938 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C5H3NO4 -2.331922999 ethyl-2,4-dimethyl-Thiazole-5-Carboxylate 230.0489527 2.020966667 96503 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C8H11NO2S -1.619923785 3,4,5-trihydroxy-6-(4-hydroxybenzoyloxy)oxane-2-carboxylic acid 359.0625791 2.123266667 HMDB0125175 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 M+FA-H C13H14O9 1.89196893 gamma-Glutamyl-beta-cyanoalanine 288.0840238 2.42905 HMDB0060478 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C05711 38.1 0.0 M+FA-H C9H13N3O5 1.235699257 Tetrahydro-2,5-furan-diacetic acid 187.0604356 2.5139 HMDB0059767 Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Unclassified Unclassified 38.1 0.0 M-H C8H12O5 -4.048762958 Sudan II 551.2476263 3.0243 73205 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C18H16N2O 4.303182521 Cis-5-Caffeoylquinic acid 399.0934373 3.126616667 HMDB0029278 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 3 Unclassified 38.1 0.0 M+FA-H C16H18O9 0.430059647 2-Methoxycarbonylphenyl beta-D-glucopyranoside 359.0986776 3.314733333 89023 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 M-H, M+FA-H C14H18O8 1.185559404 Theogallin 389.0728892 3.314733333 HMDB0039287 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 38.1 0.0 M+FA-H C14H16O10 0.987176877 Apigenin 7-(6''-crotonylglucoside) 545.1296362 4.428283333 LMPK12110390 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.1 2.42 M+FA-H C25H24O11 -0.856316837 Nicotianamine 302.1359934 4.445533333 66305 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C12H21N3O6 0.773482247 5-Hydroxytryptophol glucuronide 677.2533209 4.565966667 HMDB0013200 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 2M-H C16H21NO7 -4.432926333 6-(4-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 313.0552906 4.583133333 HMDB0125174 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 1.76 M-H C13H14O9 -3.868490398 Triacsin C 252.1354163 4.703683333 358 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C11H17N3O 0.247580535 2,5-Dimethyl-3-mercaptotetrahydrofuran 263.1139531 4.7379 88286 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 38.1 0.0 2M-H C6H12OS -2.053819506 Methabenzthiazuron 441.1173747 4.806216667 68678 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C10H11N3OS 0.192587595 Diacetyl 171.0654232 4.823433333 LMFA12000012 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C00741 38.1 0.0 2M-H C4H6O2 -4.993595007 (3-Arylcarbonyl)-alanine 238.0718571 4.823433333 65981 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C10H11NO3 -1.237626569 5-Hydroxy-6-methoxyindole glucuronide 338.0887409 5.023283333 61677 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C03033 38.1 0.0 M-H C15H17NO8 1.771860132 Quercetin 3-galactoside 509.0942629 5.04015 HMDB0030775 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides 3 C10073 38.1 0.0 M+FA-H C21H20O12 1.258329839 trans-4-Hydroxycyclohexanecarboxylate 189.0761765 5.05715 66175 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C7H12O3 -4.654243923 Butyrylcarnitine 230.1395674 5.091566667 HMDB0002013 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C02862 38.1 0.0 M-H C11H21NO4 -0.927153201 Gamma-glutamyl-Threonine 493.2311984 5.143133333 86051 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H, 2M-H C9H17N3O5 1.733167165 3,4-Methylene suberic acid 197.0813246 5.211683333 HMDB0059768 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.1 0.0 M-H2O-H, M-H C10H14O4 -3.959022653 1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose 337.0935844 5.211683333 HMDB0040866 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 38.1 64.4 M-H2O-H C16H20O9 1.946807388 (-)-trans-Carveol 197.117716 5.228883333 6934 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C00964 38.1 0.0 M+FA-H C10H16O -3.957343294 Orthosporin 281.0668706 5.297816667 68045 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C12H12O5 0.822690373 2-(6'-Methylthio)hexylmalic acid 309.1018688 5.331016667 64505 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C11H20O5S 1.973362808 3,4,5-trihydroxy-6-(3-methoxybenzoyloxy)oxane-2-carboxylic acid 327.0726409 5.331016667 HMDB0127992 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.1 0.0 M-H C14H16O9 1.479045445 3-Methyloxindole 192.0658895 5.3795 65756 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C9H9NO -4.945455502 Tryptophyl-Aspartate 364.1153199 5.3795 85972 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M+FA-H C15H17N3O5 0.928663235 PRIMA-1 369.2030387 5.44555 64852 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C9H15NO3 -0.193303296 Podofilox 459.1307432 5.495933333 HMDB0015310 Lignans, neolignans and related compounds Lignan lactones Podophyllotoxins 2 C10874 38.1 0.0 M+FA-H C22H22O8 2.590242684 Ketanserinol 396.171456 5.52985 890 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C22H24FN3O3 -3.619097648 Phenazine methosulfate 351.0659455 5.562866667 65509 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C14H14N2O4S 1.028263194 Caffeic acid 3-glucoside 387.0937974 5.562866667 68321 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C15H18O9 1.497758892 2,3-Methylene suberic acid 179.0705187 5.596366667 HMDB0059779 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.1 0.0 M-H2O-H C10H14O4 -4.28629103 Cantleyine 413.1734365 5.596366667 68022 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C11H13NO3 3.926816641 Brusatol 565.1934731 5.629433333 67173 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.1 0.0 M+FA-H C26H32O11 1.5540831 Vildagliptin 348.1930677 5.712733333 HMDB0015596 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 M+FA-H C17H25N3O2 0.619326139 3-(sulfooxy)butanoic acid 164.9868518 5.729433333 HMDB0130131 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.1 0.0 M-H2O-H C4H8O6S 2.901620193 Chitobiose 471.1448049 5.779983333 HMDB0003556 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01674 38.1 0.0 M+FA-H C15H26N2O12 -4.628189878 2-Furanmethanol 195.0656255 5.864966667 HMDB0013742 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified C20441 38.1 0.0 2M-H C5H6O2 -3.350178698 Epicatechin 579.1517309 5.967566667 HMDB0001871 Phenylpropanoids and polyketides Flavonoids Flavans 3 C09727 38.1 0.0 2M-H C15H14O6 1.604672362 4-Hydroxylevamisole Glucuronide 395.0920123 6.134933333 728 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C17H20N2O7S 0.420916299 L-Oxalylalbizziine 437.0914515 6.18385 93758 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.1 0.0 2M-H C6H9N3O6 1.045245611 27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol 497.3126118 6.2448 84028 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 38.1 0.0 M-H2O-H C27H48O9 1.200377182 5-Hydroxy-6-desmethylprimaquine 521.2906004 6.361283333 2081 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C14H19N3O2 4.639347646 1-Ethyl-2-benzimidazolinone 323.1515622 6.413016667 69727 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C9H10N2O 0.656352822 Sevoflurane 180.9884362 6.430283333 HMDB0015366 Organic oxygen compounds Organooxygen compounds Ethers Unclassified C07520 38.1 0.0 M-H2O-H C4H3F7O -4.674752554 D-Galactose 359.117242 6.430283333 HMDB0000143 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C00984 38.1 0.0 2M-H C6H12O6 -6.269298861 Methacrifos 221.0037728 6.499 72519 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H2O-H C7H13O5PS -2.15497652 NBD-FTY720 phenoxy 472.2191027 6.670466667 64844 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H C23H31N5O6 -2.228620115 2-Methoxyestradiol 347.1865396 6.704116667 5394 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 2 C05302 38.1 0.0 M+FA-H C19H26O3 0.470093623 Miglustat 200.1285 6.7381 85381 Organoheterocyclic compounds Piperidines Unclassified Unclassified Unclassified 38.1 0.0 M-H2O-H C10H21NO4 -3.272052284 Citronellyl propionate 257.1758565 7.241033333 HMDB0037226 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 38.1 0.0 M+FA-H C13H24O2 0.111464332 Tremetone 403.1895031 7.615333333 67334 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C13H14O2 -4.898258026 2-Ethyl-3,5-dimethylpyrazine 271.1917054 7.97785 94823 Organoheterocyclic compounds Diazines Pyrazines 1 Unclassified 38.1 0.0 2M-H C8H12N2 -4.096209506 Dihydrostreptomycin 564.2616948 8.0772 2497 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M-H2O-H C21H41N7O12 -3.058383463 2-Decenoic acid, 9-hydroxy-, [R-(E)]-; (R,E)-(-)-9-Hydroxy-2-dodecenoic acid; (R,E)-9-Hydroxy-2-decenoic acid 371.2440807 8.177383333 74614 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C10H18O3 0.452094593 Onchidal 321.1708789 8.21155 73485 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C17H24O3 0.475918913 Acetylenic acids; 10-Heptadecen-8-ynoic acid, 7-hydroxy- 327.2178874 8.39665 74624 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C17H30O3 0.672147677 N-Acetyldemethylphosphinothricin 415.0666155 8.39665 63587 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C6H11NO5P -2.586722923 2-Heptylbenzothiazole 465.2386056 8.74035 HMDB0040033 Organoheterocyclic compounds Benzothiazoles Unclassified Unclassified Unclassified 38.1 0.0 2M-H C14H19NS -3.773141211 N-Despropylpergolide 543.2635236 8.789666667 1790 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C16H20N2S 2.500097261 cis-1,2-Dihydro-3-ethylcatechol 279.1603602 9.013916667 66507 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 2M-H C8H12O2 0.633211244 6-Ethylchenodeoxycholic acid 465.3224188 9.063183333 70990 Unclassified Unclassified Unclassified Unclassified Unclassified 38.1 0.0 M+FA-H C26H44O4 0.609158572 Epioxylubimin 503.3384105 9.499433333 90886 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.1 0.0 2M-H C15H24O3 1.185028087 Hypothiocyanite 148.9486284 0.542566667 HMDB0012974 Organosulfur compounds Thiocyanates Unclassified Unclassified Unclassified 38.0 0.0 2M-H CHNOS 0.903920167 Diallyl Trisulfide 158.9775005 0.570933333 64723 Organosulfur compounds Organic trisulfides Unclassified Unclassified Unclassified 38.0 0.0 M-H2O-H C6H10S3 4.934195759 Carnosine 271.1040432 0.654816667 38 Organic acids and derivatives Peptidomimetics Hybrid peptides 2 C00386 38.0 0.0 M+FA-H C9H14N4O3 -3.317031837 2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate 333.0593248 0.668933333 66232 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H C9H19O11P 0.30896903 5-Hydroxyectoine 203.06661 0.682916667 63420 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H, 2M-H, M-H C6H10N2O3 -4.650429574 O-Carbamoyl-deacetylcephalosporin C 461.0975179 0.73875 64546 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C15H20N4O8S -2.089924977 3-Hydroxy-3-carboxymethyl-adipic acid 439.1098094 0.766866667 HMDB0059775 Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Unclassified Unclassified 38.0 0.0 2M-H C8H12O7 1.0915676 Pydanon 187.0352927 0.781 72870 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H C6H8N2O5 -4.000337858 5-Sulfoxymethylfurfural 204.9806474 0.794916667 HMDB0059752 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 38.0 0.0 M-H C6H6O6S -2.840501865 Oxaloglutarate 203.0190371 1.008516667 3339 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H C7H8O7 -3.37721386 Adenosine monophosphate 328.0454039 1.0224 HMDB0000045 Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides 3 C00020 38.0 0.0 M-H2O-H C10H14N5O7P 0.462546683 Canavaninosuccinate 337.1002809 1.037216667 HMDB0012197 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 Unclassified 38.0 0.0 M+FA-H C9H16N4O7 0.613266248 D-Thevetose 355.1624518 1.070166667 71174 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 2M-H C7H14O5 4.158547242 Threonate 181.0358869 1.203633333 4244 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01620 38.0 0.0 M+FA-H C4H8O5 3.754230009 Norcotinine 207.0769156 1.305483333 6142 Organoheterocyclic compounds Pyridines and derivatives Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C9H10N2O -3.703354839 Piperazine adipate 213.1239215 1.322616667 69714 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H2O-H C10H20N2O4 -2.345595946 Pimonidazole 299.1362096 1.408 44852 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C11H18N4O3 0.457446746 Isoamyl isothiocyanate 257.1142934 1.493833333 HMDB0032341 Organosulfur compounds Isothiocyanates Unclassified Unclassified Unclassified 38.0 0.0 2M-H C6H11NS -3.373917437 D-2,3-Diketo 4-deoxy-epi-inositol 205.0347967 1.57935 66561 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C6H8O5 -3.621295704 4-Sulfobenzoate 246.9916859 1.61365 65735 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C7H6O5S -0.550934249 Succinylproline 214.0715636 1.9526 69170 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H C9H13NO5 -2.475948839 1-Phenylheptane 221.1542583 10.083 HMDB0061825 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C13H20 -2.52712715 Mono-N-desisopropyldisopyramide 593.3601357 10.18381667 2343 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 2M-H C18H23N3O -1.367176916 Bismuth Subsalicylate 406.9965936 10.24855 HMDB0015408 Benzenoids Unclassified Unclassified Unclassified C07870 38.0 0.0 M+FA-H C7H5BiO4 -2.186651811 Cyclohexanone 195.1383856 10.47818333 58147 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified C00414 38.0 0.0 2M-H C6H10O -3.404946376 4-pyrrolidinopyridine 295.1916535 10.5441 64611 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 2M-H C9H12N2 -3.939479869 3,4,5-trihydroxy-6-({3-[3-methoxy-4-(sulfooxy)phenyl]prop-2-enoyl}oxy)oxane-2-carboxylic acid 495.0455973 10.74548333 HMDB0128060 Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Unclassified Unclassified 38.0 0.0 M+FA-H C16H18O13S 1.294962055 Shyobunyl acetate 309.2072055 11.044 HMDB0036153 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.0 0.0 M+FA-H C17H28O2 0.274351868 Lupulone 459.273428 11.1054 HMDB0030041 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified C10706 38.0 0.896 M+FA-H C26H38O4 -4.307783228 Isopentenyl pyrophosphate 244.9978106 2.038133333 6181 Lipids and lipid-like molecules Prenol lipids Isoprenoid phosphates 2 C00129 38.0 0.0 M-H C5H12O7P2 -3.003652995 6-[5-(carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 389.0730935 2.038133333 HMDB0125149 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 38.0 0.0 M+FA-H C14H16O10 1.580782593 trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester 519.1358 2.8878 HMDB0033694 Phenylpropanoids and polyketides Isoflavonoids Furanoisoflavonoids Unclassified Unclassified 38.0 0.0 M+FA-H C20H26O13 0.540383866 2-Hexenoylcarnitine 513.3157064 2.922083333 LMFA07070031 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.0 0.0 2M-H C13H23NO4 -4.731605736 N2-Fructopyranosylarginine 381.1630115 3.48595 HMDB0041541 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 38.0 0.0 M+FA-H C12H24N4O7 0.920757968 Bakers yeast extract 319.0964498 4.445533333 88242 Benzenoids Fluorenes Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C19H14O2 -4.13277695 7-Oxoheptanoic acid 189.0761375 4.61755 71248 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C7H12O3 -4.925513483 N-Deschlorobenzoyl indomethacin 264.0877995 4.634816667 HMDB0013988 Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Unclassified Unclassified 38.0 0.0 M+FA-H C12H13NO3 0.24341724 Aspidinol 269.1034891 4.754983333 68482 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C12H16O4 1.906542503 N-butyryl-L-Homocysteine thiolactone 232.0647566 4.789466667 45311 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C8H13NO2S -0.779879933 4-Hydroxyphenylacetylglutamic acid 280.0826867 4.8565 HMDB0006061 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05595 38.0 0.0 M-H C13H15NO6 0.092148246 ZAPA 291.0237631 4.872816667 69642 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 2M-H C4H6N2O2S 3.570279842 Dimethyl suberate 247.1187713 4.9385 71908 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C10H18O4 0.293538563 Poly-N-acetyllactosamine 428.1412384 4.955766667 HMDB0006583 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.0 0.0 M+FA-H C14H25NO11 0.717492999 5,7,2',3',4'-Pentahydroxy-3,6-dimethoxyflavone 7-glucoside 569.1155687 5.006433333 LMPK12113046 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C23H24O14 1.450838888 Olanzapine 623.2724417 5.04015 HMDB0005012 Organoheterocyclic compounds Benzodiazepines Unclassified Unclassified C07322 38.0 0.0 2M-H C17H20N4S -3.23113655 5-Aminoimidazole ribonucleotide 340.0544653 5.1259 6097 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C03373 38.0 0.0 M+FA-H C8H14N3O7P -2.284319953 Nedocromil 741.1906823 5.1259 1468 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified C07255 38.0 0.0 2M-H C19H17NO7 -4.102712916 PIROMIDIC ACID 269.1034532 5.1775 44296 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H2O-H C14H16N4O3 -3.283544479 [6]-Gingerdiol 5-O-beta-D-glucopyranoside 503.2517748 5.315033333 HMDB0036123 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.0 0.171 M+FA-H C23H38O9 4.340701847 Loganate 357.1204716 5.34725 44647 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H2O-H C16H24O10 3.631049763 Mescaline 210.1130485 5.363316667 3346 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H C11H17NO3 -2.455747924 CAY10562 226.0176344 5.3795 45271 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C8H7NO2S -1.756435912 Isorhamnetin 7-alpha-D-Glucosamine 522.1259788 5.495933333 50807 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.0 0.0 M+FA-H C22H23NO11 1.394542873 7-(3-Methylbut-2-enyl)-L-tryptophan 317.1511882 5.512683333 73344 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C16H20N2O2 1.86448097 3,4,5-trihydroxy-6-{[3-hydroxy-2-(phenylmethylidene)heptyl]oxy}oxane-2-carboxylic acid 441.1772768 5.512683333 HMDB0126524 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 38.0 0.0 M+FA-H C20H28O8 1.655937758 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate 403.0584187 5.52985 63396 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C12248 38.0 0.0 2M-H C5H6N4O5 -4.809927114 3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 313.1297872 5.579683333 LMFA01150047 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 38.0 0.0 M+FA-H C14H20O5 1.904408973 Tetracenomycin F2 429.0824058 5.596366667 63800 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C20H16O8 -0.81902582 CAY10574 263.0903856 5.6128 45317 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C9H10N6O 2.630847591 9,15-dioxo-11R-hydroxy-2,3,4,5-tetranor-prostan-1,20-dioic acid 373.1512709 5.6128 36186 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C16H24O7 2.635727442 5(S),6(R)-7-trihydroxymethyl Heptanoate 173.0810377 5.6454 44893 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H2O-H C8H16O5 -4.657836423 Phosphophosphinate 274.0246665 5.6454 69259 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H C6H15NO7P2 -1.571102531 Epoxy-hexobarbital 251.103703 5.679016667 85316 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 38.0 0.0 M-H C12H16N2O4 -0.109400953 2-Methyl-5-hydroxytryptamine 379.2130517 5.696233333 69619 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 2M-H C11H14N2O -2.36186883 Potassium 2-(1'-ethoxy) ethoxypropanoate 399.0837244 5.779983333 92159 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 2M-H C7H13KO4 2.048740389 Kikkanol A 299.186605 5.830633333 71808 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C15H26O3 0.816080233 Adefovir 272.0543478 5.899483333 68958 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 38.0 0.0 M-H C8H12N5O4P -3.904752715 ANTU 403.1040453 5.9164 72877 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 2M-H C11H10N2S -4.001290271 Anatoxin a(s) 233.081513 5.933116667 73483 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H2O-H C7H17N4O4P 2.429297197 Alosetron 293.139881 5.933116667 85451 Organoheterocyclic compounds Indoles and derivatives N-alkylindoles Unclassified Unclassified 38.0 0.0 M-H, M+FA-H C17H18N4O -3.072448577 AVOCADYNONE ACETATE 369.228581 5.933116667 43724 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C19H32O4 0.982822699 N-Acetyl-leu-leu-tyr-amide 447.2617812 6.002183333 68969 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H C23H36N4O5 1.087273653 Firocoxib 381.1017466 6.036733333 72180 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C17H20O5S 1.187140405 Meperidinic acid 264.1243154 6.0533 1129 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C13H17NO2 0.83860627 Unshuoside A 331.1763354 6.0533 86491 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 38.0 0.0 M-H C16H28O7 0.327033533 PA(20:3(8Z,11Z,14Z)/0:0) 441.2394937 6.0703 LMGP10050028 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 38.0 0.0 M-H2O-H C23H41O7P -3.596856562 Chandalone 385.1440458 6.087083333 LMPK12050204 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 38.0 0.899 M-H2O-H C25H24O5 -1.204936038 Trimipramine maleate 455.2181716 6.087083333 69763 Organoheterocyclic compounds Benzazepines Dibenzazepines Unclassified C07049 38.0 0.0 M+FA-H C24H30N2O4 -1.435116681 Apigenin 7-(2''-acetylglucoside) 519.1148771 6.134933333 48805 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 38.0 0.0 M-H, M+FA-H C23H22O11 0.874368297 TEPP 271.0503084 6.229033333 72768 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H2O-H C8H20O7P2 -0.954093708 10E,12E-tetradecadiene-4,6-diynoic acid 261.1132887 6.309916667 35237 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 38.0 0.0 M+FA-H C14H16O2 0.259624306 Methylmalonylcarnitine 306.1192929 6.32685 LMFA07070081 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 38.0 0.0 M+FA-H C11H19NO6 -0.564288017 alpha-Campholene acetate 241.1443968 6.430283333 88250 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.0 0.0 M+FA-H C12H20O2 -0.692989882 Mexicanin E 277.1081541 6.48195 67756 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C14H16O3 0.029637014 3,5-Dimethyl-2-vinylpyrazine 267.1603612 6.567 90279 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 38.0 0.0 2M-H C8H10N2 -4.321945821 10beta-Hydroxy-6beta-isobutyrylfuranoeremophilane 365.1971407 6.567 67884 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C09685 38.0 0.0 M+FA-H C19H28O4 0.557310068 Propane, 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxy- (Compound B) 193.0085712 6.771683333 2425 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M-H2O-H C5H6F6O2 -3.709299028 PIM1(19:2(9Z,12Z)/16:2(9Z,12Z)) 1051.558241 6.820883333 LMGP15010047 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositolglycans Unclassified Unclassified 38.0 7.25 M+FA-H C50H87O18P -2.944902263 3-Hydroxy-p-mentha-1,8-dien-7-al 211.0970126 6.90235 95964 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.0 0.0 M+FA-H C10H14O2 -3.431369836 Dihydrozeatin 441.2496828 7.019183333 HMDB0012215 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 1 C02029 38.0 0.0 2M-H C10H15N5O 3.705916744 Geranic acid 213.1127165 7.241033333 LMFA01030784 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 C16461 38.0 0.0 M+FA-H C10H16O2 -3.06988696 1H-Indole-3-acetamide 347.1533228 7.258066667 HMDB0029739 Organoheterocyclic compounds Indoles and derivatives Indoles 3 C02693 38.0 0.0 2M-H C10H10N2O 5.667968526 (1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide 293.1397308 7.446366667 87639 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 38.0 0.0 M+FA-H C15H20O3 1.142280899 Benzoyl phosphate 247.0007595 7.565433333 66355 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified C06206 38.0 0.0 M+FA-H C7H7O5P -2.739363112 Tetracenomycin C 517.0991062 7.615333333 63815 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C23H20O11 0.724072097 METHOPRENE (S) 355.2492593 8.110383333 44012 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C19H34O3 0.842897697 3-(2-Hydroxy-4-methylphenyl)-2-butanone 177.0912234 8.160583333 92915 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 38.0 0.0 M-H C11H14O2 -4.940228734 6-Acetyl-2,2-dimethyl-2H-1-benzopyran 403.1895222 8.228566667 87212 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 38.0 0.0 2M-H C13H14O2 -4.850913957 4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone 257.1758314 8.262566667 HMDB0039805 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 38.0 0.0 M+FA-H C13H24O2 -0.006865963 Chenodeoxycholic acid 3-sulfate 471.2424707 8.707533333 HMDB0002586 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 38.0 3.43 M-H C24H40O7S 0.577113763 10-Hydroxycarbazepine 507.205889 8.9835 HMDB0060676 Organoheterocyclic compounds Benzazepines Dibenzazepines 2 C07493 38.0 0.0 2M-H C15H14N2O2 4.151915218 Cardanolide skeleton 389.2700748 9.550116667 57771 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 M+FA-H C23H36O2 0.992015659 3,5-Dihydroxyergosta-7,22-dien-6-one 473.3275731 9.550116667 88065 Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids 1 Unclassified 38.0 0.0 M+FA-H C28H44O3 0.758672185 7-Hydroxy-6-methylhepta-3,5-dienal 279.1591666 9.920116667 72003 Unclassified Unclassified Unclassified Unclassified Unclassified 38.0 0.0 2M-H C8H12O2 -3.627206466 4-Fluorocyclohexadiene-cis,cis-1,2-diol 259.0786546 0.598866667 71224 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C6H7FO2 -0.324263731 3-Mercapto-2-methyl-1-butanol 239.1147616 0.654816667 HMDB0032373 Organosulfur compounds Thiols Alkylthiols Unclassified Unclassified 37.9 0.0 2M-H C5H12OS 1.10799464 Dopaxanthin 779.2086441 0.654816667 62868 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 1 C08543 37.9 0.0 2M-H C18H18N2O8 4.216024899 Threoninyl-Serine 205.0823002 0.668933333 85963 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M-H2O-H, M-H C7H14N2O5 -4.135474632 4,4'-Sulfonyldiphenol 499.0517406 0.668933333 69883 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C12H10O4S -1.884929778 Butanoylphosphate 167.0121976 0.696866667 65782 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H C4H9O5P 4.249878929 FELAMIDIN 699.2209739 0.696866667 44028 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C21H18O5 -3.708750857 Leucyl-Serine 217.1189326 0.781 HMDB0028938 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M-H C9H18N2O4 -2.053798074 L-Tyrosine methyl ester 4-sulfate 320.04489 0.794916667 66133 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C10H13NO6S 1.196010936 Methyl 3-(methylthio)butanoate 129.0374705 1.008516667 LMFA07010947 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M-H2O-H C6H12O2S -3.30277166 Ethyl methyl_succinate 205.0711703 1.008516667 HMDB0059893 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+FA-H C7H12O4 -3.694864742 N2-Succinylglutamic acid 228.0505969 1.008516667 6246 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H2O-H C9H13NO7 -3.090995404 Deoxycytidine 272.088972 1.008516667 3367 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides 2 C00881 37.9 0.0 M+FA-H C9H13N3O4 0.718738704 Aminoparathion 306.058144 1.008516667 6284 Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters Unclassified C06605 37.9 0.0 M+FA-H C10H16NO3PS 4.175703307 6-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 483.1359757 1.008516667 HMDB0124744 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.9 0.0 M-H2O-H C18H30O16 0.860244522 6-Nitrobenzo[a]pyrene 593.1514307 1.05315 73166 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C20H11NO2 1.262268283 Cycasin 297.0941387 1.070166667 65593 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 37.9 0.0 M+FA-H C8H16N2O7 0.733715827 2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan 355.0456681 1.070166667 48362 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H, M+FA-H C18H12O8 -0.766339873 N-Acetyl-b-glucosaminylamine 201.0874339 1.1036 HMDB0001104 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C01239 37.9 0.0 M-H2O-H, 2M-H C8H16N2O5 -2.93752437 Lysyl-Glutamate 274.1411641 1.1036 HMDB0028950 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M-H C11H21N3O5 1.161940805 Nitarsone 291.9438262 1.136383333 HMDB0031822 Benzenoids Benzene and substituted derivatives Nitrobenzenes Unclassified Unclassified 37.9 0.0 M+FA-H C6H6AsNO5 -2.309898873 Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate 249.0978458 1.237583333 66216 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C9H16O5 -0.640456374 Ritodrine glucuronide 508.1840991 1.254816667 2356 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C23H29NO9 3.594017129 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone 268.0940623 1.356966667 73235 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C19566 37.9 0.0 M+FA-H C10H13N3O3 0.75370152 OXIBENDAZOLE 294.109844 1.476633333 44351 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C12H15N3O3 1.203202415 Northienamycin 303.0656357 1.476633333 71643 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C10H14N2O4S 0.0190736 N-(3-hydroxy-butanoyl)-homoserine lactone 232.0823388 1.57935 LMFA08030029 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.9 0.0 M+FA-H C8H13NO4 -1.721226241 Catechin 579.1477393 1.57935 HMDB0002780 Phenylpropanoids and polyketides Flavonoids Flavans 3 C06562 37.9 0.0 2M-H C15H14O6 -5.275528588 Diamidafos 181.0531846 1.699116667 72786 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H2O-H C8H13N2O2P -2.192273018 (S)-3-Sulfolactate 214.9868569 1.699116667 69074 Organic acids and derivatives Hydroxy acids and derivatives Alpha hydroxy acids and derivatives 2 C11499 37.9 0.0 M+FA-H C3H6O6S 0.853608814 Australine 188.0920667 1.75015 68139 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H C8H15NO4 -4.044529844 3-Indoxyl phosphate 258.0174997 1.869 103478 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C8H8NO4P 0.950463721 Sedoheptulose 1,7-bisphosphate 350.9889003 10.37965 156 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00447 37.9 0.0 M-H2O-H C7H16O13P2 0.344927291 {4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6-dihydroxyphenyl}oxidanesulfonic acid 519.0256723 10.57776667 HMDB0141556 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.9 5.62 M-H2O-H C22H18O14S 3.321607799 Coenzyme Q4 499.3072585 10.8282 3909 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 1 Unclassified 37.9 0.0 M+FA-H C29H42O4 1.641557093 4-Isopropyl-3-cyclohexene-1-carboxylic acid 335.2231751 10.86175 92143 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.9 0.0 2M-H C10H16O2 1.166057142 UDP-4-dehydro-6-deoxy-D-glucose 593.0432639 10.9787 62919 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine nucleotide sugars 2 C04089 37.9 0.0 M+FA-H C15H22N2O16P2 1.104207353 Isofenphos 390.1145265 11.06006667 68762 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified C11002 37.9 0.0 M+FA-H C15H24NO4PS -0.122472585 N-(9,12-octadecadienoyl)-glutamic acid 454.2814087 11.11996667 LMFA08020217 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.9 0.0 M+FA-H C23H39NO5 0.934401645 trans-Dec-2-enoic acid 339.2542145 12.07761667 HMDB0010726 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.9 0.0 2M-H C10H18O2 0.385989694 trans-Cinnamic acid 147.0440286 2.0037 HMDB0000930 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acids 3 C10438 37.9 0.0 M-H C9H8O2 -7.594826051 Alexine 188.0920702 2.378183333 68133 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H C8H15NO4 -4.026060281 1,6-Anhydro-N-acetyl-beta-muramate 274.0934693 2.412116667 73346 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H C11H17NO7 0.886232687 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline 236.056095 2.6829 66505 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C10H9NO3 -1.837168735 Aspartame 339.1199453 4.222283333 HMDB0001894 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C11045 37.9 0.0 M+FA-H C14H18N2O5 0.58050139 Diethyl methylsuccinate 233.1027622 4.325166667 HMDB0059814 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+FA-H C9H16O4 -1.593194087 CAY10503 259.0760427 4.393816667 64659 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H2O-H C18H14O3 -1.475999313 Gorgostane skeleton 823.8094265 4.393816667 57745 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C30H52 3.515416732 Valyl-Histidine 299.1360722 4.445533333 86021 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M+FA-H C11H18N4O3 -0.0833071 N-gamma-Glutamyl-S-(1-propenyl)cysteine 335.0920173 4.497216667 93225 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M+FA-H C11H18N2O5S 0.59213965 Benzthiazuron 413.0842517 4.531583333 72806 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C9H9N3OS -4.196525987 Oxidized Oplophorus luciferin 410.149293 4.565966667 70532 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H C25H21N3O3 -4.188534017 6-(Pentylthio)purine 443.1789629 4.583133333 70204 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C10H14N4S -3.592226509 cyclo-Dopa 5-O-glucoside 402.104513 4.652083333 64475 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C15H19NO9 0.920995406 N,N-Dihydroxy-L-phenylalanine 242.0670136 4.686483333 73313 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C9H11NO4 0.014631606 Indole-3-acetic-acid-O-glucuronide 396.0940999 4.7208 HMDB0060001 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.9 0.0 M+FA-H C16H17NO8 1.368599024 Mytilitol 175.0603718 4.7379 89550 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 1 Unclassified 37.9 0.0 M-H2O-H C7H14O6 -4.252085964 Nordracorubin 519.1445487 4.7379 85124 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C31H22O5 -0.797243733 Glycyl-Hydroxyproline 187.0717654 4.754983333 HMDB0028842 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 M-H C7H12N2O4 -3.535953352 ACETYLTRYPTOPHANAMIDE 290.1150963 4.754983333 44265 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C13H15N3O2 1.903975625 Beta-1,4-mannose-N-acetylglucosamine 364.1257821 4.806216667 58450 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H2O-H C14H25NO11 2.251456694 Kinamycin D 435.0813068 4.872816667 63772 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H2O-H C22H18N2O9 -4.585351958 Propyl 2-furanacrylate 225.0765218 4.955766667 LMFA07011002 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+FA-H C10H12O3 -1.806407158 SP 600125 219.0566993 4.972966667 45266 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 1.45 M-H, 2M-H C14H8N2O 1.421418572 3,4-dimethyl-5-carboxyethyl-2-furanbutanoic acid 299.1141492 5.006433333 LMFA01150053 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.9 0.0 M+FA-H C13H18O5 2.056703346 2-Propylisonicotinic acid 210.0767103 5.1603 2183 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C9H11NO2 -2.854192322 Cyclodopa glucoside 402.1046564 5.194383333 HMDB0029833 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.9 0.0 M+FA-H C15H19NO9 1.322718592 Vaccinoside 581.15229 5.2635 HMDB0034733 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.9 0.0 M+FA-H C25H28O13 2.044589625 LPIM1(17:0/0:0) 793.3653355 5.28065 LMGP15040002 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositolglycans Unclassified Unclassified 37.9 0.0 M+FA-H C32H61O17P 3.334629988 4-Acetylimidazo[4,5-c]pyridine 321.1091895 5.315033333 HMDB0034888 Organoheterocyclic compounds Imidazopyridines Imidazo-[4,5-c]pyridines Unclassified Unclassified 37.9 0.0 2M-H C8H7N3O -4.215049957 3,4,5-trihydroxy-6-(2-methyl-3-phenylpropoxy)oxane-2-carboxylic acid 651.2684139 5.395966667 HMDB0133673 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.9 0.0 2M-H C16H22O7 3.961867862 2,3,4-Trioxycyclopentanone 571.3105801 5.479133333 69403 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C14H26O4Si -3.870508089 3-METHYLCHOLANTHRENE 267.1186306 5.495933333 44182 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H C21H16 2.634930401 HAEMATOMMIC ACID 195.0292639 5.512683333 44619 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H C9H8O5 -3.228894987 2,4-Diaminoanisole 275.1503513 5.512683333 72941 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C7H10N2O -3.614568499 3,4-Diethylthiophene 279.1240203 5.52985 HMDB0040236 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 37.9 0.0 2M-H C8H12S -2.306119328 1-Benzylimidazole 203.0820459 5.546283333 63058 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C10H10N2 -3.512969531 16-Epivellosimine 583.3106146 5.579683333 64338 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C19H20N2O 4.731212549 (S)-HDAC-42 311.1408581 5.596366667 45513 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H C18H20N2O3 2.377075717 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline 192.0659306 5.629433333 66506 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H C10H11NO3 -3.553887233 5-Androstene-3b,16b,17a-triol 351.2182425 5.679016667 5508 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 37.9 0.0 M+FA-H C19H30O3 1.779298639 1,2,3,4-Tetrahydro-6-propanoylpyridine 323.1978288 5.696233333 90272 Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Unclassified Unclassified 37.9 0.0 M+FA-H C16H26N2O2 0.711297915 Diethyl glutarate 375.2029103 5.696233333 HMDB0059879 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 2M-H C9H16O4 1.245981823 Methylgingerol 353.1974524 5.712733333 HMDB0029852 Benzenoids Benzene and substituted derivatives Methoxybenzenes Unclassified Unclassified 37.9 0.0 M+FA-H C18H28O4 1.590516698 Gibberellin A59 405.119724 5.847766667 90406 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.9 0.0 M+FA-H C19H20O7 1.716492465 (2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate 239.1287402 5.864966667 91031 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.9 0.0 M+FA-H C12H18O2 -0.73375979 Ketosantalic acid 295.1552675 5.882233333 90658 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.9 0.0 M+FA-H C15H22O3 0.679746834 LysoPC(14:0/0:0) 466.2926904 5.9164 HMDB0010379 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines 1 Unclassified 37.9 0.0 M-H C22H46NO7P -2.616340726 Glycochenodeoxycholate-3-sulfate 528.2641539 5.95035 HMDB0002497 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 3 Unclassified 37.9 0.0 M-H C26H43NO8S 0.929629671 4'-Geranyloxy-4,2'-dihydroxychalcone 783.3872486 5.9849 LMPK12120052 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C25H28O4 -3.81653011 Petunidin 3-(6''-acetylglucoside) 565.1205047 6.01945 47123 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C24H24O13 1.17471803 N-Methylanthranilamide 299.1501582 6.0703 71746 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C8H10N2O -3.968911277 Lipoyl-AMP 580.095029 6.134933333 HMDB0059635 Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides 2 C16238 37.9 1.2 M+FA-H C18H26N5O8PS2 1.466483577 Tetracaine N-oxide 261.1609251 6.293183333 2808 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H2O-H C15H24N2O3 0.262777074 Carbazole 333.138259 6.309916667 66794 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C12H9N -4.37877269 5,6-Epoxy-8,11,14-eicosatrienoic acid 365.2334555 6.32685 HMDB0002190 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C14768 37.9 0.0 M+FA-H C20H32O3 0.336547576 SB 218655 354.1383458 6.395766667 69961 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C17H16FN5 3.781893641 Macrophorin D 485.2526316 6.430283333 HMDB0029618 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.9 0.0 M-H2O-H C28H40O8 -3.659716409 12-oxo-9(Z)-dodecenoic acid 257.139474 6.464716667 35852 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C12H20O3 0.125466689 Tetrahomomethionine 250.1118405 6.584316667 64504 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C9H19NO2S -0.059542444 Sebacic acid 403.2342099 6.618816667 LMFA01170006 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified C08277 37.9 0.0 2M-H C10H18O4 1.15831855 Granisetron metabolite 1 343.1765103 6.653383333 3143 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H, M+FA-H C18H24N4O3 -3.062206699 Dihydropanaxacol 325.2022142 6.870083333 LMFA05000651 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.9 0.0 M+FA-H C17H28O3 0.594431079 Dulciol B 445.2005316 7.10455 HMDB0029989 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 37.9 0.0 M-H2O-H C28H32O6 -3.265809156 (+/-)-Isobutyl 3-methylthiobutyrate 235.1007069 7.17355 LMFA07010696 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+FA-H C9H18O2S -1.298323311 2,4,6,8-Tridecatetrayne 213.0915727 7.343833333 87294 Hydrocarbons Unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Unclassified Unclassified 37.9 0.0 M+FA-H C13H12 -3.156338029 gamma-Glutamylarginine 605.3016951 7.37805 HMDB0029143 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.9 0.0 2M-H C11H21N5O5 0.715707032 Tiletamine 445.2003489 7.394866667 43352 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C12H17NOS 3.260732263 Mycalamide A 484.2555929 7.394866667 71498 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M-H2O-H C24H41NO10 0.769939071 Decylubiquinol 369.2285309 7.497233333 70946 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C19H32O4 0.828338303 2-Phenylethyl octanoate 293.1761165 7.51425 92542 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+FA-H C16H24O2 1.14280275 Disodium succinate 206.9879471 7.615333333 92097 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C4H4Na2O4 -4.648316254 16R-HETE 365.2334489 7.81155 36321 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14778 37.9 0.0 M+FA-H C20H32O3 0.315906796 Isobutyl angelate 311.2230193 7.877983333 92471 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 2M-H C9H16O2 0.756634267 3-PINANONE OXIME 333.2552435 8.110383333 44479 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 2M-H C10H17NO 1.470737799 8S-HETE 365.2334566 8.143833333 LMFA03060006 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14776 37.9 0.0 M+FA-H C20H32O3 0.339745417 Obtusilic acid 339.2541786 8.245533333 LMFA01030031 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.9 0.0 2M-H C10H18O2 0.280417377 Ethyl (2E,4Z,7Z)-Decatrienoate 239.1286818 8.2795 90673 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.9 0.0 M+FA-H C12H18O2 -1.034579029 Eupatoroxin 437.1456704 8.296233333 67701 Unclassified Unclassified Unclassified Unclassified Unclassified 37.9 0.0 M+FA-H C20H24O8 0.891929943 1-O-(2R-methoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenyl)-sn-glycerol 465.3218342 8.545833333 LMGL01020045 Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Unclassified Unclassified 37.9 0.0 M+FA-H C26H44O4 -0.781661387 3-Methylbutyl 3-oxobutanoate 325.202214 8.789666667 91538 Organic acids and derivatives Keto acids and derivatives Beta-keto acids and derivatives Unclassified Unclassified 37.9 0.0 M-H2O-H, M-H C18H32O6 0.483337475 2,3-Dimethyl-5-propylpyrazine 299.2229128 9.651383333 HMDB0039996 Organoheterocyclic compounds Diazines Pyrazines 1 Unclassified 37.9 0.0 2M-H C9H14N2 -4.022536339 LysoPE(0:0/20:0) 554.3485181 9.700816667 62269 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 37.9 0.0 M+FA-H C25H52NO7P 4.271301874 alpha-Terpineol butanoate 269.1760661 9.95385 88149 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.9 0.0 M+FA-H C14H24O2 1.040542945 2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile 263.0973487 0.640766667 70577 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H2O-H C20H14N2 -1.803094768 1,7-Dimethylguanosine 310.1141415 0.654816667 HMDB0001961 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified Unclassified 37.8 0.0 M-H C12H17N5O5 -4.984464184 Serinyl-Aspartate 201.0509036 0.668933333 85928 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M-H2O-H, M-H C7H12N2O6 -3.596133275 D-altro-D-manno-Heptose 255.0724757 0.682916667 HMDB0029952 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C06397 37.8 0.0 M+FA-H C7H14O7 1.523456072 D-Galactose 6-sulfate 259.0129089 0.682916667 65557 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H C6H12O9S -0.06768668 19-Hydroxy-8-O-methyltetrangulol 379.0826041 0.682916667 63758 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C20H14O5 0.831297346 4-O-Methylgalactinol 401.1304708 0.682916667 HMDB0033558 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.8 0.0 M+FA-H C13H24O11 1.141052193 S-ethyl N-[4-(trifluoromethyl)phenyl] Isothiourea 495.1125306 0.682916667 64868 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 2M-H C10H11F3N2S 1.610561562 1,1'-Bis(2-hydroxy-3-methylcarbazole) 373.1360673 0.724833333 HMDB0040776 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 37.8 0.0 M-H2O-H C26H20N2O2 3.647775863 Anthopleurine 222.0979144 0.752666667 71488 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C7H15NO4 -2.238670019 D-Mycinose 237.0977712 0.781 69246 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C8H16O5 -1.068626764 Lactosamine 322.1146142 0.781 HMDB0006591 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 2 C00203 37.8 0.0 M-H2O-H, M+FA-H C12H23NO10 0.760300788 Phenol-formaldehyde, cross-linked, triethylenetetramine activated 315.2040932 1.008516667 88482 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C13H26N4O2 1.163128175 N,N-Dihydroxy-L-tyrosine 258.0620546 1.0224 63627 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C9H11NO5 0.606963785 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate 346.0642755 1.120283333 64554 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C7H16N3O8P -4.744840321 L-2-Amino-6-oxoheptanedioate 377.1184012 1.120283333 63451 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 2M-H C7H11NO5 -4.673687359 D-2-Hydroxyglutaric acid 147.0288188 1.152566667 HMDB0000606 Organic acids and derivatives Hydroxy acids and derivatives Short-chain hydroxy acids and derivatives 3 C01087 37.8 0.0 M-H C5H8O5 -7.282783127 Arginyl-Isoleucine 286.1887717 1.152566667 HMDB0028712 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M-H C12H25N5O3 1.074164634 d[-Arg-2]KYOTORPHAN 382.1734775 1.152566667 43911 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C15H23N5O4 0.801790536 S-Methyl 3-methylthiobutyrate 131.0531077 1.203633333 94391 Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters 1 Unclassified 37.8 0.0 M-H C6H12OS -3.800602809 cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol 363.107293 1.271983333 63530 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H, 2M-H C9H10O4 -1.715180425 Clavulanate-9-aldehyde 196.0244642 1.271983333 64562 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H C8H7NO5 -3.459636564 gamma-Glutamyllysine 274.1411402 1.408 HMDB0029154 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M-H C11H21N3O5 1.075246522 O-methylmalonyl-L-carnitine 306.1197897 1.408 HMDB0062785 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.8 0.0 M+FA-H C11H19NO6 1.3384 Istamycin B 434.2623272 1.476633333 71987 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C17H35N5O5 0.78373272 (2R)-1-O-beta-D-Galactopyranosylglycerol 235.0821883 1.545133333 HMDB0038664 Lipids and lipid-like molecules Glycerolipids Glycosylglycerols 1 Unclassified 37.8 0.0 M-H2O-H C9H18O8 -0.543350895 Quinol glucuronide 331.0675574 1.73295 1827 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C12H14O8 1.702834801 Iprobenfos 269.0782147 1.801016667 70711 Benzenoids Benzene and substituted derivatives Unclassified Unclassified C15230 37.8 0.0 M-H2O-H C13H21O3PS 4.004403872 Mono-N-depropylprobenecid 288.0550117 1.834966667 2091 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C10H13NO4S 1.151679595 1-(3-Aminopropyl)-4-aminobutanal 287.2444777 1.935616667 62806 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.8 0.0 2M-H C7H16N2O -2.678690273 Agaritine 312.1203959 1.9526 65610 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C12H17N3O4 1.074353634 (E,E)-2,4-Hexadienal 191.1070501 10.36321667 90165 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 Unclassified 37.8 0.0 2M-H C6H8O -3.660302311 5Z-Octenyl acetate 339.2542109 10.71218333 86219 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.8 0.0 2M-H C10H18O2 0.375399148 Dodecan-2-one 229.180626 11.0114 LMFA12000163 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified C14996 37.8 0.436 M+FA-H C12H24O -1.586843262 Santene hydrate 279.2333025 11.0114 HMDB0037001 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.8 0.0 2M-H C9H16O 1.244159969 UDP-L-Ara4O 579.0272816 11.09066667 63217 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C14H20N2O16P2 0.511036767 7b-Hydroxy-3-oxo-5b-cholanoic acid 803.5455678 11.11996667 HMDB0000541 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.8 0.0 2M-H C25H38O4 -1.460678529 Flubendiamide 681.0178316 11.5312 72326 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H C23H22F7IN2O4S 2.616182562 3-Hydroxy-4-methoxymandelate 179.0341164 2.5139 HMDB0029170 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.8 0.0 M-H2O-H C9H10O5 -4.37223097 2-(Ethylsulfinylmethyl)phenyl methylcarbamate 286.0756449 2.939133333 94814 Benzenoids Benzene and substituted derivatives Phenyl methylcarbamates Unclassified Unclassified 37.8 0.0 M+FA-H C11H15NO3S 0.736896262 Sinapyl aldehyde 253.0716252 3.0243 44806 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C11H12O4 -0.655954151 2-[(7-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid 262.0356986 3.0243 HMDB0128639 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M-H C12H9NO6 -0.045566961 URB754 531.2060569 3.827983333 45070 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 2M-H C16H14N2O2 4.280079333 Methionyl-Methionine 279.0847937 4.119383333 HMDB0028979 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 5.41 M-H C10H20N2O3S2 1.912136483 Edulitine 250.0719706 4.2563 HMDB0030179 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Unclassified Unclassified 37.8 0.0 M+FA-H C11H11NO3 -0.612119504 Asulam 229.0287166 4.342416667 72170 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H C8H10N2O4S -0.585831177 vesnarinone 789.3647848 4.376566667 96223 Organoheterocyclic compounds Diazinanes Piperazines Unclassified Unclassified 37.8 0.0 2M-H C22H25N3O4 3.857256088 Sparfloxacin 437.1660386 4.393816667 HMDB0015339 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids 2 C07662 37.8 0.0 M+FA-H C19H22F2N4O3 4.688636558 3-(3,4-Dihydroxyphenyl)lactic acid 243.0509527 4.445533333 HMDB0003503 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified C01207 37.8 0.0 M+FA-H C9H10O5 -0.371672709 lipoamide 409.1113905 4.565966667 LMFA08010006 Organoheterocyclic compounds Dithiolanes Lipoamides 1 C00248 37.8 0.0 2M-H C8H15NOS2 -0.841905973 Nonanedioic acid 169.086111 4.652083333 5750 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified C08261 37.8 0.0 M-H2O-H, M+FA-H C9H16O4 -4.82108573 (R)-2-Methylimino-1-phenylpropan-1-ol 208.0973944 4.652083333 63538 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C10H13NO -3.203698317 Nonanoic acid, 8-hydroxy-, (R)-; (-)-(R)-8-Hydroxynonanoic acid 219.1233798 4.652083333 74639 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C9H18O3 -2.397532396 Spermic acid 2 231.1348167 4.686483333 HMDB0013075 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M-H C10H20N2O4 -0.921727925 (S)-Argpyrimidine 299.1361728 4.686483333 92148 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.8 0.0 M+FA-H C11H18N4O3 0.312540494 2(N)-Methyl-norsalsolinol 224.0924518 4.8565 58029 Organoheterocyclic compounds Tetrahydroisoquinolines Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C10H13NO2 -2.120486072 PC(O-4:0/0:0)[U] 358.1622684 4.8565 40393 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C12H28NO6P -4.338600482 2-Pyridyl hydroxymethane sulfonic acid 169.9908602 4.9385 68992 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H2O-H C6H7NO4S -4.641919314 Mesuagin 389.1389335 4.9385 LMPK12100030 Phenylpropanoids and polyketides Neoflavonoids Prenylated neoflavonoids Unclassified Unclassified 37.8 0.0 M-H C24H22O5 -1.317162025 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone 3-alpha-L-arabinopyranoside 539.105061 5.023283333 51735 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C22H22O13 1.654206905 2-(1-Methylpropyl)thiazole 281.1146912 5.05715 92108 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 37.8 0.0 2M-H C7H11NS -1.676944557 1-hydroxy-5-(4-methoxyphenyl)pentan-3-one 253.1082659 5.07435 HMDB0132982 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.8 0.0 M+FA-H C12H16O3 0.570289933 Hygrine 186.1128711 5.1259 3268 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C8H15NO -4.931496628 2,5-Dihydrophenylalanine 212.0924033 5.1775 66879 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C9H13NO2 -2.562827555 Physostigmine 320.1618212 5.211683333 1934 Organoheterocyclic compounds Indoles and derivatives Pyrroloindoles Unclassified C06535 37.8 0.0 M+FA-H C15H21N3O2 0.877245295 5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid 243.0871249 5.228883333 3804 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C10H14O4 -1.448423592 Taxiphyllin 292.0831041 5.315033333 HMDB0030704 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 1 C01855 37.8 0.0 M-H2O-H C14H17NO7 1.425031711 Luteolin 3',4'-diglucuronide 681.1320311 5.363316667 LMPK12110676 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.8 0.0 M+FA-H C28H28O17 1.853078533 3,6-dioxo-decanoic acid 245.1029827 5.412316667 LMFA01060079 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.8 0.0 M+FA-H C10H16O4 -0.395814159 Dinocton 6 335.1251262 5.512683333 72683 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H2O-H C16H22N2O7 0.751750087 9alpha-Fluoro-6alpha-methylprednisolone 21-acetate 479.2075633 5.52985 70214 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C24H31FO6 -2.54834718 Metolcarb 210.0766596 5.546283333 72521 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C9H11NO2 -3.161142912 Ethacrynic acid M1 354.1023997 5.546283333 2585 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H C16H21NO6S 2.021277607 3-Hydroxyquinaldic acid 188.0346 5.562866667 72415 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H C10H7NO3 -3.791048685 Pelargonidin 3-gentiobioside 639.1576949 5.562866667 46786 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C27H30O15 1.719774354 RUTILANTINONE 473.1094844 5.579683333 43848 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C22H20O9 1.283039215 Hydroxyoctanoic acid 205.1075907 5.6454 HMDB0000711 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.8 0.0 M+FA-H C8H16O3 -3.476072505 IRIDIN 567.136223 5.661866667 43629 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C24H26O13 1.300938135 2-(4-Methyl-5-thiazolyl)ethyl hexanoate 286.1121547 5.696233333 88445 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 37.8 0.0 M+FA-H C12H19NO2S 1.252620827 Ulexone B 383.1285239 5.95035 LMPK12050212 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.8 0.05 M-H2O-H C25H22O5 -0.892211628 5-Androstene-3b,16a,17a-triol 351.2180992 5.9849 HMDB0000540 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 37.8 0.0 M+FA-H C19H30O3 1.311110554 Chrysoeriol 7-(2'''-feruloylglucuronosyl)-(1->2)-glucuronide 827.1692406 6.002183333 LMPK12110793 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides 1 Unclassified 37.8 0.0 M-H C38H36O21 1.942680879 6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine 267.160393 6.167316667 92116 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 37.8 0.0 2M-H C8H10N2 -4.20324295 6,7,3'-Trimethoxy-4',5'-methylenedioxyisoflavone 401.0881 6.229033333 47635 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C19H16O7 0.826327494 3-Deoxy-D-manno-octulosonate 237.0613808 6.361283333 63650 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H C8H14O8 -0.882994811 Heliamine 238.1082834 6.395766667 67718 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C11H15NO2 -1.026190452 (4R)-7-Hydroxy-4-isopropenyl-7-methyl-2-oxo-oxepanone 229.1078036 6.430283333 72826 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C10H16O3 -1.866446238 Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl] 528.2640546 6.48195 6692 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H C26H43NO8S 0.741867372 4-(1-hydroxy-2-(methylamino)ethyl)phenol 212.0923095 6.515633333 24111 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C9H13NO2 -3.124109631 10-hydroxy-11-dodecenoic acid 259.1551877 6.584316667 74547 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.8 0.0 M+FA-H C12H22O3 0.421303101 (-)-Ormosanine 362.2817307 6.63605 68570 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C20H35N3 1.354147521 11(R)-HETE 365.233429 6.9526 36337 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14780 37.8 0.0 M+FA-H C20H32O3 0.253804052 13-(beta-D-glucosyloxy)docosanoic acid 563.3817769 7.139083333 LMFA13010054 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 37.8 0.0 M+FA-H C28H54O8 3.289676731 3-Methyl-5-propyl-2-furannonanoic acid 325.2022333 7.480366667 HMDB0094642 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.8 0.0 M+FA-H C17H28O3 0.662471065 Ptilosteroid C 429.195474 7.480366667 LMST02030214 Lipids and lipid-like molecules Sterol Lipids Steroids Unclassified Unclassified 37.8 1.16 M-H C21H34O7S 0.525439219 Pisumsaponin I 1073.51854 7.598666667 93040 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.8 0.0 M+FA-H C51H80O21 1.096607262 (2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-carboxylate 581.2523237 8.0772 65472 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 2M-H C16H21NO2S 1.718039718 PG-PA 523.2667981 8.126933333 LMGP20070016 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 37.8 0.155 M-H C24H45O10P -1.830596657 Prostaglandin E2 ethanolamide 440.2656827 8.143833333 HMDB0013038 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 37.8 0.0 M+FA-H C22H37NO5 0.775609306 Isopropyl apiosylglucoside 399.1484145 8.640516667 HMDB0041513 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 Unclassified 37.8 0.0 M+FA-H C14H26O10 -6.735466841 N-hexanoyl-L-Homoserine lactone-d3 403.2703453 8.74035 96402 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 2M-H C10H14D3NO3 -4.26819721 MG(0:0/20:3(11Z,14Z,17Z)/0:0) 425.2912095 8.74035 62329 Lipids and lipid-like molecules Endocannabinoids Unclassified 1 Unclassified 37.8 0.0 M+FA-H C23H40O4 0.912212429 Isobutyl 10-undecenoate 285.2073447 8.9835 LMFA07010914 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.8 0.0 M+FA-H C15H28O2 0.881357274 4-Heptyloxyphenol 253.1444892 8.998666667 69898 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M+FA-H C13H20O2 -0.209430171 16-a-Hydroxypregnenolone 377.2336891 9.765216667 HMDB0000315 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids 1 C06390 37.8 0.0 M+FA-H C21H32O3 1.027284753 1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-phenyl-, cis- glucuronide 492.2585028 9.808916667 2123 Unclassified Unclassified Unclassified Unclassified Unclassified 37.8 0.0 M-H C26H39NO8 -3.624698496 3-Hydroxymethylglutaric acid 207.0504007 0.220633333 HMDB0000355 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 3 C03761 37.7 0.0 M+FA-H C6H10O5 -3.860143822 Glycyl-Lysine 202.1190712 0.598866667 HMDB0028846 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M-H C8H17N3O3 -3.169524459 alpha-D-Galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->4)-D-galacturonic acid 527.0892126 0.626733333 HMDB0039751 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.7 0.0 M-H2O-H C18H26O19 0.412186677 4-Methylbenzoic acid 181.050297 0.640766667 HMDB0029635 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C01454 37.7 0.0 M+FA-H C8H8O2 -2.464865727 3,4-Dehydrothiomorpholine-3-carboxylate 126.0018564 0.668933333 66183 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H2O-H, 2M-H C5H7NO2S -0.358301092 V-PYRRO/NO 202.0825743 0.668933333 62984 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C6H11N3O2 -4.807626378 (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid 393.098302 0.696866667 51703 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H2O-H, M+FA-H C22H20O8 0.789763298 bis(4-fluorophenyl)-Methanone 199.0371167 0.752666667 2735 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H2O-H C13H8F2O 2.919107957 N-Succinyl-L-glutamate 5-semialdehyde 276.0726807 0.781 5063 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05932 37.7 0.0 M+FA-H C9H13NO6 0.825236697 5-Methylthioribose 225.0435491 1.008516667 5995 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C03089 37.7 0.0 M+FA-H C6H12O4S -1.575120409 (2S)-2-amino-3-[4-hydroxy-3-(sulfooxy)phenyl]-2-methylpropanoic acid 290.0343307 1.05315 HMDB0142153 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.7 0.0 M-H C10H13NO7S 1.149001077 Desglymidodrine 242.1034126 1.070166667 HMDB0060558 Benzenoids Benzene and substituted derivatives Methoxybenzenes Unclassified Unclassified 37.7 0.0 M+FA-H C10H15NO3 0.082963408 Tussilagine 244.1189889 1.1036 68315 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C10H17NO3 -0.288182306 gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide 305.0818018 1.120283333 HMDB0031870 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M-H C11H18N2O6S 1.701762421 Diaminopimelic acid 189.0873357 1.152566667 HMDB0001370 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C00666 37.7 0.0 M-H C7H14N2O4 -3.917947212 Alanyl-Histidine 271.1049909 1.254816667 HMDB0028689 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+FA-H C9H14N4O3 0.874515238 Threoninyl-Histidine 301.1153886 1.271983333 85956 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+FA-H C10H16N4O4 0.119843205 Methionyl-Threonine 249.0917119 1.288883333 85885 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M-H C9H18N2O4S 1.040835885 BENZANTHRONE 275.0713966 1.408 44054 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C17H10O 0.125057476 2-(2,3,4-trihydroxyphenyl)acetic acid 229.0350698 1.425116667 HMDB0130407 Benzenoids Benzene and substituted derivatives Phenylacetic acids Unclassified Unclassified 37.7 0.0 M+FA-H C8H8O5 -1.664837559 2-Methacryloyloxyethyl phenyl phosphate 285.053215 1.44235 70908 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H C12H15O6P -0.466259008 S-(2-Hydroxyethyl)glutathione 350.1025854 1.45945 HMDB0062525 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C14875 37.7 0.0 M-H C12H21N3O7S -0.453275594 Actinamine 187.1080254 1.52805 71786 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H2O-H C8H18N2O4 -3.83502313 Y-27632 (hydrochloride) 292.1669328 1.52805 44907 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C14H21N3O 1.082791636 Fluoranthene 403.1472425 1.52805 73126 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C16H10 -4.903363678 PC(O-1:0/2:0)[U] 358.1258263 1.648083333 40035 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C11H24NO7P -4.519788693 Phenylalanyl-Gamma-glutamate 292.1307133 1.6648 85907 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M-H C14H19N3O4 1.479342528 4'-(DIMETHYLAMINO)AZOXYBENZENE N-OXIDE 449.2443365 10.00316667 24046 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C14H15N3 -3.513798751 Tetranor-PGE1 595.3509456 10.09958333 LMFA03010211 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 6.41 2M-H C16H26O5 3.645683605 (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione 469.2963553 10.41206667 HMDB0035970 Lipids and lipid-like molecules Steroids and steroid derivatives Oxosteroids 1 Unclassified 37.7 0.0 M-H, M+FA-H C29H42O5 0.866053584 8-Hydroxycarvotanacetone 335.2231645 10.44486667 265099 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C10H16O2 1.134498072 O-BENZYL-l-SERINE 194.0816033 10.62818333 44267 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H C10H13NO3 -3.401165478 N-Butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 381.2271037 10.76183333 70817 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C9H13N5 0.495194194 S-Acetyl dihydroasparagusic acid 387.0076347 10.76183333 90974 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.7 0.0 2M-H C6H10O3S2 1.646235064 gamma-tocotrienol 455.3172569 10.8282 LMPR02020057 Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids 2 C14155 37.7 0.0 M+FA-H C28H42O2 1.397664167 docusate 421.2269433 15.64268333 4003 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H C20H38O7S 0.935839874 Clavamycin A 413.1317233 2.58155 66480 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H C16H22N4O9 0.776186036 1,2-Epoxy-3-(p-Nitrophenoxy)propane 240.05118 2.6829 66149 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C9H9NO4 -0.926198273 cis-2,3-Dihydroxy-2,3-dihydro-p-cumate 243.0872065 3.3833 66436 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C10H14O4 -1.036492397 Caffeic acid 4-O-glucuronide 355.0673557 4.119383333 HMDB0041707 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.7 0.0 M-H C15H16O10 0.801693615 Pyriminobac-methyl 406.1259638 4.170866667 72292 Organic oxygen compounds Organooxygen compounds Ethers Unclassified C18486 37.7 0.0 M+FA-H C17H19N3O6 1.039933398 2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone 507.2616341 4.273483333 92122 Organosulfur compounds Thioethers Aryl thioethers Unclassified Unclassified 37.7 0.0 2M-H C14H22O2S 1.591018039 Benzo[c]fluorene 431.1787494 4.376566667 73050 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C17H12 -4.106798205 (2-oxoethoxy)sulfonic acid 278.9497813 4.497216667 HMDB0142001 Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters Unclassified Unclassified 37.7 0.0 2M-H C2H4O5S 4.176639899 Furamizole 287.0425205 4.548783333 69954 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H C12H8N4O5 1.137209466 OKOOA-PG 707.3381864 4.6004 LMGP20060029 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 37.7 0.0 M+FA-H C32H55O12P -4.7260431 5-hydroxy saxagliptin 376.1881791 4.652083333 HMDB0061099 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.7 0.0 M+FA-H C18H25N3O3 1.161043122 10-Deoxygeniposidic acid 357.1206596 4.66925 64051 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H C16H22O9 4.338620276 gibberellin A2 O-beta-D-glucoside 557.2090186 4.7208 LMPR0104170037 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 37.7 2.23 M-H, M+FA-H C25H36O11 -4.079527574 FAD 784.1513772 4.7208 HMDB0001248 Nucleosides, nucleotides, and analogues Flavin nucleotides Unclassified 3 C00016 37.7 0.0 M-H C27H33N9O15P2 1.934639393 2-O-Benzoyl-D-glucose 329.0884555 4.754983333 HMDB0034618 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.7 0.0 M+FA-H C13H16O7 2.287355811 2,6-Dimethoxyphenol 199.0605923 4.772233333 68578 Benzenoids Phenols Methoxyphenols Unclassified C10787 37.7 0.0 M+FA-H C8H10O3 -3.925099074 3-(4'-Methylthio)butylmalic acid 281.0704292 4.772233333 64498 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C9H16O5S 1.616763321 Felbamate 283.0935913 4.789466667 HMDB0015084 Benzenoids Benzene and substituted derivatives Unclassified 2 C07501 37.7 0.0 M+FA-H C11H14N2O4 0.132242453 2,4,6-Triethyl-1,3,5-trioxane 219.1233539 4.888816667 HMDB0034040 Organoheterocyclic compounds Trioxanes Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C9H18O3 -2.546581876 2-(4-Methyl-5-thiazolyl)ethyl propionate 244.0649065 5.211683333 HMDB0032424 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 37.7 0.0 M+FA-H C9H13NO2S 0.019984299 PS(13:0/18:4(6Z,9Z,12Z,15Z)) 758.4218549 5.211683333 77745 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 37.7 0.0 M+FA-H C37H64NO10P -4.389835816 2-(5'-Methylthio)pentylmalic acid 295.0860269 5.228883333 64501 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C10H18O5S 1.316839627 Maleylacetoacetic acid 181.0136486 5.28065 45932 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives 2 C01036 37.7 0.0 M-H2O-H C8H8O6 -2.990661471 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate 227.0922097 5.28065 66598 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C10H14O3 -1.578466268 2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite 226.1081879 5.315033333 2754 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C10H15NO2 -1.621645271 Assafoetidin 763.4194317 5.315033333 HMDB0033543 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.7 0.0 2M-H C24H30O4 -2.761208824 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside 448.1102326 5.331016667 92407 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.7 0.0 M+FA-H C16H21NO11 1.412045208 3-Isopropylcatechol 197.0812463 5.495933333 65552 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C9H12O2 -4.511879049 DIBENZOTHIOPHENE 229.0329493 5.495933333 44161 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C12H8S 0.408548677 Sinapoyltartronate 651.1213712 5.52985 65825 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C14H14O9 1.661631258 PS(18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 784.4587919 5.562866667 HMDB0112476 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines 1 Unclassified 37.7 7.02 M-H2O-H C44H70NO10P 3.607967705 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone 252.0989731 5.6128 HMDB0011603 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 2 C16453 37.7 0.0 M+FA-H C10H13N3O2 -0.031307347 Thiamylal 507.2098019 5.6454 66752 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07846 37.7 0.0 2M-H C12H18N2O2S -1.415316952 2-[(Isopropylthio)methyl]furan 311.1144243 5.661866667 HMDB0036181 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 37.7 0.0 2M-H C8H12OS -0.228240655 Cyanthoate 587.1529219 5.679016667 72733 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C10H19N2O4PS -0.733032432 2,3-Diketo-13,14-dihydro-PGF1a 365.1970624 5.696233333 2559 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H, M+FA-H C20H30O6 0.273517307 ACEPHATE 228.0095398 5.712733333 44455 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C4H10NO3PS -3.081214974 Hydroxymethoxyphenylcarboxylic acid-O-sulphate 295.0135553 5.729433333 HMDB0060000 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.7 0.0 M-H, M+FA-H C8H10O7S 2.743800565 5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan 389.1248879 5.746233333 LMPK12020269 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C19H20O6 2.024597863 2-Oxo-6-methylthiohexanoic acid 351.0942047 5.763166667 64495 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C7H12O3S 0.143948042 1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene 223.0608405 5.830633333 HMDB0062273 Benzenoids Tetralins Unclassified 2 C14784 37.7 0.0 M+FA-H C10H10O3 -2.002398408 Diflufenican 393.0658261 5.899483333 72354 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H C19H11F5N2O2 -2.451702919 4-methyl-n-(2-oxo-2,5,6,7-tetrahydro-1h-cyclopenta[b]pyridin-4-yl)benzenesulfonamide 607.1676597 5.899483333 96299 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C15H16N2O3S -2.28663921 Isopetasoside 441.2133172 5.933116667 86382 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.7 0.0 M+FA-H C21H32O7 0.784813453 Cyanidin 3-(6''-caffeylglucoside)-5-(6'''-malonylglucoside) 857.1794951 6.002183333 46930 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H C39H38O22 1.513272183 PIM1(18:0/18:1(9Z)) 1007.608586 6.118816667 LMGP15010019 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositolglycans Unclassified Unclassified 37.7 0.0 M-H2O-H C51H95O18P 0.803325197 [4-(4-methyl-3-oxopentyl)phenyl]oxidanesulfonic acid 317.0700922 6.118816667 HMDB0132963 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.7 0.0 M+FA-H C12H16O5S 0.164499865 MEPHENESIN 227.0921093 6.413016667 43479 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C10H14O3 -2.130332523 2,7-Dipropyl-1,6-dioxaspiro[4.4]nonane 257.1759323 6.430283333 102872 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C13H24O2 0.468807084 3-Epiecdysone 509.3122744 6.7381 64610 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C27H44O6 0.608309057 Levobunolol sulfate 352.1226007 6.820883333 935 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M-H2O-H C17H25NO6S 0.493851804 7a-Hydroxydehydroepiandrosterone 349.2022214 7.121783333 HMDB0004611 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C18045 37.7 0.0 M+FA-H C19H28O3 0.571192111 Geranyl hexanoate 297.2072683 7.139083333 86212 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.7 0.0 M+FA-H C16H28O2 0.536352897 Indole-3-acetaldehyde oxime 347.1505378 7.548516667 63562 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C10H10N2O -2.331262811 xi-Dihydro-5-octyl-2(3H)-furanone 243.1600333 7.6971 HMDB0031683 Organoheterocyclic compounds Lactones Gamma butyrolactones 1 Unclassified 37.7 0.0 M+FA-H C12H22O2 -0.754387092 methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate 369.2284995 7.944666667 LMFA01040038 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.7 0.0 M+FA-H C19H32O4 0.731393172 19-hydroxyandrost-4-ene-3,17-dione 347.1865694 7.9613 LMST02020067 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C05290 37.7 0.0 M+FA-H C19H26O3 0.568636268 Lysergic acid 313.1196507 8.044016667 66676 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C16H16N2O2 1.007130929 2-Methoxy-3-(2-methylpropyl)pyrazine 331.2128978 8.262566667 87979 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 37.7 0.0 2M-H C9H14N2O -3.166418364 4-Butyl-5-propylthiazole 365.2095207 8.262566667 94608 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 37.7 0.0 2M-H C10H17NS 1.245150668 3-Ethylethcathinone 409.286816 8.545833333 96613 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C13H19NO 1.861898601 8-Epiisoivangustin 293.1397227 8.60815 HMDB0035708 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.7 0.0 M+FA-H C15H20O3 1.109408043 Testosterone 333.2073607 8.8387 390 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C00535 37.7 0.0 M+FA-H C19H28O2 0.789875589 p-Menth-1-en-9-ol acetate 241.1443376 8.90455 HMDB0037301 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.7 0.0 M+FA-H C12H20O2 -0.994690186 Ursodeoxycholic acid 3-sulfate 471.2424719 8.920833333 LMST05020033 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.7 2.13 M-H C24H40O7S 0.579538487 2-Ethylethcathinone 409.2868222 8.9835 96614 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C13H19NO 1.877052346 Indoleamine 263.12902 9.09625 65657 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 2M-H C8H8N2 -4.543507814 Iridodial 213.1126916 9.180233333 41148 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C10H16O2 -3.217933496 3-O-Methyl-L-DOPA 256.0826761 9.180233333 967 Unclassified Unclassified Unclassified Unclassified Unclassified 37.7 0.0 M+FA-H C10H13NO4 0.072486969 10-Oxooctadecanoic acid 343.2491107 9.7173 HMDB0030980 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.7 0.0 M+FA-H C18H34O3 0.37861132 D-erythro-D-galacto-octitol 241.0919315 0.626733333 86611 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.6 0.0 M-H C8H18O8 -3.963795321 Methylthiomethyl butyrate 147.0480569 0.668933333 93023 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 M-H C6H12O2S -3.156360526 Asparaginyl-Glutamine 259.1048089 0.668933333 85644 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.6 0.0 M-H C9H16N4O5 0.060352874 dUMP 307.0341859 0.696866667 HMDB0001409 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine deoxyribonucleotides 2 C00365 37.6 0.0 M-H2O-H, M-H C9H13N2O8P 1.963905985 Tetrangulol 349.0721396 0.696866667 63741 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C19H12O4 1.242821171 6-({8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 541.1358374 0.696866667 HMDB0126096 Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Unclassified Unclassified 37.6 0.0 M+FA-H C26H24O10 1.38580188 7-Desmethylpapaverine 306.1130345 0.710833333 1704 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H C19H19NO4 -1.637804492 Thidiazuron 439.0763288 0.710833333 72579 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 2M-H C9H8N4OS -0.360296267 Metaproterenol 3-O-sulfate 581.1496496 0.710833333 1178 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 2M-H C11H17NO6S 2.764683791 N-Succinyl-L-citrulline 320.1099818 0.724833333 63487 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C10H17N3O6 0.158822084 alpha-D-Xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-D-glucose 519.1569778 0.73875 HMDB0039705 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.6 0.0 M+FA-H C17H30O15 0.64252512 gamma-Glutamylglutamic acid 275.0887697 0.752666667 HMDB0011737 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C05282 37.6 0.0 M-H C10H16N2O7 1.069308708 Serinyl-Serine 173.0558763 0.781 85941 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.6 0.0 M-H2O-H C6H12N2O5 -4.70688904 (R)C(R)S-S-Propylcysteine sulfoxide 224.059814 0.781 86270 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.6 0.0 M+FA-H C6H13NO3S -0.017562616 D-Erythroascorbic acid 1'-a-D-xylopyranoside 277.0565364 0.781 89426 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.6 0.0 M-H C10H14O9 0.110672348 4-Hydroxy-4-methyl-2-oxoadipate 189.0396955 0.794916667 66102 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H, M-H C7H10O6 -4.740785558 alpha-Methyl-m-tyrosine 240.0876147 1.008516667 69236 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C10H13NO3 -0.673900771 4-Pyridylamide oxime 273.1094804 1.008516667 45427 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 2M-H C6H7N3O -3.892233696 JUGLONE 347.0557576 1.008516667 44061 Benzenoids Naphthalenes Naphthoquinones Unclassified C03840 37.6 0.0 2M-H C10H6O3 -1.01732793 Methylisocitric acid 205.0348029 1.0224 58419 Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives 2 C04593 37.6 0.0 M-H2O-H, M-H C7H10O7 -3.511494485 p-Hydroxytriamterene 314.0996 1.05315 2909 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C12H11N7O -4.127896089 Ethyl 2,4-dioxohexanoate 217.0712942 1.120283333 90246 Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives Unclassified Unclassified 37.6 0.0 M+FA-H C8H12O4 -2.716920196 D-Glyceric acid 230.9820459 1.203633333 65498 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C00258 37.6 0.0 M-H2O-H C6H10CaO8 -1.084815297 Isobutyryl carnitine 276.1453512 1.271983333 34492 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C11H21NO4 0.390314066 N-Acetyl-D-quinovosamine 186.076395 1.374066667 70939 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H C8H15NO5 -3.834850981 (-)-Corey Lactone Diol 217.0712653 1.476633333 63035 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C8H12O4 -2.884746523 beta-D-3-Ribofuranosyluric acid 299.064203 1.57935 HMDB0029920 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 3 C05513 37.6 0.0 M-H C10H12N4O7 2.935111487 (+)-Warfarin 289.0869598 1.61365 45556 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H C19H16O4 -0.188559685 Phenol sulphate 218.9963956 1.63085 HMDB0060015 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates 3 C02180 37.6 0.0 M+FA-H C6H6O4S -2.798723115 3-Hydroxy-L-glutamate 208.0470243 1.902366667 65897 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C5H9NO5 4.593995997 Benzenamine sulfate 218.0123612 1.96955 63303 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C6H7NO3S -2.923192866 Methyl cellulose 453.2322569 10.28085 86592 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.6 0.0 M-H C20H38O11 -4.135823547 Tiamulin 538.3213781 10.66186667 43351 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C28H47NO4S 1.206543612 cis-3-Hexenyl tiglate 363.2545493 10.9787 LMFA07010808 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 2M-H C11H18O2 1.279654838 Taxa-4(20),11(12)-dien-5alpha,13alpha-diol 349.2386975 10.99495 LMPR0104390005 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C11897 37.6 0.0 M+FA-H C20H32O2 0.868906218 Ferulic acid 4-O-glucuronide 547.0211062 11.1054 HMDB0041733 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.6 0.0 2M-H C10H10O7S -1.942673502 6-O-Oleuropeoylsucrose 489.1956647 11.11996667 HMDB0038117 Lipids and lipid-like molecules Saccharolipids Unclassified 1 Unclassified 37.6 0.0 M-H2O-H C22H36O13 -4.103337702 UDP-D-Xylose 581.0433051 11.38188333 HMDB0001018 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides 2 C00190 37.6 0.0 M+FA-H C14H22N2O16P2 1.205747021 3-Carboxy-4-methoxy-N-methyl-2-pyridone 228.0509829 2.038133333 66184 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C8H9NO4 -2.063601845 1-Isothiocyanatopentane 257.114285 2.10625 93124 Organosulfur compounds Isothiocyanates Unclassified Unclassified Unclassified 37.6 0.0 2M-H C6H11NS -3.406607168 2-Aminoadenosine 281.099153 2.598383333 65544 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H C10H14N6O4 -4.337080651 3-Methylsubericacid 233.1027468 2.836533333 LMFA01030981 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.6 0.0 M+FA-H C9H16O4 -1.674780731 Isouron 256.1302673 2.853666667 72239 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C10H17N3O2 -0.05869503 2-Nitroanisole 198.0400408 3.126616667 72988 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C7H7NO3 -4.934151624 L-(-)-3-Phenyllactic acid 211.0606009 3.742416667 3291 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified 2 C05607 37.6 0.0 M+FA-H C9H10O3 -3.589636076 2,3-Dihydroxycarbamazepine 535.154652 4.290716667 HMDB0060673 Organoheterocyclic compounds Benzazepines Dibenzazepines 2 C16603 37.6 0.0 M-H2O-H, 2M-H C15H12N2O3 2.305906117 2-{[hydroxy(6-hydroxy-1-oxo-1H-isochromen-3-yl)methylidene]amino}acetic acid 262.0357707 4.48 HMDB0128642 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.6 0.0 M-H C12H9NO6 0.228378312 Methyl 4-(methylthio)butyrate 295.1049656 4.48 92461 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.6 0.0 2M-H C6H12O2S 2.163953967 Glyceryl lactopalmitate 403.0999337 4.531583333 HMDB0032299 Organoheterocyclic compounds Azoles Pyrazoles Unclassified Unclassified 37.6 0.0 M-H C20H16N6O2S 4.121141527 N-Desmethylperazine 306.1421462 4.548783333 2777 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H C19H23N3S -3.940913784 1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene 317.1178574 4.754983333 HMDB0060341 Benzenoids Phenanthrenes and derivatives Unclassified 2 C19489 37.6 0.0 M+FA-H C20H16O -1.692531171 Acetaminophen 196.060868 4.772233333 HMDB0001859 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids 2 C06804 37.6 0.0 M+FA-H C8H9NO2 -4.391623349 Dimethylsulfide 123.031293 4.823433333 6603 Organosulfur compounds Thioethers Dialkylthioethers 2 C00580 37.6 0.0 2M-H C2H6S 4.248813786 Cystamine 197.0424251 5.023283333 55 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C4H12N2S2 0.209441662 Brassilexin 347.0447861 5.05715 94193 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 37.6 0.0 2M-H C9H6N2S 4.953782411 trans-Cinnamoyl beta-D-glucoside 355.1042262 5.05715 66124 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C15H18O7 2.484284912 Acetyl citrate 467.0659699 5.1259 HMDB0059808 Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Unclassified Unclassified 37.6 0.0459 2M-H C8H10O8 -4.03409579 Monotropein 371.0986562 5.143133333 41157 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 C09788 37.6 0.0 M-H2O-H C16H22O11 0.732679969 Alchorneine 266.1514517 5.1603 68389 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C12H19N3O 1.974265386 p-Hydroxyphenylacetic acid 151.0390761 5.211683333 HMDB0000020 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids 3 C00642 37.6 0.0 M-H, M+FA-H C8H8O3 -6.52140188 Benzyl (2S,3S)-2-methyl-3-hydroxybutanoate 253.1083381 5.228883333 66210 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C12H16O3 0.91692164 PC(O-6:0/2:0)[U] 364.1885193 5.246216667 40153 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H C16H34NO7P -2.423435342 Deoxyribose 5-monophosphate 259.021517 5.2635 HMDB0059654 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.6 0.0 M+FA-H C5H11O7P -4.32259678 5-Hydroxydopamine 214.0716936 5.28065 7081 Benzenoids Phenols Benzenediols Unclassified Unclassified 37.6 0.0 M+FA-H C8H11NO3 -2.380275451 cyclic 3-Hydroxymelatonin 293.1145752 5.297816667 HMDB0060069 Organoheterocyclic compounds Indoles and derivatives Pyrroloindoles Unclassified Unclassified 37.6 0.0 M+FA-H C13H16N2O3 1.128291976 5''-(4-Hydroxy-(E)-cinnamoyl) alpha-L-arabinofuranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-D-xylopyranoside 559.1677714 5.297816667 95875 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.6 0.0 M-H, M+FA-H C24H32O15 1.655684771 3-(3,4-Dihydroxyphenyl)pyruvate 195.0292976 5.315033333 63507 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H C9H8O5 -3.057423282 Nocardicin C 467.15952 5.315033333 71625 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H C23H26N4O8 4.725180648 AF Toxin II 647.3057007 5.315033333 89321 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.6 0.0 2M-H C17H24O6 -2.467723881 1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol 401.1822543 5.331016667 70459 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C19H32O2S2 -0.900805812 Ethirimol 190.134083 5.412316667 72593 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H C11H19N3O -4.24626029 Dodecanoic acid, 3-hydroxy-, (S)-; L-3-Hydroxydodecanoic acid 261.1709542 5.44555 74617 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C12H24O3 0.956006703 methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate 369.2284995 5.596366667 74464 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.6 0.0 M+FA-H C19H32O4 0.731303124 4Z-Decenedioic acid 181.0861852 5.6128 LMFA01170045 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.6 0.0 M-H2O-H C10H16O4 -4.160953311 7,4'-Dihydroxyflavone 7-rutinoside 607.167918 5.6128 48462 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C27H30O13 1.910657176 Phenylmethanesulfonyl fluoride 173.0079066 5.6454 66517 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H C7H7FO2S 0.599788404 Pseudoecgonine 184.0971459 5.6454 HMDB0006348 Alkaloids and derivatives Tropane alkaloids Unclassified Unclassified C12449 37.6 0.0 M-H C9H15NO3 -4.165029795 Tyrosol 119.0489805 5.729433333 HMDB0004284 Benzenoids Phenols Tyrosols and derivatives 3 C06044 37.6 0.0 M-H2O-H C8H10O2 -9.111196263 Phe Gly Phe Gly 425.1844944 5.763166667 65366 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H C22H26N4O5 3.404364655 Haplophytine 651.2843496 5.813583333 67517 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H C37H40N4O7 2.953213359 2,3,5-Trimethacarb 238.10833 5.864966667 72717 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C11H15NO2 -0.785011966 Metominostrobin 329.1139606 5.882233333 72364 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C16H16N2O3 -1.177990365 5,6-Dihydroxyprostaglandin F1a 433.2459337 5.899483333 HMDB0012109 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 C06475 37.6 0.0 M+FA-H C20H36O7 4.191446014 Isopentyl isopentanoate 217.1440748 5.95035 HMDB0030029 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C12289 37.6 0.0 M+FA-H C10H20O2 -2.660324668 N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-Glycine 526.2487574 5.967566667 6730 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.6 0.0 M-H2O-H C26H43NO9S 1.367311061 Zearalanone 365.1633964 6.002183333 70308 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H, M+FA-H C18H24O5 0.600282387 Cyanidin 3-(6''-acetylglucoside) 535.1102377 6.01945 46899 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H, M+FA-H C23H22O12 1.134925553 Terpinyl isobutyrate 269.1760655 6.1032 88505 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.6 0.0 M+FA-H C14H24O2 1.037698992 3Z-dodecenedioic acid 273.134632 6.1032 LMFA01170137 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.6 0.0 M+FA-H C12H20O4 1.183422843 Acetaminophen cystein 253.0646107 6.18385 HMDB0060559 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.6 8.01 M-H C11H14N2O3S -2.464653204 N'-Hydroxysaxitoxin 296.1109508 6.2142 89461 Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H C10H17N7O5 -1.030630004 Paeonilactone A 197.0812444 6.277033333 71700 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H C10H14O4 -3.473438049 3,5-Dinitro-4-hydroxyphenylpyruvate 250.9947071 6.395766667 66154 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H2O-H C9H6N2O8 0.49285619 Isopentenyl adenosine 669.3064544 6.395766667 64086 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H, 2M-H C15H21N5O4 -3.360850991 Boc-Phe(NMe)-Gly-OMe 349.176956 6.430283333 65476 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H C18H26N2O5 0.172740191 3,14-Dihydroxy-11,13-dihydrocostunolide 311.1504338 6.515633333 90913 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.6 0.0 M+FA-H C15H22O4 1.584544904 1-PHENYLBIGUANIDE 353.1972204 6.532666667 44226 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 2M-H C8H11N5 4.534291493 PI(15:0/0:0) 557.274087 6.584316667 81195 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 37.6 0.0 M-H C24H47O12P 1.522298515 (3a,5b,7a,12a)-3,7-dihydroxy-12-(sulfooxy)cholan-24-oic acid 487.2377894 6.653383333 6722 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M-H C24H40O8S 1.385688034 Embelin 339.1813927 6.7381 43201 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C17H26O4 0.273766172 Annuionone B 267.1239873 7.002533333 88204 Organoheterocyclic compounds Oxepanes Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C13H18O3 0.855482619 Isoprocarb 238.1082961 7.03615 72226 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C11H15NO2 -0.960332405 (5R,6S)-5,6-Epoxy-7-megastigmen-9-one 253.1444984 7.070033333 HMDB0034984 Organoheterocyclic compounds Oxepanes Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C13H20O2 -0.164971285 formyl 2Z,4E,6Z-decatrienoate 225.1128345 7.121783333 97205 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C11H16O2 -2.210599771 (E)-1-Cinnamoylpyrrolidine 246.1132797 7.156283333 HMDB0038835 Phenylpropanoids and polyketides Cinnamic acids and derivatives Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C13H15NO -1.428415694 2-Benzyl-5-hydroxymethyl-1,3-dioxolane 175.0755459 7.207433333 HMDB0041506 Benzenoids Benzene and substituted derivatives Unclassified 1 Unclassified 37.6 0.0 M-H2O-H, M+FA-H C11H14O3 -4.674335765 3-Hydroxydodecanoic acid 261.1707571 7.37805 HMDB0000387 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 37.6 0.0 M+FA-H C12H24O3 0.044287128 Ketopelenolide a 295.1552316 7.394866667 91706 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.6 0.0 M+FA-H C15H22O3 0.53626929 Piloty's Acid 345.020853 7.89455 44964 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 2M-H C6H7NO3S -3.464427364 3,4-DMMA 254.139774 8.010616667 96606 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C12H19NO2 -0.03707948 Eugenol 209.081748 8.094133333 HMDB0005809 Benzenoids Phenols Methoxyphenols 1 C10453 37.6 0.0 M+FA-H C10H12O2 -1.124510021 Isoalantolactone 277.1445717 8.194433333 67738 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 C09484 37.6 0.0 M+FA-H C15H20O2 0.16793277 4-ethyl-N,N-Dimethylcathinone 409.28688 8.228566667 96618 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 2M-H C13H19NO 2.018029669 Alline 379.2130924 8.591733333 87046 Organoheterocyclic compounds Indoles and derivatives Pyrroloindoles Unclassified Unclassified 37.6 0.0 2M-H C11H14N2O -2.254878867 Betahistine 271.1917113 8.74035 HMDB0015644 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 37.6 0.0 2M-H C8H12N2 -4.07453678 4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one 311.1867056 8.8387 HMDB0033917 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.6 0.0 M+FA-H C16H26O3 1.157136104 L-Linalool 3-[xylosyl-(1->6)-glucoside] 429.2134081 8.9835 HMDB0030421 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.6 0.0 M-H2O-H C21H36O10 0.896573041 2-Hexylthiophene 335.1867333 9.063183333 HMDB0032329 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 37.6 0.0 2M-H C10H16S -1.586196315 Oryzalide B 365.1971745 9.213683333 92439 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.6 0.0 M+FA-H C19H28O4 0.662926346 DL-PDMP (hydrochloride) 435.2869598 9.247383333 43407 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C23H38N2O3 1.316629779 Acetylenic acids; 10,16-Heptadecadien-8-ynoic acid, 7-hydroxy, (E)- 323.1865674 9.263866667 74623 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C17H26O3 0.610656873 LysoPE(20:0/0:0) 554.3487942 9.499433333 62296 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines 1 Unclassified 37.6 0.0 M+FA-H C25H52NO7P 4.81331401 HECOGENIN ACETATE 517.3171863 9.550116667 43700 Unclassified Unclassified Unclassified Unclassified Unclassified 37.6 0.0 M+FA-H C29H44O5 0.230645253 cis-4-Decenyl acetate 243.1600549 9.733716667 HMDB0032214 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 37.6 0.0 M+FA-H C12H22O2 -0.645543892 Diflunisal acyl glucuronide 471.0762154 0.654816667 2030 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C19H16F2O9 4.163560454 Quinoline-3-carboxamides 404.1047244 0.668933333 69160 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C21H14FN3O2 -1.346129684 Alanyl-Threonine 189.0872432 0.682916667 HMDB0028697 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.5 0.0 M-H C7H14N2O4 -4.404518188 Catechin-4-ol 3-O-beta-D-galactopyranoside 449.1073166 0.696866667 LMPK12020199 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 6.14 M-H2O-H, M-H C21H24O12 -3.457259075 METHYLTHIOURACIL 187.0184791 0.710833333 44256 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C5H6N2OS 1.354625192 D-(+)-Melezitose 485.1519362 0.73875 HMDB0011730 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C08243 37.5 0.0 M-H2O-H C18H32O16 1.472412065 2-Methylbutyrylglycine 204.0871478 0.781 5328 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.5 0.0 M+FA-H C7H13NO3 -3.761304612 PYRITHYLDIONE 212.0922839 0.794916667 44329 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C9H13NO2 -3.277601098 Pamidronate 279.9988765 0.942083333 HMDB0014427 Organic acids and derivatives Organic phosphonic acids and derivatives Bisphosphonates Unclassified C07395 37.5 0.0 M+FA-H C3H11NO7P2 -1.707960105 1-hydroxyoct-3-enoylglycine 260.1141547 1.008516667 HMDB0094733 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.5 0.0 M+FA-H C10H17NO4 0.900930476 Melibiitol 325.114403 1.008516667 HMDB0006791 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 2 C05399 37.5 0.0 M-H2O-H, 2M-H C12H24O11 1.111686125 2,4-Diamino-6-hydroxylaminotoluene 198.087731 1.0224 71187 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C7H11N3O -4.466954596 2-{[hydroxy(2,4,6-trihydroxyphenyl)methylidene]amino}acetic acid 226.035377 1.070166667 HMDB0125157 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.5 0.0 M-H C9H9NO6 -1.46918992 chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a 301.1408325 1.169433333 HMDB0062464 Benzenoids Benzene and substituted derivatives N-phenylureas Unclassified Unclassified 37.5 0.0 2M-H C7H9N3O -3.358897821 Benzoyl peroxide 287.0555557 1.254816667 HMDB0032040 Benzenoids Benzene and substituted derivatives Benzoyl peroxides 1 C19346 37.5 0.0 M+FA-H C14H10O4 -2.296708684 2-Amino-3-methoxy-benzoic acid 212.0559083 1.390916667 43207 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C8H9NO3 -3.21901486 AL 34662 236.1038452 1.476633333 64719 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C10H13N3O -1.14954888 3-Pyridinebutanoic acid 210.076607 1.545133333 HMDB0001007 Organoheterocyclic compounds Pyridines and derivatives Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C9H11NO2 -3.479649914 4-Hydroxy-L-phenylglycine 212.0559031 1.869 43209 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C8H9NO3 -3.250147915 gamma-Glutamyl-S-methylcysteinyl-beta-alanine 334.1080619 1.869 94073 Organic acids and derivatives Peptidomimetics Hybrid peptides Unclassified Unclassified 37.5 0.0 M-H C12H21N3O6S 0.692195691 1-Methylinosine 281.0892914 1.98655 3780 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified Unclassified 37.5 0.0 M-H C11H14N4O5 0.5255346 1,5,5,8-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene 471.3117431 10.39613333 HMDB0036468 Organoheterocyclic compounds Thiiranes Unclassified Unclassified Unclassified 37.5 0.0 2M-H C15H24S -1.532911637 5,6-Indolequinone-2-carboxylic acid 381.0357228 10.41206667 63501 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 2M-H C9H5NO4 -1.874369794 10-Undecen-1-ol 215.164796 10.47818333 LMFA05000587 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.5 0.0 M+FA-H C11H22O -2.775169095 2-[(sulfooxy)methyl]butanoic acid 395.0326829 10.57776667 HMDB0130847 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.5 0.0 2M-H C5H10O6S 0.861709811 8-piperazin-1-yl-Isoquinoline (hydrochloride) 425.2469516 10.76183333 45045 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 2M-H C13H15N3 2.423607235 Menthadienyl acetate 387.2544901 10.845 HMDB0038292 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.5 0.0 2M-H C12H18O2 1.048042988 3-Methoxy-4-Hydroxyphenylglycol Sulfate 527.0518402 10.89533333 6889 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.5 0.0 2M-H C9H12O7S -3.088327205 Hydroxysalmeterol 476.2634471 11.11996667 2388 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C25H37NO5 -4.472996085 3alpha,7alpha,12alpha,24(S)-tetrahydroxy-5beta-cholestan-27-al 449.3278406 11.28136667 HMDB0062206 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.5 1.48 M-H, M+FA-H C27H46O5 1.315563401 3-(8,11,14-Pentadecatrienyl)phenol 343.2281029 11.66461667 HMDB0033862 Benzenoids Phenols 1-hydroxy-4-unsubstituted benzenoids Unclassified Unclassified 37.5 0.0 M+FA-H C21H30O 0.786282621 7-Ethyltridecan-6-one 271.2280858 12.30976667 98246 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C15H30O 0.960589899 Ecgonine 230.1030527 2.225383333 64444 Alkaloids and derivatives Tropane alkaloids Unclassified Unclassified C10858 37.5 0.0 M+FA-H C9H15NO3 -1.856038756 Alpha-Ketooctanoic acid 203.0917777 2.293266667 HMDB0013211 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Unclassified Unclassified 37.5 0.0 M+FA-H C8H14O3 -4.550909612 Stizolobinate 226.0352765 2.293266667 63514 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H C9H9NO6 -1.911700457 1-dimethylarsinoyl-decane 307.126053 2.42905 LMFA11000719 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 37.5 0.0 M+FA-H C12H27AsO 0.240784277 5-Sulfosalicylic acid 216.9806696 2.6829 HMDB0011725 Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Unclassified C16199 37.5 0.0 M-H C7H6O6S -2.582317413 6-(2-amino-2-carboxyethyl)-4-hydroxybenzothiazole 283.0395064 2.836533333 HMDB0062793 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.5 0.0 M+FA-H C10H10N2O3S 0.379472235 Ethyl 2-furanacrylate 211.0605886 3.9478 95984 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+FA-H C9H10O3 -3.664159538 Marasmal 341.1241617 4.325166667 91870 Organoheterocyclic compounds Naphthofurans Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C15H20O6 -0.099803004 OLEANDRIN 621.326257 4.342416667 44218 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C32H48O9 -3.08683079 Glutaminyl-Tyrosine 308.1255057 4.462783333 85723 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.5 0.0 M-H C14H19N3O5 1.007377579 6-Ethyl-1-methyl-2,7,8-trioxabicyclo[3.2.1]octane 203.091925 4.48 86875 Organoheterocyclic compounds Dioxepanes 1,3-dioxepanes Unclassified Unclassified 37.5 0.0 M+FA-H C8H14O3 -3.619139839 DIHYDROROBUSTIC ACID 363.1229445 4.565966667 44620 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H2O-H C22H22O6 -2.231701316 Zileuton 281.060434 4.634816667 43372 Organoheterocyclic compounds Benzothiophenes 1-benzothiophenes Unclassified Unclassified 37.5 0.0 M+FA-H C11H12N2O2S 1.196792019 Dynorphin B (6-9) 586.3213775 4.66925 HMDB0012937 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.5 0.0 M-H2O-H C26H43N11O6 -0.924264693 Imazamox 350.1363917 4.703683333 72398 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C15H19N3O4 2.073623847 Boc-DVal(NMe)-Val-OMe 389.2299576 4.7379 65479 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C17H32N2O5 1.837647694 2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid 268.0830003 4.772233333 HMDB0142117 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.5 0.0 M-H C12H15NO6 1.261872672 IPRONIAZID 224.1037565 4.806216667 43860 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C9H13N3O -1.72206058 Dihydroferulic acid 4-sulfate 257.0116455 4.806216667 96082 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.5 0.0 M-H2O-H C10H12O7S -3.213774551 Methyltriazolopthalazine 164.0616399 4.823433333 3166 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H2O-H C11H9N3 -0.908252333 Isoferulic acid 239.0557441 4.823433333 64942 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified C10470 37.5 0.0 M+FA-H C10H10O4 -1.894007956 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid 179.0341709 4.888816667 HMDB0006915 Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives 2 C05350 37.5 0.0 M-H C9H8O4 -4.506583787 7,8-Dihydro-7,8-dihydroxykynurenate 204.0296759 4.904883333 63553 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H2O-H C10H9NO5 -2.489737938 2-Hydroxy-5-methylquinone 183.029226 4.9385 72151 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C7H6O3 -4.860843668 Sucrose octaacetate 677.1926102 4.955766667 HMDB0029893 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.5 0.0 M-H C28H38O19 -1.24197544 Orellanine 297.0364693 4.972966667 73453 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C10H8N2O6 0.120754138 Dihydroconiferyl alcohol 227.0921856 5.04015 68331 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C10H14O3 -1.711025732 PC(10:0/0:0)[U] 392.2196375 5.05715 40272 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H2O-H C18H38NO7P -2.700599828 Troglitazone quinone 438.1377296 5.05715 2974 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H2O-H C24H27NO6S -0.739001752 p-hydroxymexiletine 240.1240551 5.1259 HMDB0060954 Benzenoids Phenols 4-alkoxyphenols Unclassified Unclassified 37.5 0.0 M+FA-H C11H17NO2 -0.392138895 2,6-Dimethyl-7-octene-1,6-diol 8-O-glucoside 333.1922681 5.1259 HMDB0033218 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.5 0.0 M-H C16H30O7 1.17065911 ({5-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl}methoxy)sulfonic acid 689.1042774 5.1259 HMDB0125359 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.5 0.103 M+FA-H C26H28O17S 2.10224592 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid 295.1191213 5.143133333 HMDB0038804 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 37.5 0.0 M+FA-H C14H18O4 1.636800345 Methoxybrassenin A 325.068567 5.1775 93296 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 37.5 0.0 M+FA-H C13H16N2OS2 -0.146373506 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid 559.2263872 5.2635 LMFA13010051 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 37.5 0.0 M+FA-H C21H38O14 3.94470774 2-Furanylmethyl butanoate 213.0763933 5.297816667 LMFA07010714 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+FA-H C9H12O3 -2.7001532 2-Amino-6-(benzylthio)purine 256.0651585 5.297816667 70755 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H C12H11N5S -4.206672975 Geniposidic acid 355.104218 5.315033333 64052 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 C11673 37.5 0.0 M-H2O-H C16H22O10 2.03723576 Proanthocyanidin A2 557.1093441 5.315033333 HMDB0037655 Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids 3 C10237 37.5 0.0 M-H2O-H C30H24O12 0.709884155 Zeanoside C 430.0994604 5.3795 93570 Organoheterocyclic compounds Benzoxazines Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C16H19NO10 0.93928467 Methionyl butyrate 221.0850339 5.428783333 88405 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+FA-H C8H16O2S -1.53147227 3,4-Dihydroxyphenylacetaldehyde 197.0449526 5.44555 HMDB0003791 Benzenoids Benzene and substituted derivatives Phenylacetaldehydes 2 C04043 37.5 0.0 M+FA-H C8H8O3 -3.909381762 (R)-2-Hydroxycaprylic acid 205.1075642 5.46185 HMDB0002264 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.5 0.0 M+FA-H C8H16O3 -3.641400601 Epidermin 306.1196394 5.46185 HMDB0034777 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.5 7.57 M+FA-H C11H19NO6 0.76299848 Isovalerylcarnitine 244.1552166 5.479133333 LMFA07070076 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M-H C12H23NO4 -0.877919226 Tetrahydrofurfuryl acetate 189.0761566 5.562866667 87469 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C7H12O3 -4.792635225 5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone 343.1201449 5.6128 52682 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H, 2M-H C18H18O4 4.806795626 Pentyl 3-methylbutanoate 217.144091 5.629433333 LMFA07010988 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+FA-H C10H20O2 -2.565928073 N-acetyl-4-aminosalicylic acid 194.0452959 5.661866667 947 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H C9H9NO4 -3.00128351 Flunarizine 4-oxide 401.1822236 5.661866667 2732 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H2O-H C26H26F2N2O -2.987027468 2-hydroxy pelargonic acid 219.1233577 5.763166667 35406 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.5 0.0 M+FA-H C9H18O3 -2.524796148 Curcolonol 309.1351437 5.813583333 89094 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.5 0.0 M+FA-H C15H20O4 2.959467065 Normetanephrine 228.0873905 5.830633333 66 Benzenoids Phenols Methoxyphenols 2 C05589 37.5 0.0 M+FA-H C9H13NO3 -1.942410239 Leptodactylone 267.0513275 5.899483333 67566 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C11H10O5 1.356475203 o-Methoxyhydrocinnamic acid 225.0770932 5.9164 24105 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C10H12O3 1.366617105 Epinephrine 228.0874049 5.933116667 HMDB0000068 Benzenoids Phenols Benzenediols 2 C00788 37.5 0.0 M+FA-H C9H13NO3 -1.863617371 2-Oxo-9-methylthiononanoic acid 263.0961925 5.95035 64507 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C10H18O3S 1.48641906 {3-[(1Z)-3-hydroxy-2-pentylprop-1-en-1-yl]phenyl}oxidanesulfonic acid 299.0961841 5.95035 HMDB0126528 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.5 0.0 M-H C14H20O5S 1.052320126 Ptaquiloside 397.1871746 5.967566667 73198 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H C20H30O8 0.962057043 Ethyl vanillin isobutyrate 281.1032684 6.0533 92513 Benzenoids Phenol esters Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C13H16O4 0.874651648 Carpacin 237.0765223 6.167316667 68324 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C11H12O3 -1.691119718 6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside) 577.1205606 6.18385 52427 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C25H24O13 1.253237536 Monoacetyldapsone(MADDS) 335.0710572 6.2448 1930 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C14H14N2O3S 1.175440948 Davallioside A 516.1516431 6.2608 LMPK12020044 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.5 0.0 M-H2O-H C25H29NO12 0.950883041 L-Homotyrosine 176.0708168 6.344066667 72416 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H2O-H C10H13NO3 -4.538030241 SENECRASSIDIOL 6-ACETATE 325.2022767 6.413016667 43736 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C17H28O3 0.817425653 2',5'-Dihydroxyflavone 5'-acetate 341.0668245 6.447483333 LMPK12110092 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C17H12O5 0.5005172 AG-1296 311.1041243 6.584316667 45283 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C16H14N2O2 1.479435166 4-Methylbenzamide oxime 299.1501693 6.618816667 96505 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 2M-H C8H10N2O -3.931967223 Lactone of PGF-MUM 295.1551774 7.002533333 2295 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H2O-H, M-H C16H24O5 0.238520694 7-Methyladenine 297.134466 7.241033333 HMDB0011614 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified C02241 37.5 0.0 2M-H C6H7N5 4.870027599 diethyltoluamide 236.1289423 7.343833333 3982 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C12H17NO -1.437690693 Mono-(2-ethyl-5-hydroxyhexyl) phthalate 339.1451129 7.446366667 HMDB0094679 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.5 0.0 M+FA-H C16H22O5 0.633221962 cis-3-Hexenyl hexanoate 243.1600071 7.480366667 HMDB0033378 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+FA-H C12H22O2 -0.886703046 2-Heptyl butyrate 245.1756968 7.51425 HMDB0032310 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+FA-H C12H24O2 -0.679815587 Isoamyl p-anisate 267.123968 7.531433333 HMDB0038894 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.5 0.0 M+FA-H C13H18O3 0.768303906 Elatoside I 1001.497504 7.680833333 87353 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.5 0.0 M-H, M+FA-H C48H76O19 0.063930356 Etomidate 487.2374636 7.7294 2640 Organoheterocyclic compounds Azoles Imidazoles Unclassified C07522 37.5 0.0 2M-H C14H16N2O2 4.88377648 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene 225.1128065 7.81155 HMDB0030007 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 37.5 0.0 M+FA-H C11H16O2 -2.366019868 Kikkanol F 299.1865006 7.861816667 71813 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C15H26O3 0.405171913 Ethyl (Z,Z)-5,8-tetradecadienoate 297.2072084 8.296233333 93729 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+FA-H C16H28O2 0.298878716 N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfoxy)cholan-24-yl]-Glycine 526.2484261 8.34645 LMST05030010 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H2O-H C26H43NO9S 0.75972423 3,4,5-Trimethoxytoluene 363.1821691 8.363166667 71916 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 2M-H C10H14O3 2.353074608 Ricinoleic Acid methyl ester 357.2648744 8.39665 45190 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C19H36O3 0.725356348 1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-phenyl-, trans- glucuronide 492.2586078 8.9835 2124 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M-H C26H39NO8 -3.411818221 19-Oxotestosterone 347.1865736 9.247383333 HMDB0003959 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C05295 37.5 0.0 M+FA-H C19H26O3 0.582659213 Anofinic acid 249.0767446 9.29665 HMDB0033303 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 37.5 0.0 M+FA-H C12H12O3 -0.502400015 3-Phenylpropyl isovalerate 265.1445687 9.29665 91532 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.5 0.0 M+FA-H C14H20O2 0.163366089 Alloalantolactone 277.1442642 9.600466667 HMDB0036119 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.5 0.0 M+FA-H C15H20O2 -1.156688387 Ciglitazone 378.1384155 9.869583333 43448 Unclassified Unclassified Unclassified Unclassified Unclassified 37.5 0.0 M+FA-H C18H23NO3S 1.044607862 Glycyl-Asparagine 188.0668925 0.654816667 HMDB0028836 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M-H C6H11N3O4 -4.161942775 N-(3-carboxypropanoyl)-N-hydroxycadaverine 217.1188983 0.654816667 LMFA08020187 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.4 0.0 M-H C9H18N2O4 -2.211385529 3-hydroxy-2-(hydroxymethyl)-2-[(sulfooxy)methyl]propanoic acid 275.0080336 0.682916667 HMDB0127656 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Unclassified Unclassified 37.4 0.0 M+FA-H C5H10O8S 0.836605727 Threoninyl-Aspartate 215.0667654 0.710833333 85950 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M-H2O-H C8H14N2O6 -2.476383285 5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone 7-glucoside 521.1286011 0.724833333 LMPK12111460 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 12.3 M-H2O-H, M-H C24H26O13 1.575362806 Glutamylhistidine 329.1100887 0.781 HMDB0028821 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+FA-H C11H16N4O5 -0.646960447 Maltitol 389.1317596 0.99305 HMDB0002928 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 37.4 0.0 M+FA-H C12H24O11 4.925720184 2-Amino-2-deoxyisochorismate 270.0621557 1.008516667 72009 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C10H11NO5 1.023693639 Clavamycin B 343.1256136 1.008516667 71636 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C13H22N4O8 -0.853264056 Pisatoside 242.0668701 1.0224 93725 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.4 0.0 M-H2O-H C10H15NO7 -0.538365898 Calcium levulinate anhydrous 251.0230864 1.037216667 72192 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C10H14CaO6 -2.598055106 1-Pyrenylsulfate 297.0224699 1.037216667 72113 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H C16H10O4S -0.783513602 2-(Biaryl)carbapenems 330.1144618 1.237583333 69256 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C21H19NO4 2.562961717 3-Furanmethanol glucoside 305.0881155 1.254816667 HMDB0032924 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.4 0.0 M+FA-H C11H16O7 1.190894022 Mesuaxanthone A 303.050387 1.390916667 68116 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C14H10O5 -2.477315876 L-2-Amino-5-(methylthio)pentanoic acid 325.1250721 1.408 HMDB0030406 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C17213 37.4 0.0 2M-H C6H13NO2S -3.221858944 2-{[hydroxy(3,4,5-trihydroxyphenyl)methylidene]amino}acetic acid 226.0353203 1.45945 HMDB0126635 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.4 0.0 M-H C9H9NO6 -1.7187919 Serylglutamic acid 215.0668154 1.562333333 HMDB0029038 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M-H2O-H C8H14N2O6 -2.262819655 Butyl lactate 191.0917759 1.57935 HMDB0040254 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 37.4 0.0 M+FA-H C7H14O3 -4.937007271 Tyramine-O-sulfate 262.0392038 1.596533333 HMDB0006409 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.4 0.0 M+FA-H C8H11NO4S 0.562641956 Dihydromaleimide beta-D-glucoside 242.0668198 1.699116667 HMDB0030277 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.4 0.0 M-H2O-H C10H15NO7 -0.73120808 Tetrahydrofurfuryl propionate 203.0918136 1.75015 87470 Organoheterocyclic compounds Tetrahydrofurans Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C8H14O3 -4.323951739 2-Aminoheptanedioic acid 174.0763069 1.818166667 HMDB0034252 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M-H C7H13NO4 -4.995142338 Alitame 330.1495941 1.918916667 HMDB0037324 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M-H C14H25N3O4S 0.88557844 N-Methylcalystegine C1 186.0764017 1.96955 91536 Alkaloids and derivatives Tropane alkaloids Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C8H15NO5 -3.802057815 Guaiol acetate 309.2073949 10.13293333 HMDB0037218 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.4 0.0 M+FA-H C17H28O2 0.991207349 CB-25 448.3070708 10.14991667 45213 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C25H41NO3 0.554709222 R-1 Methanandamide Phosphate 486.2615539 10.2003 44887 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C23H40NO5P -2.399871338 CAY10412 381.2263039 10.33026667 64858 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H, M-H C25H36O2S 1.358122522 (5alpha,6beta,14alpha,20R,22R)-5,6,14,20,27-Pentahydroxy-1-oxowith-24-enolide 551.286923 10.57776667 89071 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones 1 Unclassified 37.4 0.0 M+FA-H C28H42O8 1.485065351 (-)-Salvisyriacolide 481.2810944 10.61138333 53744 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 37.4 0.0 M+FA-H C25H40O6 0.922691623 (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine 540.3371343 10.86175 57994 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H C29H51NO6S 1.295571849 Diisobutyl adipate 515.3591825 11.044 69920 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 C14260 37.4 0.0 2M-H C14H26O4 0.465329569 [2-hydroxy-3-(phenoxycarbonyl)phenyl]oxidanesulfonic acid 619.0218569 11.11996667 HMDB0135171 Phenylpropanoids and polyketides Depsides and depsidones Unclassified Unclassified Unclassified 37.4 0.0 2M-H C13H10O7S -0.506478072 PQQ 659.0154225 11.4146 63125 Organoheterocyclic compounds Quinolines and derivatives Pyrroloquinolines Unclassified C00113 37.4 0.0 2M-H C14H6N2O8 -3.229306044 12-Methyltridecanal 257.2122915 11.87878333 HMDB0032432 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 37.4 0.0 M+FA-H C14H28O 0.344548769 (Z)-1,5-Tridecadiene 225.1856549 11.94526667 HMDB0041081 Hydrocarbons Unsaturated hydrocarbons Olefins Unclassified Unclassified 37.4 0.0 M+FA-H C13H24 -1.935626756 PA(P-16:0/0:0) 439.2469428 12.42571667 LMGP10070003 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 37.4 0.0 M+FA-H C19H39O6P 0.797323907 3,7,7,10-Tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene 471.3117293 12.87261667 HMDB0036469 Organoheterocyclic compounds Thiiranes Unclassified Unclassified Unclassified 37.4 0.0 2M-H C15H24S -1.562147791 Methyl isothiocyanate 144.9906774 15.96135 HMDB0034106 Organosulfur compounds Isothiocyanates Unclassified Unclassified C18587 37.4 0.0 2M-H C2H3NS 4.888019216 FOSFOSAL 434.9904751 15.97836667 44294 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 2M-H C7H7O6P 3.904553823 Cystathionine ketimine 248.0233466 2.191366667 HMDB0002015 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+FA-H C7H9NO4S -0.418938144 (E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid 225.0400186 2.242333333 HMDB0032057 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 2 C12623 37.4 0.0 M+FA-H C9H8O4 -2.460426717 Methionyl-Valine 247.1121308 2.2763 85888 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M-H C10H20N2O3S -0.226853034 Succinylacetoacetate 183.0290792 2.31025 HMDB0240258 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Unclassified Unclassified 37.4 0.0 M-H2O-H C8H10O6 -4.047065356 DL-o-Tyrosine 226.0716568 2.463016667 58353 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+FA-H C9H11NO3 -2.425842563 vinylic Honaucin A 215.0555727 2.48 65494 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C8H10O4 -3.169559676 3-Hydroxy-4-methylanthranilate 212.0559057 2.632083333 66092 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C8H9NO3 -3.234612314 N6,N6,O-Tridemethylpuromycin-5'-phosphate 554.1409783 2.973283333 64573 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C19H24N7O8P 0.742430793 N-Methylcalystegine B2 188.0920538 3.314733333 91664 Alkaloids and derivatives Tropane alkaloids Unclassified Unclassified Unclassified 37.4 0.0 M-H C8H15NO4 -4.113069085 (R)-Salsolinol 224.0923948 3.314733333 58297 Organoheterocyclic compounds Tetrahydroisoquinolines Unclassified Unclassified C09642 37.4 0.0 M+FA-H C10H13NO2 -2.438301969 3-Methoxymandelic acid-4-O-sulfate 258.9920653 4.462783333 1597 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C9H10O8S 0.964425731 Hymexazol N-glucoside 306.0832365 4.462783333 68845 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C10H15NO7 0.696165868 (4-ethenyl-2-methoxyphenyl)oxidanesulfonic acid 275.0236753 4.497216667 HMDB0127980 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.4 0.0 M+FA-H C9H10O5S 2.51265833 (R)-N-Methylsalsolinol 238.108303 4.514416667 HMDB0003626 Organoheterocyclic compounds Tetrahydroisoquinolines Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C11H15NO2 -0.924619233 7-Desmethylprazosin 368.1382197 4.531583333 2063 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H C18H19N5O4 4.854560004 CAY10397 373.1038626 4.6004 63042 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C17H16N2O5 -0.798224299 Linalyl diphosphate 295.0494135 4.686483333 66303 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C10H20O7P2 -3.730505396 HET0016 251.1401398 4.703683333 63089 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C12H18N2O 0.1153121 Methoxybrassinin 311.053669 4.703683333 HMDB0033351 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified C08506 37.4 0.0 M+FA-H C12H14N2OS2 2.672722132 3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylic acid 255.0513069 4.772233333 HMDB0125516 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.4 0.0 M+FA-H C10H10O5 1.335991305 Trimethoprim 3-N-oxide 305.1251049 4.823433333 2959 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H C14H18N4O4 -1.384293988 MBP 1 297.0551063 4.92155 89963 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C11H12N2O3S 0.159204794 8-p-Coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin 383.0922365 4.972966667 LMPK12120258 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C24H18O6 -0.648203911 BILA 2185BS 599.3053028 5.07435 71001 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C35H46N4O4S -1.347223897 Angustine 294.1021886 5.1088 67367 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C20H15N3O -4.734119403 N-methylundec-10-enamide 242.1761085 5.1259 65467 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C12H23NO -0.297828283 OHOOA-PI 751.3647975 5.1259 LMGP20050031 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 37.4 0.0 M-H C35H61O15P -3.633719963 CAY10568 237.1243614 5.143133333 64721 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C11H16N2O -0.544560401 Methyl heptanoate 189.1125586 5.228883333 HMDB0031478 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.4 0.0 M+FA-H C8H16O2 -4.6769979 Dihydrorotenone 395.1490953 5.228883333 43612 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H C23H24O6 -2.3141602 Tryptophyl-Lysine 377.1833014 5.246216667 85981 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M+FA-H C17H24N4O3 0.776457788 4-phenylbutanic acid-O-sulphate 289.0392755 5.2635 HMDB0059983 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C10H12O5S 2.164116426 6''-O-Malonylwistin 591.1364831 5.28065 93689 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Unclassified Unclassified 37.4 0.0 M+FA-H C26H26O13 1.719957087 1H-Indole-3-carboxaldehyde 144.0444097 5.331016667 HMDB0029737 Organoheterocyclic compounds Indoles and derivatives Indoles 3 C08493 37.4 4.74 M-H C9H7NO -7.429696155 S-Methyl 4-methylpentanethioate 291.1453492 5.428783333 94040 Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters 1 Unclassified 37.4 0.0 2M-H C7H14OS -1.528323041 Cucurbitacin D 561.3049395 5.512683333 HMDB0034695 Lipids and lipid-like molecules Steroids and steroid derivatives Cucurbitacins 1 C08796 37.4 1.74 M+FA-H C30H44O7 -3.809909036 Bis-(4-cyanophenyl)-methanol 233.0723867 5.52985 85080 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H C15H10N2O 1.495822733 2-Hydroxynicotine 223.1085126 5.546283333 6164 Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines 1 Unclassified 37.4 0.0 M+FA-H C10H14N2O -1.702932726 11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide 481.2233408 5.546283333 70243 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C24H33FO6 -2.24439008 Asparaginyl-Tryptophan 317.1241358 5.596366667 HMDB0028742 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.4 0.0 M-H C15H18N4O4 -4.378167063 Shikimate-3-phosphate 299.0162187 5.6128 3384 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C7H11O8P -4.480292082 Methicillin 379.0971625 5.6128 66601 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H C17H20N2O6S 0.60910983 7,4'-Dihydroxyflavone 7-glucoside 461.109727 5.679016667 LMPK12110024 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C21H20O9 1.90301738 S-Isopropyl 3-methylbut-2-enethioate 315.1455369 5.712733333 88389 Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters 1 Unclassified 37.4 0.0 2M-H C8H14OS -0.818637027 6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-6-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 739.1893005 5.729433333 HMDB0126410 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.4 0.0 M+FA-H C35H34O15 1.911976168 NS-5 255.0803864 5.813583333 71642 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H, 2M-H C11H16N2O3S -1.954661851 N-Phospho-D-lombricine 331.0226002 5.813583333 63424 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C6H16N4O9P2 3.399442515 Trimethaphan 346.1509667 5.847766667 HMDB0015248 Organoheterocyclic compounds Thienoimidazolidines Unclassified Unclassified C07174 37.4 0.0 M-H2O-H C22H25N2OS+ 0.132493515 N-Butylaniline 194.11797 5.864966667 512 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C10H15N -4.576101143 Quinupristin 1002.450287 5.899483333 HMDB0015455 Organic acids and derivatives Peptidomimetics Depsipeptides Unclassified C08032 37.4 29.4 M-H2O-H C53H67N9O10S -4.926687835 Acetylpseudotropine 228.1238523 5.899483333 64446 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C10H17NO2 -1.525620171 Dihydronaringenin-O-sulphate 335.0233871 5.933116667 HMDB0059996 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Unclassified Unclassified 37.4 0.0 M-H2O-H C15H14O8S 0.818469467 Prinomide 312.0994532 6.01945 68722 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C15H13N3O2 1.77344467 omega-Carboxy-N-acetyl-LTE4 556.2240099 6.036733333 69140 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C25H37NO8S 3.557984675 Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 637.1418715 6.087083333 HMDB0038847 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.4 0.0 M+FA-H C27H28O15 1.432786158 Sakuranetin 571.1576155 6.1032 HMDB0030090 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids 3 C09833 37.4 0.0 2M-H C16H14O5 -5.863980161 (-)-Maackiain-3-O-glucosyl-6''-O-malonate 577.1206298 6.293183333 64289 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C25H24O13 1.38341952 N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfoxy)cholan-24-yl]-Glycine 526.2485868 6.361283333 57987 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M-H2O-H C26H43NO9S 1.054472572 N-Methylnicotinamide 271.1189774 6.704116667 HMDB0003152 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Unclassified Unclassified 37.4 0.0 2M-H C7H8N2O -3.93911224 12-Hydroxydodecanoic acid 261.1707936 7.10455 6465 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified C08317 37.4 0.0 M+FA-H C12H24O3 0.213072153 Cichoralexin 293.1397216 7.139083333 92005 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.4 0.0 M+FA-H C15H20O3 1.104986007 Dibenzylsuccinate 595.231451 7.224516667 66626 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 2M-H C18H18O4 -3.84186625 Makisterone A 539.3229951 7.911433333 71399 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C28H46O7 0.886831794 Dihomoursodeoxycholic acid 465.3223983 8.296233333 LMST04020033 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 37.4 0.0 M+FA-H C26H44O4 0.560417284 N-Butyl-beta-carboline-3-carboxylate 313.1196916 8.330033333 69712 Unclassified Unclassified Unclassified Unclassified Unclassified 37.4 0.0 M+FA-H C16H16N2O2 1.159914044 Dihomochenodeoxycholic acid 465.3222613 8.80605 LMST04020032 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 37.4 0.0 M+FA-H C26H44O4 0.234451803 (23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone 851.5455259 8.9835 LMST03020599 Lipids and lipid-like molecules Sterol Lipids Secosteroids Unclassified Unclassified 37.4 0.0 2M-H C27H38O4 -1.427539891 6-Paradol 323.1865623 9.11285 68355 Benzenoids Phenols Methoxyphenols Unclassified C10482 37.4 0.0 M+FA-H C17H26O3 0.592290105 L-Gulonate 177.0395402 0.525516667 63144 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives 2 C00800 37.3 0.0 M-H2O-H C6H12O7 -4.699448908 2-Oxoarginine 218.0776516 0.654816667 7030 Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives 2 C03771 37.3 0.0 M-H, M+FA-H C6H11N3O3 -4.873136355 8-Propyloxycaffeine 251.1148681 0.654816667 96361 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H C11H16N4O3 -0.380064056 Poloxalene 327.2039907 0.654816667 43312 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 2M-H C7H16O4 4.719900554 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin 302.0730415 0.668933333 62809 Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Unclassified C05252 37.3 0.0 M-H2O-H C9H15N5O8 -3.674494638 Glutaminylalanine 216.0983504 0.682916667 HMDB0028790 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M-H, M+FA-H C8H15N3O4 -2.897851725 Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide 603.1786417 0.73875 70358 Benzenoids Pyrenes Unclassified 2 C14853 37.3 0.0 2M-H C20H14O3 -4.419887771 Cyclic dAMP 358.0562022 0.752666667 3441 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C10H12N5O5P 1.259051361 Aspartyl-Histidine 315.0947479 0.766866667 HMDB0028755 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M+FA-H C10H14N4O5 0.464409026 cis-2-Methylaconitate 187.024047 0.781 HMDB0006357 Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives 2 C04225 37.3 0.0 M-H C7H8O6 -4.066098784 4-(2-Benzofuranyl)pyridine 389.1314247 0.781 70186 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 2M-H C13H9NO 4.801731606 Asparaginyl-Cysteine 234.0554926 0.825966667 85643 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M-H C7H13N3O4S 0.391822721 Ethosuximide M3 glucuronide 394.0994899 0.825966667 2598 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C13H19NO10 1.120693523 AM1235 403.1472376 1.008516667 85063 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H, M-H C24H21FN2O3 1.085308977 beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose 413.130765 1.008516667 HMDB0038860 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.3 0.0 M-H, M+FA-H, 2M-H, M-H2O-H C15H26O13 1.691542886 Glutathione 306.0767974 1.05315 HMDB0000125 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 3 C00051 37.3 0.0 M-H C10H17N3O6S 0.871398759 (S)-malyl N-acetyl-alpha-D-glucosaminide 382.0996316 1.136383333 LMFA13010059 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 37.3 0.0 M+FA-H C12H19NO10 1.580827064 S-(Hydroxymethyl)glutathione 318.0763339 1.169433333 HMDB0004662 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C14180 37.3 0.0 M-H2O-H C11H19N3O7S -0.581128632 Valyl-Serine 203.1030677 1.271983333 86028 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M-H C8H16N2O4 -3.247718774 2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene 499.1229759 1.52805 HMDB0032670 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 37.3 0.942 2M-H C13H14O3S -4.955247008 2-Ethyl-3,(5 or 6)-dimethylpyrazine 271.191743 10.09958333 88321 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 37.3 0.0 2M-H C8H12N2 -3.957866338 (1(10)E,4E,6a,9b)-9-(2-Methylbutanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide 377.1973962 10.24855 HMDB0031374 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.3 0.0 M+FA-H C20H28O4 1.306390519 3a,7a-Dihydroxy-5b-cholestanate 377.2336872 10.24855 58179 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.3 0.0 M+FA-H C21H32O3 1.021727043 Diethylthiophosphate 339.0249372 10.36321667 6256 Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters Unclassified C06607 37.3 0.0 2M-H C4H11O3PS -3.205627818 Homodeoxycholic acid 465.2862796 11.28136667 LMST04070031 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 37.3 0.0 M+FA-H C25H40O5 1.19536032 Homovanillic acid sulfate 523.0219094 11.36535 HMDB0011719 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.3 0.0 2M-H C9H10O7S -0.49903752 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium 265.1481417 12.07761667 HMDB0033483 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Unclassified Unclassified 37.3 0.0 M-H2O-H C18H22NO2+ 3.26875089 Isoeugenol acetate 251.092398 14.2561 89734 Benzenoids Phenol esters Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C12H14O3 -0.481226384 Ethyl 3-oxohexanoate 203.0917827 2.6999 HMDB0031307 Organic acids and derivatives Keto acids and derivatives Beta-keto acids and derivatives Unclassified C02975 37.3 0.0 M+FA-H C8H14O3 -4.519512121 6-(Ethylthio)purine 359.0880938 2.717083333 70212 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 2M-H C7H8N4S 3.987006636 Propylthiouracil 215.0490376 2.8878 HMDB0014690 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C07569 37.3 0.0 M+FA-H C7H10N2OS -3.229516335 2-hydroxyhexanoylglycine 188.0920569 3.827983333 HMDB0094719 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M-H C8H15NO4 -4.096203047 PC(O-4:0/2:0)[U] 336.1567987 4.359316667 40152 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H C14H30NO7P -3.798398129 Propafenone glucuronide 562.2275089 4.359316667 2152 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C27H35NO9 -3.626326717 [2-hydroxy-6-methoxy-4-(prop-2-en-1-yl)phenyl]oxidanesulfonic acid 305.0340107 4.376566667 HMDB0135261 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.3 0.0 M+FA-H C10H12O6S 1.340994275 S-Succinylglutathione 406.0914865 4.376566667 65921 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H C14H21N3O9S -2.67085449 PC(O-6:0/0:0)[U] 340.1879903 4.428283333 40395 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H C14H32NO6P -4.272271508 Oxo-Ergotamine 640.238376 4.462783333 2572 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C33H33N5O6 -4.889950816 (2-benzyl-3-oxopropoxy)sulfonic acid 289.0391512 4.531583333 HMDB0133637 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C10H12O5S 1.654985994 4-(Trimethylammonio)but-2-enoate 188.0921418 4.6004 66118 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C7H13NO2 -4.820113337 1-hydroxyoct-6-enoylglycine 260.1143004 4.6004 HMDB0094736 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M+FA-H C10H17NO4 1.578218839 Corynoline 348.123254 4.61755 73576 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H C21H21NO5 -2.390432642 (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] 349.1518841 4.652083333 95673 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.3 0.0 M-H2O-H C15H28O10 4.014860412 2-{[hydroxy(2,3,4-trihydroxyphenyl)methylidene]amino}acetic acid 208.0246797 4.754983333 HMDB0130466 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M-H2O-H C9H9NO6 -2.053379448 N-(2-Phenylethyl)-acetamide 208.0973685 4.772233333 66516 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C10H13NO -3.362484567 Alanyl-Glutamic acid 199.0717919 4.789466667 HMDB0028686 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M-H2O-H C8H14N2O5 -2.927815769 LY255283 405.2144347 4.823433333 63069 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C19H28N4O3 0.252890269 3-(4-Hydroxyphenyl)-1-propanol 197.0813157 4.904883333 HMDB0032599 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Unclassified Unclassified 37.3 0.0 M+FA-H C9H12O2 -4.055324112 6-[(2-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 725.1946872 4.92155 HMDB0129584 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Unclassified Unclassified 37.3 0.0 M+FA-H C31H36O17 1.815186593 (8-{2-[(3-methylbut-2-enoyl)oxy]propan-2-yl}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl)oxidanesulfonic acid 469.0814207 4.972966667 HMDB0128922 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 37.3 0.0 M+FA-H C19H20O9S 0.977625092 Neryl rhamnosyl-glucoside 443.2288454 5.006433333 86210 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.3 0.0 M-H2O-H C22H38O10 0.409172863 Histidinyl-Glutamine 565.2507873 5.04015 85789 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 2M-H C11H17N5O4 3.453638385 Dolichyl diphosphate 325.0960176 5.05715 HMDB0001513 Lipids and lipid-like molecules Prenol lipids Polyprenols 2 C00621 37.3 0.0 M-H2O-H C12H26O7P2 -4.410326878 PC(9:0/0:0)[U] 378.2037673 5.07435 40335 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H C17H36NO7P -3.350066008 Benzidine 183.0920538 5.091566667 HMDB0041835 Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Unclassified C16444 37.3 0.0 M-H, 2M-H C12H12N2 -3.901071996 2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one 273.0553695 5.091566667 48444 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H C18H12O4 -1.192150757 CPX 349.1880707 5.1603 44518 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C16H24N4O2 -0.191165072 L-2-Amino-3-methylenehexanoic acid 188.0921693 5.1775 HMDB0030410 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.3 0.0 M+FA-H C7H13NO2 -4.627696016 6-Hydroxynicotine (S) 223.1084893 5.2635 1528 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C10H14N2O -1.833919457 5-Acetyl-2,3-dihydro-1,4-thiazine 285.0732288 5.28065 HMDB0034882 Organoheterocyclic compounds Thiazines 1,4-thiazines Unclassified Unclassified 37.3 0.0 2M-H C6H9NOS -1.623990854 Sulmazole 573.137158 5.28065 69680 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 2M-H C14H13N3O2S -2.196187473 Pirimiphos-methyl 609.1838054 5.28065 72211 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 2M-H C11H20N3O3PS -2.48516686 Met-Arg-Phe-Ala acetate salt 504.2394058 5.395966667 44690 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H C23H37N7O5S -0.843548857 N-(3-oxo-hexanoyl)-homoserine thiolactone 274.0758811 5.412316667 LMFA08020240 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.3 0.0 M+FA-H C10H15NO3S 1.806915539 WWL70 418.1546942 5.495933333 45314 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H C27H23N3O3 -3.216773847 D-Glycero-D-galacto-heptitol 423.1698326 5.579683333 HMDB0033750 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C08255 37.3 0.0 2M-H C7H16O7 -4.942912576 5,4'-Dimethoxyflavone 7-xylosyl-(1->6)-glucoside 637.1782827 5.596366667 LMPK12110958 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C28H32O14 1.476068503 N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine 544.2598254 5.6128 6726 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.3 0.0 M-H C26H43NO9S 2.290367963 Sulfometuron methyl 363.0760378 5.6454 68719 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H C15H16N4O5S -2.269795842 Sarisan 237.0764208 5.712733333 68361 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C11H12O3 -2.219518501 Oleandomycin 668.3997288 5.746233333 LMPK04000007 Lipids and lipid-like molecules Polyketides Macrolides and lactone polyketides 2 C01946 37.3 0.0 M-H2O-H C35H61NO12 -2.627967333 Ethyl 4-(methylthio)butyrate 207.069188 5.779983333 92462 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.3 0.0 M+FA-H C7H14O2S -2.872428592 Valaciclovir 369.155362 5.79705 HMDB0014716 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C07184 37.3 0.0 M-H, M+FA-H C13H20N6O4 2.369896304 BUDDLEOFLAVONOLOSIDE 637.1785203 5.79705 43969 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H, M+FA-H C28H32O14 1.330509524 1-Methoxy-1H-indole-3-acetonitrile 231.0772605 5.813583333 95415 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 37.3 0.0 M+FA-H C11H10N2O -1.372224375 Hallactone B 439.107268 5.847766667 67431 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H C20H24O9S 1.002219307 LysoPA(i-12:0/0:0) 335.1615712 6.002183333 HMDB0114763 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 37.3 0.0 M-H2O-H C15H31O7P -3.748471291 Methyprylon 228.1237984 6.0533 85468 Organoheterocyclic compounds Piperidines Piperidinones Unclassified Unclassified 37.3 0.0 M+FA-H C10H17NO2 -1.819740638 3-Mercaptoheptyl acetate 235.1008879 6.150533333 88399 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified Unclassified 37.3 0.0 M+FA-H C9H18O2S -0.34619614 Palmidin A 555.1295455 6.150533333 HMDB0034038 Benzenoids Anthracenes Unclassified Unclassified Unclassified 37.3 0.0249 M+FA-H C30H22O8 -0.245031977 2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol 253.1445086 6.167316667 91723 Organic oxygen compounds Organooxygen compounds Alcohols and polyols Unclassified Unclassified 37.3 0.0 M+FA-H C13H20O2 -0.116115195 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxytridecanoic acid 569.2794105 6.167316667 98334 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 37.3 0.0 M-H C25H46O14 -3.628405899 Glandulone C 293.139828 6.18385 94405 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.3 0.0 M+FA-H C15H20O3 1.533761844 2,4-Dimethylthiazole 225.0531028 6.229033333 HMDB0032974 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 37.3 0.0 2M-H C5H7NS 2.383298338 Geniposide pentaacetate 643.1886161 6.2608 69142 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C27H34O15 1.074674244 Theaspirone A 253.1445508 6.309916667 HMDB0035228 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.3 0.0 M+FA-H C13H20O2 0.086839333 2-PROPYL-3-HYDROXYETHYLENEPYRAN-4-ONE 225.0764635 6.32685 44404 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C10H12O3 -2.130417858 N-stearoyl glutamine 457.328876 6.32685 75512 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 37.3 0.0 M+FA-H C23H44N2O4 1.370877052 guaifenesin 179.0705655 6.361283333 4057 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 37.3 0.0 M-H2O-H C10H14O4 -4.050462758 Linopirdine 372.1488247 6.361283333 69701 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H C26H21N3O -4.592670027 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es 375.1201949 6.48195 1507 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H C18H20N2O7 1.117506907 Penicilloic G acid 351.101082 6.5497 1737 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H C16H20N2O5S -2.653520915 p-Hydroxyphenylbutazone glucuronide 481.1619627 6.653383333 1845 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H C25H28N2O9 0.646506435 Ergocornine 542.2798454 6.68735 67476 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H2O-H C31H39N5O5 4.573656656 3,5-DINITROCATECHOL (OR-486) 198.9987534 6.969433333 44188 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M-H C6H4N2O6 -4.530149809 Avocadene 1-acetate 373.2597349 6.986033333 LMFA05000640 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.3 0.0 M+FA-H C19H36O4 0.525291792 Hexyl hexanoate 245.1757179 7.224516667 89419 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.3 0.0 M+FA-H C12H24O2 -0.574484402 6Z-8-Hydroxygeraniol 8-O-glucoside 313.1659381 7.224516667 HMDB0035025 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.3 0.0 M-H2O-H C16H28O7 0.830859201 Compound V(S) 373.1776391 7.241033333 66416 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C19H24N2O3 2.265835405 Hexyl 3-mercaptobutanoate 249.1165693 7.360966667 LMFA07010907 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.3 0.0 M+FA-H C10H20O2S -0.168554848 7-O-Acetylaustroinulin 409.2597781 7.429233333 HMDB0036804 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.3 0.0 M+FA-H C22H36O4 0.591894813 6-Methylnicotinamide 299.1501307 7.5821 HMDB0013704 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Unclassified Unclassified 37.3 0.0 2M-H C8H10N2O -4.060437224 tetranor-12(S)-HETE 311.1866647 7.861816667 44857 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C16H26O3 1.003472183 Contignasterol 553.3388071 8.06085 73423 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C29H48O7 1.181103039 Edrophonium 331.2399909 8.262566667 HMDB0015145 Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Unclassified C06976 37.3 0.0 2M-H C10H16NO+ 2.675828939 Leontogenin 491.3019362 8.4971 89392 Organic oxygen compounds Organooxygen compounds Ethers 1 Unclassified 37.3 0.0 M+FA-H C27H42O5 1.140231826 7-hydroxyolanzapine 373.1328049 8.707533333 HMDB0060958 Benzenoids Phenol ethers Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C17H20N4OS -3.59694108 3,4-Dimethylethcathinone 409.286764 8.74035 96622 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 2M-H C13H19NO 1.735358604 3-hydroxypristanic acid 359.2805746 8.888216667 HMDB0061651 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 37.3 0.0 M+FA-H C19H38O3 0.880151356 N-AcetylCilastatin 445.1655253 9.448716667 786 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 M+FA-H C18H28N2O6S 1.286493988 2,5-Dimethyl-3-propylpyrazine 299.2229242 9.46565 HMDB0031841 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 37.3 0.0 2M-H C9H14N2 -3.984384321 Tetrahydroharmine 431.2442712 9.920116667 67548 Unclassified Unclassified Unclassified Unclassified Unclassified 37.3 0.0 2M-H C13H16N2O -2.264050189 Caulerpin 443.1261269 0.6128 71556 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H, M+FA-H C24H18N2O4 3.44613609 CDP-ethanolamine 445.0546045 0.626733333 3538 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides 2 C00570 37.2 0.0 M-H C11H20N4O11P2 3.363194241 L-Asp(4-L-Arg) 288.1315974 0.654816667 73391 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H C10H19N5O5 0.882215482 ALIZARIN 239.0340886 0.668933333 43807 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H C14H8O4 -3.723164753 beta-D-Xylopyranosyl-(1->3)-alpha-L-arabinofuranosyl-(1->3)-L-arabinose 459.1364213 0.73875 93490 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.2 0.0 M+FA-H C15H26O13 2.119009997 Acesulfame-K 207.9915851 0.752666667 73544 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C4H5NO4S -3.352351116 Threoninyl-Alanine 171.0765961 0.781 HMDB0029054 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M-H2O-H C7H14N2O4 -4.837963467 Uridine 2',3'-cyclic phosphate 305.0182951 0.781 HMDB0011640 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Cyclic pyrimidine nucleotides 2 C02355 37.2 0.0 M-H2O-H, M-H C9H11N2O8P 1.796599891 3-hydroxyhexanoylglycine 188.0920513 0.794916667 HMDB0094720 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M-H, M+FA-H C8H15NO4 -4.126163747 3-Sulfomuconate 220.9757061 0.89165 66487 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H C6H6O7S -1.986581611 cis-(Z)-Flupenthixol 415.1469757 1.008516667 68905 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C23H25F3N2OS 1.952497634 9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one 603.1786161 1.008516667 90140 Benzenoids Naphthalenes Phenylnaphthalenes Unclassified Unclassified 37.2 0.0 2M-H C20H14O3 -4.462288207 2-hydroxyoct-1-enoylglycine 214.1080136 1.120283333 HMDB0094738 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M-H C10H17NO4 -2.175430679 2-Furanylmethyl propanoate 199.0605563 1.22085 HMDB0037728 Organoheterocyclic compounds Heteroaromatic compounds Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C8H10O3 -4.158919139 4-Hydroxyphenyl acetate 197.0448861 1.271983333 HMDB0060390 Benzenoids Phenol esters Unclassified 2 C13636 37.2 0.0 M+FA-H C8H8O3 -4.346601269 Prolyl-Histidine 297.1192263 1.271983333 HMDB0029019 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M+FA-H C11H16N4O3 -4.826841185 Metanilic acid 218.0124013 1.322616667 66373 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C6H7NO3S -2.691565255 Phosphonoformyl-CMP 411.9962602 1.408 63581 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C10H15N3O12P2 2.331936926 (4-ethyl-2,6-dihydroxyphenyl)oxidanesulfonic acid 233.0122685 1.476633333 HMDB0128030 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.2 0.0 M-H C8H10O6S -1.1286855 Methylthio 2-(propanoyloxy)propanoate 221.0485216 1.493833333 94544 Organic acids and derivatives Thiocarboxylic acids and derivatives Thioesters Unclassified Unclassified 37.2 0.0 M+FA-H C7H12O3S -2.252217343 2-Methoxy-(3 or 5 or 6)-isopropylpyrazine 197.0925233 1.51095 88408 Organic oxygen compounds Organooxygen compounds Ethers Unclassified Unclassified 37.2 0.0 M+FA-H C8H12N2O -4.224629072 SULBACTAM 232.0282169 1.596533333 43333 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H C8H11NO5S -1.287864402 BENFOTIAMINE 447.0897742 1.75015 44331 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C19H23N4O6PS 0.049768767 2-Hydroxy-2-(2-oxopropyl)butanedioic acid 171.0290014 1.76715 HMDB0059927 Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Unclassified Unclassified 37.2 0.0 M-H2O-H C7H10O6 -4.712110754 L-Tropic acid 211.0606195 1.784016667 2400 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C9H10O3 -3.477957457 p-Hydroxyphenylacetothiohydroximate 228.0332346 1.784016667 64526 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C8H9NO2S -2.009434829 3-Methylbutyl 2-oxopropanoate 203.0917949 1.935616667 HMDB0038305 Organic acids and derivatives Keto acids and derivatives Alpha-keto acids and derivatives Unclassified Unclassified 37.2 0.0 M+FA-H C8H14O3 -4.44203395 Simetryn 425.2010813 10.1163 70077 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 2M-H C8H15N5S -2.992025378 Prednisolone tebutate 457.2573608 10.23256667 66843 Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids Unclassified C07369 37.2 0.0 M-H, M+FA-H C27H38O6 -4.804400378 [(2Z)-3-oxo-2-(phenylmethylidene)propoxy]sulfonic acid 483.0444368 10.57776667 HMDB0133624 Phenylpropanoids and polyketides Cinnamaldehydes Unclassified Unclassified Unclassified 37.2 0.0 2M-H C10H10O5S 3.975544753 Alginic acid 459.0086795 10.9787 HMDB0029940 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C01768 37.2 0.0 M-H, M+FA-H C12H16O12P2 -0.072000017 5-Ethyl-2E-undecen-4-one 241.180803 11.38188333 98241 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C13H24O -0.587565686 (Z)-8-Tetradecenal 255.1965819 11.79716667 HMDB0032526 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 37.2 0.0 M+FA-H C14H26O 0.064461963 Furoeremophilone 1 277.1447132 11.86216667 91303 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.2 0.0 M+FA-H C15H20O2 0.777230305 Metazocine 276.1606458 12.34285 69220 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C15H21NO 0.556292741 2-Acetylthiazole 253.0103687 15.8242 88863 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.2 0.0 2M-H C5H5NOS -2.851839837 AminoDHQ 170.0449387 2.31025 63733 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C7H11NO5 -4.985621976 3-O-Methyl-myo-inositol 175.0602905 2.3612 63284 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C7H14O6 -4.670969212 Lysyl-Glutamine 255.1461885 2.717083333 HMDB0028949 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M-H2O-H C11H22N4O4 -0.275706893 2-Deoxy-2-dimethylamino-alpha-D-Glucose 188.0920669 2.819566667 69286 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C8H17NO5 -3.691659237 Hydroxythiopental 303.1020521 2.819566667 2834 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C11H18N2O3S 0.138564879 5,6-Dihydroxyindole 194.0452206 2.990416667 7009 Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles 2 C05578 37.2 0.0 M+FA-H C8H7NO2 -4.432759964 Daphnoretin 333.0406236 4.085066667 67525 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C19H12O7 0.460160954 2,5-Dihydro-2,4,5-trimethylthiazole 257.1142229 4.18805 HMDB0038973 Organoheterocyclic compounds Azolines Thiazolines Unclassified Unclassified 37.2 0.0 2M-H C6H11NS -3.647154968 2-Methylpropyl 3-oxobutanoate 203.0918363 4.2563 HMDB0036395 Organic acids and derivatives Keto acids and derivatives Beta-keto acids and derivatives Unclassified Unclassified 37.2 0.0 M+FA-H C8H14O3 -4.180536119 xanthurenic acid 8-O-sulfate 283.9873292 4.376566667 HMDB0059741 Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Unclassified Unclassified 37.2 0.0 M-H C10H7NO7S 0.993230433 8-Oxocoformycin 281.089387 4.583133333 65737 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H C11H14N4O5 0.864378563 2-amino-4-({2-[(1-carboxy-2-hydroxy-1-methylpropyl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 468.1275979 4.583133333 HMDB0129122 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M+FA-H C15H25N3O9S -4.148583423 Leucyl-Methionine 261.1279358 4.634816667 85838 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M-H C11H22N2O3S 0.37648137 Herniarin 221.0448954 4.703683333 HMDB0029758 Phenylpropanoids and polyketides Coumarins and derivatives Unclassified Unclassified C09268 37.2 0.0 M+FA-H, 2M-H C10H8O3 -3.700938328 Calomelanol I 383.0922124 4.703683333 LMPK12140204 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.2 0.0 M-H2O-H C24H18O6 -0.70826392 OXYQUINOLINE 190.0502658 4.872816667 44006 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C9H7NO -4.832384384 OHOHA-PE 664.3437086 4.9385 LMGP20020042 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 37.2 0.0 M+FA-H C30H54NO10P -4.888735933 Octanoylglucuronide 365.1456259 4.955766667 HMDB0010347 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C03033 37.2 0.0 M+FA-H C14H24O8 0.953730091 PC(4:0/4:0)[U] 396.1781486 4.955766667 39957 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H C16H32NO8P -2.841524398 1-Methoxypyrene 277.0866277 5.006433333 HMDB0060324 Benzenoids Pyrenes Unclassified Unclassified C18259 37.2 0.0 M+FA-H C17H12O -1.681334897 L-2-Amino-4-(hydroxymethylphosphinyl)butanoate 361.0951577 5.023283333 66233 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 2M-H C5H12NO4P 4.543212943 N-Acetyl-L-2-amino-6-oxopimelate 276.0730735 5.05715 63452 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C9H13NO6 2.525013285 Dehydroepiandrosterone 3-glucuronide 509.237321 5.05715 HMDB0010348 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides 1 Unclassified 37.2 0.0 M+FA-H C25H36O8 -4.0926038 1,2-Benzisothiazol-3(2H)-one 196.0067742 5.1088 89917 Organoheterocyclic compounds Benzothiazoles Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C7H5NOS -4.062490296 3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid 181.0499461 5.143133333 HMDB0002643 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 37.2 0.0 M-H C9H10O4 -3.769746027 Tryptophyl-Valine 302.151386 5.1603 HMDB0029096 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M-H C16H21N3O3 1.223496473 1-hydroxyoct-7-enoylglycine 260.1145076 5.246216667 HMDB0094737 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.2 0.0 M+FA-H C10H17NO4 2.541415299 Berberrubine 303.0911611 5.297816667 86846 Alkaloids and derivatives Protoberberine alkaloids and derivatives Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C19H16NO4+ 3.319354323 Carboxyltolmetin Glucuronide 508.1099747 5.412316667 2875 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C21H21NO11 0.672339173 TMPD (hydrochloride) 209.1290608 5.479133333 63057 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C10H16N2 -2.989059905 Quinoline-3,4-diol 206.0453626 5.546283333 66369 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C9H7NO2 -3.221302681 Sarmentosin epoxide 290.0883208 5.562866667 66920 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H C11H17NO8 0.620950433 2-cis,6-trans,10-trans-Geranylgeranyl diphosphate 431.1756103 5.562866667 HMDB0060108 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 C11356 37.2 0.0 M-H2O-H C20H36O7P2 -0.389540256 4-(3-Pyridyl)-3-butenoic acid 208.060978 5.579683333 6236 Organoheterocyclic compounds Pyridines and derivatives Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C9H9NO2 -3.393742036 6-Phospho-2-dehydro-D-gluconate 254.9898579 5.6128 63129 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C6H11O10P -4.686619378 Tanakine 264.124419 5.661866667 HMDB0033430 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 37.2 0.0 M+FA-H C13H17NO2 1.31137383 4-Methylpyrrolo[1,2-a]pyrazine 263.129091 5.679016667 HMDB0033173 Organoheterocyclic compounds Pyrrolopyrazines Unclassified Unclassified Unclassified 37.2 0.0 2M-H C8H8N2 -4.274654749 Miraxanthin-V 345.1093978 5.712733333 64471 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H C17H18N2O6 0.542883757 Copalyl diphosphate 431.1750377 5.779983333 LMPR0104030002 Lipids and lipid-like molecules Prenol lipids Isoprenoids 2 C11901 37.2 0.0 M-H2O-H C20H36O7P2 -1.661339925 4,8-Dihydroxyquinoline 206.0453234 5.830633333 63549 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives 2 C05637 37.2 0.0 M+FA-H C9H7NO2 -3.464302007 Lophirone J 381.1128832 5.864966667 LMPK12140049 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.2 0.0 M-H2O-H C25H20O5 -0.873214614 (E)-Casimiroedine 462.1894312 5.9164 HMDB0030274 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C10577 37.2 0.0 M+FA-H C21H27N3O6 2.978735884 Thaumatin b, recombinant 424.1917303 6.036733333 HMDB0032529 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified Unclassified 37.2 0.0 M+FA-H C19H29N3O3S 1.489143642 Arabsin 311.1505225 6.199233333 91306 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.2 0.0 M+FA-H C15H22O4 1.918017243 3',4',5'-Trimethoxycinnamyl alcohol acetate 265.1082396 6.32685 HMDB0040891 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 37.2 0.0 M-H C14H18O5 0.346887669 alpha-methylphenylalanine 224.0924144 6.395766667 86102 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C10H13NO2 -2.32913805 methyl 10,13-dihydroxy-9-oxo-11-octadecenoate 387.2393554 6.584316667 LMFA01050150 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.2 0.0 M+FA-H C19H34O5 1.543755566 3-Dehydro-L-gulonate 6-phosphate 254.9898098 6.670466667 63132 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C6H11O10P -4.86222007 F-Amidine 293.1429964 6.771683333 96435 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H C14H19FN4O2 3.633202128 CAY10625 427.1796839 6.986033333 45600 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M-H2O-H C25H26N4O4 4.750582622 cis-3-Hexenyl cis-3-hexenoate 241.1443185 7.070033333 92995 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.2 0.0 M+FA-H C12H20O2 -1.092114233 CARBETAPENTANE 378.2288509 7.360966667 43477 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C20H31NO3 0.762857538 Torasemide 329.1066521 7.412033333 HMDB0014359 Organoheterocyclic compounds Pyridines and derivatives Pyridinesulfonamides Unclassified Unclassified 37.2 0.0 M-H2O-H C16H20N4O3S -3.212298827 Isohumulone A 407.2077505 7.548516667 86672 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.2 0.0 M+FA-H C21H30O5 0.617185534 Nordihydrocapsiate 339.1814604 7.615333333 HMDB0034779 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 37.2 0.0 M+FA-H C17H26O4 0.503953432 14-hydroxy-12Z-tetradecenoic acid 287.1866278 7.648166667 74557 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.2 0.0 M+FA-H C14H26O3 0.950496084 (-)-Myrtenyl isovalerate 281.1760042 7.845266667 HMDB0035127 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.2 0.0 M+FA-H C15H24O2 0.725232262 4-Phenyl-2-butyl acetate 237.1129838 7.92835 HMDB0031614 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C12H16O2 -1.294966986 6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine 267.1603555 7.99385 HMDB0037149 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 37.2 0.0 2M-H C8H10N2 -4.343133818 Lyciumoside I 611.3456584 8.110383333 HMDB0039577 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.2 0.0 M-H2O-H C32H54O12 3.12889016 Octahydro-6-isopropyl-2(1H)-naphthalenone 239.1650541 8.296233333 91204 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.2 0.0 M+FA-H C13H22O -1.102695758 Aniflorine 701.3121714 8.330033333 68450 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 2M-H C20H21N3O3 4.078920008 Carboxyltolmetin-3-glucuronide 508.1098926 8.34645 2877 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C21H21NO11 0.494978355 LARIXOL ACETATE 393.2649827 8.80605 43738 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C22H36O3 0.961445853 Ethyl menthane carboxamide 256.1917989 8.85545 HMDB0037834 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.2 0.0 M+FA-H C13H25NO -0.087134593 3,4-Dimethylpyrrolo[1,2-a]pyrazine 291.1604701 9.180233333 HMDB0030907 Organoheterocyclic compounds Pyrrolopyrazines Unclassified Unclassified Unclassified 37.2 0.0 2M-H C9H10N2 -3.594217385 PC(O-12:0/O-1:0) 484.3032794 9.482583333 40186 Unclassified Unclassified Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C21H46NO6P -2.727759503 Acetal R 253.1444897 9.550116667 91838 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 37.2 0.0 M+FA-H C13H20O2 -0.206755878 Nerolidyl acetate 309.2074036 9.634266667 94187 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.2 0.0 M+FA-H C17H28O2 1.02423086 Dihomohyodeoxycholic acid 465.3225466 9.93705 LMST04020036 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 37.2 0.0 M+FA-H C26H44O4 0.913129013 Liquid thiophthene 278.9442995 0.556983333 86441 Organoheterocyclic compounds Thienothiophenes Unclassified Unclassified Unclassified 37.1 0.0 2M-H C6H4S2 2.470748002 Pymetrozine 198.0777818 0.626733333 72391 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H2O-H C10H11N5O -3.395357803 Glutaminylhistidine 264.1088987 0.668933333 HMDB0028799 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.1 0.0 M-H2O-H C11H17N5O4 -4.6419734 URB937 399.155402 0.668933333 96641 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C20H22N2O4 -2.14038476 4-(sulfooxy)butanoic acid 182.9960165 0.710833333 HMDB0130134 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.1 0.0 M-H C4H8O6S -4.706736326 6-(2-carboxy-2-methylethoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 325.0781548 0.710833333 HMDB0126115 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.1 0.0 M+FA-H C10H16O9 1.855929653 3-Sulfinylpyruvic acid 196.9754441 0.73875 6222 Organic acids and derivatives Keto acids and derivatives Alpha-keto acids and derivatives 2 C05527 37.1 0.0 M+FA-H C3H4O5S -4.62586419 DL-Methionine sulfoxide 210.0437116 0.752666667 6428 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C02989 37.1 0.0 M+FA-H C5H11NO3S -2.759800899 Histidinyl-Glutamate 283.1037632 0.766866667 HMDB0028884 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.1 0.0 M-H C11H16N4O5 -3.625275345 Norophthalmic acid 256.0939014 0.781 HMDB0005766 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.1 0.0 M-H2O-H C10H17N3O6 0.02635341 Thymidine 3',5'-cyclic monophosphate 349.0446984 0.810033333 HMDB0001570 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives 2 C00364 37.1 0.0 M+FA-H C10H13N2O7P 1.506655189 Deoxyuridine monophosphate (dUMP) 307.0348396 0.942083333 3440 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C9H13N2O8P 3.778720346 2-Mercapto-2-methyl-1-pentanol 267.1464546 1.008516667 HMDB0032374 Organosulfur compounds Thiols Alkylthiols Unclassified Unclassified 37.1 0.0 2M-H C6H14OS 2.457147632 Methyl 4Z-octenoate 201.1125948 1.070166667 LMFA07010956 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.1 0.0 M+FA-H C9H16O2 -4.08563196 Oxamyl 218.0603048 1.120283333 72227 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C7H13N3O3S -0.82636665 carbenicillin 377.0814989 1.136383333 3946 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C06869 37.1 0.0 M-H C17H18N2O6S 0.57675209 Thyrotropin releasing hormone 407.1679241 1.136383333 44807 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C03958 37.1 0.0 M+FA-H C16H22N6O4 -1.468751177 Prosulfuron 464.0869974 1.152566667 68715 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C15H16F3N5O4S 3.065755023 Aconine 544.274342 1.169433333 73475 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C25H41NO9 -3.991223877 Pyrene 403.1474187 1.18665 HMDB0042002 Benzenoids Pyrenes Unclassified Unclassified C14335 37.1 0.0 2M-H C16H10 -4.46729098 Avenalumin II 278.0818366 1.22085 93566 Organoheterocyclic compounds Benzoxazines Unclassified Unclassified Unclassified 37.1 0.0 M-H C17H13NO3 -1.541585749 5-Methoxy-3-hydroxyanthranilate 182.0450575 1.322616667 69051 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C8H9NO4 -4.500290948 N-(2,3-Dihydroxybenzoyl)-L-serine 222.0403431 1.44235 66135 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H2O-H C10H11NO6 -1.878627786 2,2'-Bipyridylamine 216.0773703 1.57935 96352 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C10H9N3 -2.804924829 5-ethylbenzene-1,2,3-triol 199.0604683 1.75015 HMDB0125534 Benzenoids Phenols Benzenetriols and derivatives Unclassified Unclassified 37.1 0.0 M+FA-H C8H10O3 -4.729928005 2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid 208.0609633 1.76715 HMDB0126552 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.1 0.0 M-H C10H11NO4 -2.717103807 Salvianolic acid D 321.03992 1.76715 HMDB0041773 Organoheterocyclic compounds Benzoxepines Dibenzoxepines Unclassified Unclassified 37.1 0.555 M-H2O-H C18H12O7 -1.59276136 Mebeverine 474.2477989 10.23256667 1078 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C25H35NO5 -4.489758184 2,5-Diethyl-3-methylpyrazine 299.2229915 10.645 HMDB0036132 Organoheterocyclic compounds Diazines Pyrazines Unclassified Unclassified 37.1 0.0 2M-H C9H14N2 -3.760324818 Hydrocotarnine 266.1036234 10.77821667 HMDB0033701 Organoheterocyclic compounds Tetrahydroisoquinolines Unclassified Unclassified C13534 37.1 0.0 M+FA-H C12H15NO3 1.027341883 Nookatone 263.165448 10.87851667 HMDB0013687 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 37.1 0.0 M+FA-H C15H22O 0.824153235 [5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid 513.0360095 10.94586667 HMDB0132728 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.1 0.0 M-H C20H18O14S 3.034148969 4-keto myristic acid 287.1867045 11.0755 LMFA01060044 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.1 0.0 M+FA-H C14H26O3 1.267557588 3-Oxo-delta4-steroid 317.2123803 11.34856667 65524 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C19H28O 0.594634792 Cyclododecanone 227.1649321 11.87878333 87597 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.1 0.0 M+FA-H C12H22O -1.844858437 4Z-Tridecenal 241.1807414 12.42571667 LMFA06000170 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Unclassified Unclassified 37.1 0.0 M+FA-H C13H24O -0.901533823 Thiouracil 173.0021169 15.84125 73016 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C4H4N2OS -4.06015893 6-Phosphogluconic acid 257.0053605 15.87548333 HMDB0001316 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C00345 37.1 0.0 M-H2O-H C6H13O10P -5.186730877 p-Acetaminobenzoic acid 178.0501125 2.038133333 2830 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C9H9NO3 -4.770643706 Valproic acid glucuronide 365.1467059 2.055016667 HMDB0000901 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.1 0.0 M+FA-H C14H24O8 4.327105218 Hexobarbital 235.1085017 2.6829 HMDB0015444 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified C11723 37.1 0.0 M-H C12H16N2O3 -1.330831785 4-Aminobenzenesulfonate 218.0123044 3.212183333 66374 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C6H7NO3S -3.251465589 N-Benzyloxycarbonylglycine 208.0609613 4.273483333 66027 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C10H11NO4 -2.726965007 Methionyl-Isoleucine 261.1283531 4.411066667 HMDB0028976 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.1 0.0 M-H C11H22N2O3S 1.96841464 PC(0:0/7:0)[U] 350.172467 4.514416667 40362 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H2O-H C15H32NO7P -3.604727468 3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone 389.0521957 4.565966667 LMPK12113026 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C17H12O8 2.253876149 D-(+)-Neopterin 252.0733102 4.583133333 43211 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C9H11N5O4 -2.043807707 7-Hydroxymethyl-12-methylbenz[a]anthracene 317.1176648 4.6004 73230 Benzenoids Phenanthrenes and derivatives Unclassified 2 C19561 37.1 0.0 M+FA-H C20H16O -2.400380049 5alpha-pregnan-3beta,20alpha-diol disulfate 473.1064412 4.686483333 HMDB0094650 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids Unclassified Unclassified 37.1 0.0 2M-H C10H11N3O2S -1.429135258 WYE-354 989.4355545 4.703683333 96508 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 2M-H C24H29N7O5 -3.234106501 PC(O-2:0/O-1:0) 344.146195 4.7379 40239 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H, M+FA-H C11H26NO6P -4.95561602 Leukotriene C4-d5 609.3014517 4.772233333 96384 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H2O-H C30H40D5N3O9S 0.410752195 trans-p-Menthane-7,8-diol 7-glucoside 333.192154 4.806216667 89097 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.1 0.0 M-H C16H30O7 0.829362798 PC(2:0/2:0)[S] 340.1182741 4.823433333 39734 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C12H24NO8P 4.682088913 2,3,6,7-Tetrahydro-7-methylcyclopent[b]azepin-8(1H)-one 208.0974113 4.955766667 HMDB0039661 Organoheterocyclic compounds Azepines Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C10H13NO -3.100240554 Cyclopenta[cd]pyrene 271.0762913 5.1603 72906 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C18H10 -0.715917633 5-Acetyl-2,4-dimethylthiazole 200.0382111 5.1775 HMDB0041484 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 37.1 0.0 M+FA-H C7H9NOS -3.07486322 Salbutamol 4-O-sulfate 318.102187 5.194383333 HMDB0060604 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.1 0.0 M-H C13H21NO6S 1.582596444 1,4,5-Naphthalenetriol 221.0449669 5.363316667 HMDB0032883 Benzenoids Naphthalenes Naphthols and derivatives Unclassified Unclassified 37.1 0.0 M-H, M+FA-H C10H8O3 -4.973474774 2-trans,6-cis,10-trans-geranylgeranyl diphosphate 431.1753458 5.3795 53581 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 37.1 0.0 M-H2O-H C20H36O7P2 -0.976948383 Nithiazide 261.0294217 5.412316667 73162 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C6H8N4O3S -2.278849794 Fertaric acid 325.0568789 5.479133333 HMDB0029199 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 37.1 0.0 M-H C14H14O9 1.144756147 Sulprostone 464.1760668 5.512683333 45609 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C23H31NO7S 2.622464972 {[5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-1-yl]oxy}sulfonic acid 345.0653742 5.546283333 HMDB0132956 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 37.1 0.0 M+FA-H C13H16O6S 1.373506555 Biapenem 349.0964554 5.6128 68951 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C15H18N4O4S -3.268163884 Betaxolol(deaminated) 325.1298182 5.629433333 1321 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C15H20O5 1.933212757 Hydroxycitronellol 173.1540405 5.6454 LMFA05000666 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.1 0.0 M-H C10H22O2 -3.806707137 (25S)-5alpha-cholestan-3beta,4beta,6alpha,7alpha,8beta,15beta,16beta,26-octol 545.3338843 5.6454 83923 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C27H48O8 1.524757979 Archangin 303.0913497 5.661866667 HMDB0030616 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Unclassified Unclassified 37.1 3.41 M-H2O-H, M+FA-H C15H14O4 4.298390624 4'-Hydroxytrimethoprim 275.1140018 5.661866667 2962 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C13H16N4O3 -3.484382899 4-Hydroxybenzyl isothiocyanate 210.0225215 5.679016667 88541 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Unclassified Unclassified 37.1 0.0 M+FA-H C8H7NOS -3.127918415 Norquetiapine 276.095276 5.899483333 96331 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H2O-H C17H17N3S -4.07098369 DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER 313.108557 5.95035 43628 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H C18H18O5 1.304471971 2-Isopropyl-1,4-benzenediol 197.0812799 5.967566667 HMDB0032132 Benzenoids Benzene and substituted derivatives Cumenes Unclassified Unclassified 37.1 0.0 M+FA-H C9H12O2 -4.291061758 Curcumin 367.1181991 5.9849 HMDB0002269 Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids 1 C10443 37.1 0.0 M-H2O-H, M-H C21H20O6 -2.348045039 Sandoricin 633.2577551 5.9849 92412 Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Unclassified Unclassified 37.1 0.0 M+FA-H C31H40O11 4.23313329 Methionyl-Histidine 331.1091399 6.199233333 HMDB0028975 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.1 0.0 M+FA-H C11H18N4O3S 3.409621733 2-Formylaminobenzaldehyde 194.045209 6.309916667 6090 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C8H7NO2 -4.510876568 Methylthiomethyl hexanoate 221.0846845 6.32685 93024 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 37.1 0.0 M+FA-H C8H16O2S -3.516054817 (3-Hydroxyphenyl)trimethylammonium 196.0972214 6.344066667 1493 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C9H13NO -4.602992488 Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate 361.1509979 6.361283333 HMDB0035136 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.1 0.0 M+FA-H C15H24O7 1.872141498 4-n-Butylresorcinol 211.0970413 6.464716667 72163 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C10H14O2 -3.258376023 Fluprostenol isopropyl ester 481.2214738 6.464716667 45695 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M-H2O-H C26H35F3O6 1.482204742 N1-trans-Feruloylagmatine 305.1606853 6.515633333 HMDB0037107 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives 2 C18325 37.1 0.0 M-H C15H22N4O3 -4.013698215 2-Amino-3-methylbenzoate 196.0608417 6.567 71241 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives 2 C16571 37.1 0.0 M+FA-H C8H9NO2 -4.565882148 20,26-dihydroxyecdysone 495.2966455 6.721 LMST01010184 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 37.1 0.0 M-H C27H44O8 0.611602781 N,N-Didesmethyltramadol 280.1556415 7.002533333 HMDB0060849 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 37.1 0.0 M+FA-H C14H21NO2 0.891709365 (1S,2S,4R,5S,7S)-2,5,7-Fenchanetriol 2-O-b-D-glucoside 329.1607799 7.10455 89086 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.1 0.0 M-H2O-H C16H28O8 0.583529803 Etiocholanolone sulfate 415.1800529 7.258066667 LMST05020044 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 37.1 0.0 M+FA-H C19H30O5S 1.228939226 Epiandrosterone sulfate 415.1800266 7.463566667 HMDB0062657 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 37.1 0.0 M+FA-H C19H30O5S 1.157979519 Dihomomurideoxycholic acid 465.3221073 7.5821 LMST04020040 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 37.1 0.0 M+FA-H C26H44O4 -0.131825902 Lactaronecatorin A 295.1551859 7.861816667 92395 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.1 0.0 M+FA-H C15H22O3 0.35375713 p-tert-Amylphenol 209.117721 7.89455 69893 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C11H16O -3.637378136 3beta-Hydroxypregn-5-en-20-one sulfate 441.1957338 8.010616667 HMDB0060382 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 2 C18044 37.1 0.0 M+FA-H C21H32O5S 1.226214592 5(S),6(R)-Lipoxin A4 methyl ester 411.239266 8.044016667 45371 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C21H34O5 1.198399428 (R)-lavandulyl diphosphate 359.0672811 8.110383333 53273 Lipids and lipid-like molecules Prenol lipids Isoprenoids Unclassified Unclassified 37.1 0.0 M+FA-H C10H20O7P2 2.075955961 (3beta,5alpha,6alpha,7beta,14alpha,22E,24R)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol 489.3226331 8.245533333 HMDB0032691 Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids 1 Unclassified 37.1 0.0 M+FA-H C28H44O4 1.058615625 5b-Cholestane-3a,7a,12a,23R,25-pentol 497.3490077 8.296233333 LMST01010240 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C01571 37.1 0.0 M+FA-H C27H48O5 1.393133465 3,7-Dimethyl-2E,6-octadienoic acid 213.1126747 8.888216667 45790 Unclassified Unclassified Unclassified Unclassified Unclassified 37.1 0.0 M+FA-H C10H16O2 -3.318468312 Sulfolithocholic acid 911.5023303 9.263866667 HMDB0000907 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.1 0.0 2M-H C24H40O6S 0.533345616 10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid 353.2336229 9.869583333 LMFA01150005 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.1 0.0 M+FA-H C19H32O3 0.892677722 9-Decenoic acid 215.1282932 0.006233333 34521 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.0 0.0 M+FA-H C10H18O2 -3.464748906 Sodium dehydroacetate 171.0054335 0.682916667 94794 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.0 0.0 M-H2O-H C8H7NaO4 -4.885697296 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-hydroxypropanal 507.1530618 0.682916667 HMDB0128671 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 37.0 0.0 2M-H C12H14O6 4.451114854 L-Iduronate 2-sulfate 272.9926862 0.724833333 65910 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C6H10O10S 1.806947282 Lacto-N-biose I 428.1412076 0.724833333 HMDB0006575 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified C06372 37.0 0.0 M+FA-H C14H25NO11 0.637064665 Deacetoxycephalosporin C 713.1919476 0.724833333 64547 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 2M-H C14H19N3O6S 0.435938501 cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate 361.0725794 0.73875 72115 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C20H12O4 2.586797919 S-Formylglutathione 334.0713259 0.794916667 HMDB0001550 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01031 37.0 0.0 M-H C11H17N3O7S -0.353760377 S-(Formylmethyl)glutathione 348.086379 1.070166667 70375 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C14871 37.0 0.0 M-H C12H19N3O7S -2.049758138 Malic acid 115.0023659 1.120283333 HMDB0000156 Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives 3 C00149 37.0 0.0 M-H2O-H C4H6O5 -9.821238144 4-hydroxy-3-(sulfooxy)benzoic acid 232.9758847 1.120283333 HMDB0124993 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.0 0.0 M-H C7H6O7S -1.121470735 1,2,4-Triazolo[4,3-a]pyridine-2(3H)-propanoic acid, 3-oxo- 206.0565102 1.152566667 2901 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C9H9N3O3 -2.919699252 Gamma-glutamyl-Methionine 276.1025188 1.203633333 86047 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C10H19N3O4S 0.60671656 Cysteinyl-Aspartate 217.0285941 1.22085 85685 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.0 0.0 M-H2O-H C7H12N2O5S -1.090060014 catechol disulfonate 298.9538461 1.425116667 1832 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C6H6O7S2 0.585564989 3-Hydroxybenzaldehyde 167.034043 1.44235 65898 Unclassified Unclassified Unclassified 3 Unclassified 37.0 0.0 M+FA-H C7H6O2 -7.697177636 {2-methoxy-4-[(oxiran-2-yl)methyl]phenyl}oxidanesulfonic acid 305.0338156 1.51095 HMDB0135264 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 37.0 0.0 M+FA-H C10H12O6S 0.59072183 Isonocardicin C 467.1595663 1.596533333 71626 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H2O-H C23H26N4O8 4.820427926 Tetracenomycin B3 393.0613771 1.75015 63751 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C21H14O8 -0.542857815 Norfluoxetine 589.2312626 10.00316667 HMDB0060551 Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes Unclassified Unclassified 37.0 0.0 2M-H C16H16F3NO 2.950488013 9-Undecenal 213.1491086 10.44486667 92619 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.0 0.0 M+FA-H C11H20O -3.029988508 (Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide 415.0021381 10.74548333 88594 Organosulfur compounds Sulfoxides Unclassified Unclassified Unclassified 37.0 0.0 2M-H C7H12OS3 -1.542041297 SC-514 447.0086986 10.76183333 45240 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 2M-H C9H8N2OS2 0.81533696 Octulose-1,8-bisphosphate 399.0068684 10.79468333 157 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H2O-H, M-H C8H18O14P2 -3.622202515 Salithion 430.9954826 11.16521667 72740 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 2M-H C8H9O3PS 1.748890999 10-Undecen-2-one 213.1491308 11.39821667 LMFA12000157 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.0 0.0 M+FA-H C11H20O -2.898098349 Phenylpiperazine 323.2229878 11.43101667 96615 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 2M-H C10H14N2 -3.493507532 Glucose 6-phosphate 241.0102602 15.37275 HMDB0001401 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C00092 37.0 0.0 M-H2O-H C6H13O9P -6.219854511 2,3-Diketo-5-methylthio-1-phosphopentane 222.9830265 15.99553333 HMDB0060266 Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters 2 C15650 37.0 0.0 M-H2O-H C6H11O6PS -2.182199236 Zidovudine monophosphate 346.0569606 3.297633333 3068 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C10H14N5O7P 3.320850493 2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one 273.0552879 3.776633333 LMPK12110028 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H2O-H C18H12O4 -1.471698119 NH-Phe(NMe)-Gly-OMe 295.1293083 4.514416667 65480 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C13H18N2O3 -2.546536431 2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one 347.0918118 4.565966667 95854 Benzenoids Naphthalenes Phenylnaphthalenes Unclassified Unclassified 37.0 0.0 M+FA-H C20H14O3 -2.268727025 Adrenochrome o-semiquinone 180.0658462 4.634816667 HMDB0012883 Organoheterocyclic compounds Indoles and derivatives Unclassified Unclassified Unclassified 37.0 0.0 M-H C9H11NO3 -4.25543183 N-(4-hydroxyphenyl)ethoxycarbothioamide 242.0491812 4.652083333 HMDB0033179 Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Unclassified Unclassified 37.0 0.0 M+FA-H C9H11NO2S -0.361748037 Canavalioside 527.2479144 4.66925 91462 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.0 0.0 M-H2O-H C26H42O12 -3.425485249 (+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone 229.05379 4.7208 88425 Organosulfur compounds Thioethers Aryl thioethers Unclassified Unclassified 37.0 0.0 M+FA-H C9H12O2S -1.160180582 Cichorine 192.0658518 4.772233333 68402 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C10H11NO3 -3.961908987 (S)-Mandelic acid O-beta-D-Glucopyranoside 313.0933222 4.823433333 HMDB0038335 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.0 0.0 M-H C14H18O8 1.372634797 Isoprothiolane 271.0476651 5.05715 68852 Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Unclassified C11111 37.0 0.0 M-H2O-H C12H18O4S2 2.94835409 JWH 073 N-butanoic acid metabolite 402.1343039 5.1259 64917 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C23H19NO3 -1.098981346 3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)propanoic acid 285.0620502 5.143133333 HMDB0128682 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C11H12O6 1.912803027 2'-Hydroxy-3,7,8,4',5'-pentamethoxyflavone 433.1147586 5.211683333 LMPK12111611 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C20H20O8 1.90190136 Avermectin B1b 903.4747096 5.331016667 40984 Lipids and lipid-like molecules Polyketides Macrolides and lactone polyketides 2 C11967 37.0 0.0 M+FA-H C47H70O14 -0.05847373 4-octenoylglycine 180.1021558 5.34725 HMDB0094803 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.0 0.0 M-H2O-H C10H17NO3 -4.251358115 Trinexapac-ethyl 297.0982868 5.363316667 72347 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C13H16O5 1.230939638 Protionamide sulfoxide 391.1266612 5.46185 2180 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 2M-H C9H12N2OS -0.332480115 Lupinate 287.1251972 5.52985 64091 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H2O-H C13H18N6O3 -3.267043134 Ethyl gallate 179.0341796 5.629433333 89560 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 37.0 0.0 M-H2O-H C9H10O5 -4.053060731 Quercitrin 493.0995367 5.629433333 HMDB0033751 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides 3 C01750 37.0 0.0 M+FA-H C21H20O11 1.7237552 4-Acetyl-2-prenylphenol glucoside 365.1611004 5.6454 93007 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.0 0.0 M-H C19H26O7 1.430170427 Calafatimine 635.2732776 5.712733333 67637 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C38H40N2O7 -4.711074479 Ceforanide 564.1001395 5.729433333 HMDB0015059 Organoheterocyclic compounds Lactams Beta lactams Unclassified C06884 37.0 1.04 M+FA-H C20H21N7O6S2 4.745158822 N-Acetylaminooctanoic acid 200.1285992 5.813583333 HMDB0059745 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 37.0 0.0 M-H C10H19NO3 -3.071820494 Hoslundin 387.0871899 5.847766667 48588 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 37.0 0.0 M-H2O-H C23H18O7 -0.546364034 1-dimethylarsinoyl-octadecane 419.2515082 5.847766667 LMFA11000718 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 37.0 0.0 M+FA-H C20H43AsO 0.849229948 Glucoheptonic acid 225.0613968 5.864966667 3365 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C7H14O8 -0.859053902 Ephedrine 210.1130202 5.899483333 HMDB0015451 Benzenoids Benzene and substituted derivatives Phenylpropanes 2 C01575 37.0 0.0 M+FA-H C10H15NO -3.311420608 6-Formylindolo [3,2-B] carbazole 329.0934864 5.933116667 43424 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C19H12N2O 1.128241755 7-Methylpyrido[3,4-c]psoralen 232.0408477 5.9849 73152 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H2O-H C15H9NO3 1.775098418 Bisthiosemi 387.0759008 6.036733333 72878 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 2M-H C3H10N6S2 3.876816341 Dityrosine 359.1256985 6.0703 58352 Lignans, neolignans and related compounds Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C18H20N2O6 2.328386321 Delphinidin 3,7-diglucoside 607.1315538 6.134933333 47051 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H2O-H C27H30O17 1.749510485 Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside] 637.1417782 6.199233333 LMPK12111785 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 37.0 0.0 M+FA-H C27H28O15 1.27532468 6-Hydroxydelphinidin 3-rutinoside 607.1313772 6.2448 47196 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H2O-H C27H30O17 1.467480662 Minoxidil 417.2497841 6.293183333 1315 Organic nitrogen compounds Organonitrogen compounds Amines Unclassified Unclassified 37.0 0.0 2M-H C9H15N5O 4.160752406 3-(Acetylthio)-2-methylfuran 201.0219848 6.309916667 88237 Organosulfur compounds Thioethers Aryl thioethers Unclassified Unclassified 37.0 0.0 M+FA-H C7H8O2S -4.605734477 (1R,4R,5S)-5-Hydroxyfenchone glucoside 329.1607286 6.344066667 89091 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 37.0 0.0 M-H C16H26O7 0.460091792 3-(Methylthio)hexanal 191.0740226 6.5497 94721 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.0 0.0 M+FA-H C7H14OS -4.903977656 3,4-dimethyl-5-carboxybutyl-2-furanpentanoic acid 341.1605492 6.5497 LMFA01150062 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 37.0 0.0 M+FA-H C16H24O5 -0.092936769 2-Phenylethyl beta-D-glucopyranoside 283.11895 6.567 86524 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 37.0 0.0 M-H C14H20O6 0.838054132 3,7-Dimethyl-3-octene-1,2,6,7-tetrol 185.1175283 6.618816667 90470 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.0 0.0 M-H2O-H C10H20O4 -3.868552948 O-Ethyl S,S-diphenyl phosphorodithioate 291.0075605 6.771683333 HMDB0031781 Benzenoids Benzene and substituted derivatives Unclassified Unclassified C14436 37.0 0.889 M-H2O-H C14H15O2PS2 0.945839928 1-Acetylcyclohexyl acetate 183.1018488 6.9356 HMDB0039710 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 37.0 0.0 M-H C10H16O3 -4.44897287 4-Ethyl-5-pentyloxazole 212.1286105 6.9526 92670 Organoheterocyclic compounds Azoles Oxazoles Unclassified Unclassified 37.0 0.0 M+FA-H C10H17NO -3.629290869 Erucin 321.0593229 6.969433333 HMDB0033764 Organosulfur compounds Isothiocyanates Unclassified Unclassified Unclassified 37.0 0.0 2M-H C6H11NS2 0.051475293 Taurolithocholic acid 3-glucuronide 658.3271064 7.019183333 LMST05040009 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 37.0 0.0 M-H C32H53NO11S 0.683044979 Pterosterone 479.3017973 7.17355 67218 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H C27H44O7 0.770227919 (S)-Nororientaline 360.1456751 7.343833333 64412 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C18H21NO4 1.313926954 2beta-Hydroxytestosterone 349.2022263 7.360966667 HMDB0012654 Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids 2 C00550 37.0 0.0 M+FA-H C19H28O3 0.587258657 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate 457.2366311 7.394866667 HMDB0062312 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 37.0 0.0 M-H C23H39O7P 1.237929152 Lycoflexine 320.1868769 7.412033333 67983 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C17H25NO2 0.526690341 Misoprostol 367.2491186 8.262566667 1324 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 37.0 0.0 M-H, M+FA-H C21H36O5 0.328083947 Avocadene 4-acetate 373.2597331 8.363166667 LMFA05000642 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.0 0.0 M+FA-H C19H36O4 0.5196726 Cadabicilone 295.1552419 8.39665 HMDB0037559 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 37.0 0.0 M+FA-H C15H22O3 0.577353142 W146 323.1535494 8.44645 45167 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M-H2O-H C16H27N2O4P 1.597183398 Dihomohyocholic acid 481.317397 8.561033333 LMST04020034 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 37.0 0.0 M+FA-H C26H44O5 0.73244788 2,6-Dimethyl-7-octene-2,3,6-triol 187.1331862 8.772933333 LMFA05000610 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols 1 Unclassified 37.0 0.0 M-H C10H20O3 -4.155945268 cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene 221.0814724 8.789666667 69797 Unclassified Unclassified Unclassified Unclassified Unclassified 37.0 0.0 M+FA-H C11H12O2 -2.612717094 12-Methyltridecanoic acid 273.2074287 9.129733333 HMDB0031072 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 37.0 0.0 M+FA-H C14H28O2 1.295574425 PA(20:2(11Z,14Z)/0:0) 443.256625 9.380966667 82346 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Unclassified Unclassified 37.0 0.0 M-H2O-H C23H43O7P -0.376917126 6alpha-Glucuronosylhyodeoxycholate 567.3180944 9.397783333 LMST05010016 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified C11246 37.0 0.0 M-H C30H48O10 1.09642732 10-Isopropyl-2,7-dimethyl-1-oxaspiro[4.5]deca-3,6-diene 251.165189 9.617416667 HMDB0036024 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 37.0 0.0 M+FA-H C14H22O -0.38398548 Biotinyl-5'-AMP 554.1242796 9.838133333 HMDB0004220 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05921 37.0 0.0 M-H2O-H C20H28N7O9PS 2.508252417 Capraldehyde 201.1489047 9.853133333 LMFA06000052 Organic oxygen compounds Organooxygen compounds Carbonyl compounds 1 C12307 37.0 0.0 M+FA-H C10H20O -4.568722589 2-Propenyl hexanoate 201.1124797 0.2543 94743 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.9 0.0 M+FA-H C9H16O2 -4.823078045 Zinc dithionite 258.8726741 0.287983333 HMDB0034906 Homogeneous non-metal compounds Non-metal oxoanionic compounds Non-metal dithionites Unclassified Unclassified 36.9 0.0 2M-H H2O4S2 4.038290578 Hesperetin 347.0751319 0.696866667 HMDB0005782 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids 3 C01709 36.9 0.0 M+FA-H C16H14O6 -6.982108332 Prasugrel 418.1128889 0.696866667 HMDB0015625 Organoheterocyclic compounds Thienopyridines Unclassified Unclassified Unclassified 36.9 1.63 M+FA-H C20H20FNO3S -0.286027788 7-Methylxanthosine 297.0829883 0.710833333 64465 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H C11H14N4O6 -3.587505574 Methyl 2,6-dihydroxy-4-quinolinecarboxylate 437.0971456 0.710833333 HMDB0039387 Organoheterocyclic compounds Quinolines and derivatives Hydroxyquinolines Unclassified Unclassified 36.9 0.0 2M-H C11H9NO4 -4.322004296 Dianthalexin 220.0393316 0.73875 67008 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C14H9NO3 -4.477543987 Nizatidine-N-oxide 693.2104493 0.752666667 1588 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 2M-H C12H21N5O3S2 0.810460234 7-Hydroxy-6-methyl-8-ribityl lumazine 309.0831706 0.794916667 58232 Organoheterocyclic compounds Pteridines and derivatives Unclassified 2 C05995 36.9 0.0 M-H2O-H C12H16N4O7 -2.703973183 3-[4-(sulfooxy)phenyl]prop-2-enoic acid 289.002286 1.008516667 HMDB0128093 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acids Unclassified Unclassified 36.9 0.0 M+FA-H C9H8O6S -0.310762508 Forchlorfenuron 292.0501056 1.008516667 72403 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C12H10ClN3O 2.683813035 L-Djenkolic acid 299.0379144 1.008516667 44506 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C7H14N2O4S2 0.837004829 1-(Methylsulfanyl)-1-oxopropan-2-yl acetate 207.0327252 1.0224 HMDB0036204 Organic acids and derivatives Thiocarboxylic acids and derivatives Thioesters Unclassified Unclassified 36.9 0.0 M+FA-H C6H10O3S -3.349996484 Phenelzine sulfate 215.0493757 1.0224 66641 Benzenoids Benzene and substituted derivatives Unclassified Unclassified C07430 36.9 0.0 M-H2O-H C8H14N2O4S -0.90207639 3-Iodothyronamine 335.9889142 1.169433333 HMDB0060524 Benzenoids Benzene and substituted derivatives Diphenylethers Unclassified Unclassified 36.9 0.0 M-H2O-H C14H14INO2 -0.482591019 Ethalfluralin 314.0744994 1.254816667 72592 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C13H14F3N3O4 -3.902976584 Thiacremonone 205.0170129 1.374066667 91104 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.9 0.0 M+FA-H C6H8O3S -3.781078208 6,7-Dimethyl-8-(1-D-ribityl)lumazine 325.1157972 1.493833333 3455 Organoheterocyclic compounds Pteridines and derivatives Unclassified 2 C04332 36.9 0.0 M-H C13H18N4O6 1.346954214 DL-Dithiothreitol 307.0186041 1.851983333 4118 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 2M-H C4H10O2S2 4.666667955 phenylglycol 3-O-sulfate 215.001772 1.869 734 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C8H10O6S -0.837105048 3,3'-Thiobispropanoic acid 177.0218187 1.935616667 87455 Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Unclassified Unclassified 36.9 0.0 M-H C6H10O4S -4.969141393 Dihomo-alpha-muricholic acid 481.3175926 10.1669 LMST04020037 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 36.9 0.0 M+FA-H C26H44O5 1.180761184 (Z)-3,7-Dimethyl-2,6-octadienyl butyrate 269.1760554 10.23256667 LMFA07010626 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 36.9 0.0 M+FA-H C14H24O2 0.992603736 Aubergenone 281.1760872 10.36321667 91052 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.9 0.0 M+FA-H C15H24O2 1.076613492 p-Menthan-2-one 199.1333031 10.79468333 HMDB0035272 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.9 0.0 M+FA-H C10H18O -4.314014885 Methyl 7,10,13-hexadecatrienoate 309.2074255 10.81145 265059 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C17H28O2 1.107174198 PU-H71 493.0309465 10.9787 96497 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C18H21IN6O2S -0.693941039 10E-heptadecen-8-ynoic acid 245.1909106 11.0755 35136 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C17H28O2 -0.675398785 {4-[(E)-2-(2,3,5-trihydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid 647.0531801 11.1054 HMDB0128516 Phenylpropanoids and polyketides Stilbenes Unclassified Unclassified Unclassified 36.9 0.0 2M-H C14H12O7S -0.448837455 Cammaconine 452.2656987 11.13415 67101 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C23H37NO5 0.791868939 Risperidone 455.2114711 11.6979 2348 Organoheterocyclic compounds Pyridopyrimidines Unclassified Unclassified C06861 36.9 0.0 M+FA-H C23H27FN4O2 3.568658833 Phosfolan 509.0236346 11.73116667 72762 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 2M-H C7H14NO3PS2 0.719910226 Blue pigment 231.0053963 14.38413333 63889 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C10H6N2O6 2.605769683 Pyridoxal Phosphate 246.0184498 15.80705 235 Organoheterocyclic compounds Pyridines and derivatives Pyridine carboxaldehydes 2 C00018 36.9 0.0 M-H C8H10NO6P 4.665729378 cis-3-(1-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol 183.0654699 2.055016667 69046 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H C9H12O4 -4.414218886 2-Oxo-5-methylthiopentanoic acid 207.0326734 2.140333333 64490 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C6H10O3S -3.669632484 PKODiA-PI 721.3173312 2.446016667 LMGP20050008 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.9 0.0 M-H2O-H C33H57O16P -4.3898863 3-Hydroxyphenyllactate 181.0498229 2.547683333 HMDB0029232 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 36.9 0.0 M-H C9H10O4 -4.446203903 7-Isothiocyanato-1-heptene 309.1458614 4.30795 93125 Organosulfur compounds Isothiocyanates Unclassified Unclassified Unclassified 36.9 0.0 2M-H C8H13NS -1.94435399 Topiramate 320.0812255 4.376566667 HMDB0005034 Organoheterocyclic compounds Dioxolopyrans Unclassified Unclassified C07502 36.9 0.0 M-H2O-H C12H21NO8S 0.822828601 Calomelanol D 415.0822684 4.393816667 LMPK12111991 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.9 0.0 M-H C24H16O7 -0.139538474 Fluoxetine 290.1152203 4.445533333 24047 Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes Unclassified Unclassified 36.9 0.0 M-H2O-H C17H18F3NO -3.194099022 5,7-Dihydroxyflavone 253.0501055 4.48 HMDB0036619 Phenylpropanoids and polyketides Flavonoids Flavones 3 C10028 36.9 0.0 M-H C15H10O4 -2.073813418 Ritodrine glucuronide 2 508.1804247 4.531583333 2358 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C23H29NO9 -4.338792847 Ethyl 3-(methylthio)butanoate 207.0692575 4.66925 92848 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.9 0.0 M+FA-H C7H14O2S -2.443535654 4-Phenylbutyl glucosinolate 432.0787494 4.66925 HMDB0038415 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.9 0.869 M-H2O-H C17H25NO9S2 -1.070308148 (S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione 179.081795 4.7379 95540 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.9 0.0 M-H C9H12N2O2 -4.476884548 Procarbazine 266.1514465 4.772233333 HMDB0015299 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified C07402 36.9 0.0 M+FA-H C12H19N3O 1.950796262 Normetanephrine sulfate 244.0284983 4.806216667 1595 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C9H13NO6S -0.070998351 Tryptophol [xylosyl-(1->6)-glucoside] 500.1786539 4.8565 95287 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.9 0.0 M+FA-H C21H29NO10 2.866887151 Histidinyl-Phenylalanine 347.1357798 4.9385 85798 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.9 0.0 M+FA-H C15H18N4O3 -1.037669967 Nerolidyl diphosphate 363.1116663 4.9385 LMPR0103010003 Lipids and lipid-like molecules Prenol lipids Monoterpenoids Unclassified C09871 36.9 0.0 M-H2O-H C15H28O7P2 -3.975273438 Ascorbigen 350.0893133 4.955766667 HMDB0029839 Organoheterocyclic compounds Furofurans Isosorbides Unclassified Unclassified 36.9 0.0 M+FA-H C15H15NO6 3.845372309 MAM2201 N-(4-hydroxypentyl) metabolite 370.1620144 4.9897 85212 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C25H24FNO2 1.922765702 4-Hydroxyvoriconazole 410.1068352 4.9897 HMDB0060894 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 36.9 0.0 M+FA-H C16H14F3N5O2 -3.634748652 (1x,2x)-Guaiacylglycerol 2-glucoside 357.1209552 5.07435 89157 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.9 0.0 M-H2O-H C16H24O10 4.916721446 3-O-Methylisoproterenol Sulfate 304.0865091 5.1775 856 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H C12H19NO6S 1.564242997 2-{[hydroxy(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]amino}acetic acid 314.052302 5.1775 HMDB0128732 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.9 0.0 M+FA-H C11H11NO7 2.03474274 5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside 641.1734702 5.228883333 52597 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C27H32O15 1.92393733 5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside 611.1631342 5.2635 LMPK12113044 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C26H30O14 2.429900462 Prunin 6''-O-gallate 631.1291938 5.28065 LMPK12140244 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Unclassified Unclassified 36.9 0.0 M+FA-H C28H26O14 -2.157577222 Benomyl 271.1191106 5.315033333 HMDB0031767 Organoheterocyclic compounds Benzimidazoles 2-benzimidazolylcarbamic acid esters Unclassified C10896 36.9 0.0 M-H2O-H C14H18N4O3 -3.235609171 N-isopropylterephthalamic acid 206.0817286 5.34725 HMDB0060608 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.9 0.0 M-H C11H13NO3 -2.59907295 4-Ethyl-5-propylthiazole 309.1454426 5.395966667 HMDB0040064 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 36.9 0.0 2M-H C8H13NS -3.29463994 Gelsedine 373.1776121 5.46185 73469 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C19H24N2O3 2.183396559 3-Quinolinecarboxylic acid, 7-amino-1-ethyl-6-fluoro-1,4-dihydro-4-oxo- 231.0567818 5.479133333 1605 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C12H11FN2O3 -2.989138844 Cinnamoside 499.2208403 5.479133333 HMDB0038923 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.9 0.0 M-H2O-H C24H38O12 4.543783452 Bz-Arg-OEt 305.160758 5.546283333 65629 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H C15H22N4O3 -3.77620003 beta-D-Glucopyranosyl anthranilate 280.0828735 5.579683333 95901 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.9 0.0 M-H2O-H C13H17NO7 0.71114888 Camoensine 275.1407318 5.6454 68555 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C14H18N2O 2.675419116 BIFONAZOLE 291.1276202 5.661866667 43556 Benzenoids Benzene and substituted derivatives Diphenylmethanes Unclassified Unclassified 36.9 0.0 M-H2O-H C22H18N2 -4.956553946 5,7,4'-Trihydroxyflavanone 7-O-arabinosylglucoside 547.1467438 5.661866667 LMPK12140249 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H2O-H C26H30O14 1.818011522 Pyropheophorbide a 579.2616413 5.712733333 63917 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H, M+FA-H C33H34N4O3 -3.123691671 1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone 393.169376 5.779983333 HMDB0037298 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 36.9 0.0 M-H C24H26O5 -3.479460032 (S)-3-Mercaptohexyl pentanoate 435.260413 5.779983333 93556 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.9 0.0 2M-H C11H22O2S -0.945521579 4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside 505.1721845 5.847766667 52083 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H C25H30O11 1.282385047 Vomicine 759.3378322 5.847766667 67556 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 2M-H C22H24N2O4 -2.769626199 Androsterone sulfate 415.1804021 5.95035 HMDB0002759 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 36.9 0.566 M+FA-H C19H30O5S 2.172292269 11-KETOROCKOGENIN ACETATE 575.3207838 5.967566667 44214 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C31H46O7 -3.342965142 (6E,8R,10Z)-8-hydroxy-3-oxohexadecadienoic acid 327.1815654 6.0703 HMDB0062365 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 36.9 0.0 M+FA-H C16H26O4 0.897373763 Palmitoleoyl 3-carbacyclic Phosphatidic Acid 775.4656125 6.1032 44868 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 2M-H C20H37O5P -3.64837456 U 0521 179.070544 6.515633333 70934 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H C10H12O3 -4.574843882 tetranor-PGJM 309.1347183 6.68735 96506 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M-H, M+FA-H C16H22O6 1.149018284 4'-Hydroxy-5,7-dimethoxy-8-methylflavan 599.2630913 6.9526 LMPK12020275 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 2M-H C18H20O4 -3.249413627 3,4-Dimethyl-5-pentyl-2-furanpentanoic acid 311.1866939 7.412033333 HMDB0112085 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 36.9 0.0 M+FA-H C16H26O3 1.113414779 Annosquamosin B 353.2335964 7.412033333 HMDB0031379 Lipids and lipid-like molecules Prenol lipids Diterpenoids 1 Unclassified 36.9 0.0 M+FA-H C19H32O3 0.806655601 Isolubimin 281.1759668 7.51425 HMDB0035648 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.9 0.0 M+FA-H C15H24O2 0.567241461 (1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol 185.1175268 7.6642 HMDB0039053 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.9 0.0 M-H2O-H C10H20O4 -3.875758951 17a-Aza-D-homoandrost-5-en-3beta-ol 334.2390365 7.845266667 70457 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C19H31NO 0.93010973 22-deoxy-20,21-dihydroxyecdysone 479.3019183 7.944666667 LMST01010186 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.9 0.0 M-H C27H44O7 1.022126445 w Hydroxy testosterone 349.2022429 8.094133333 HMDB0060089 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C05294 36.9 0.0 M+FA-H C19H28O3 0.642075872 Rhazidigenine Nb-oxide 359.1986123 8.514016667 86843 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 36.9 0.0 M+FA-H C19H26N2O2 3.123176744 7-methoxy-dodec-4-enoic acid 273.1710185 8.561033333 96773 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.9 0.0 M+FA-H C13H24O3 1.187878113 Dicyclomine 354.2652064 8.690833333 HMDB0014942 Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Unclassified C06951 36.9 0.0 M+FA-H C19H35NO2 0.724910994 Oxymetholone 377.2336263 8.707533333 43293 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C21H32O3 0.838341867 TMC-1C 583.2680999 8.920833333 LMFA08020205 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 36.9 0.189 M+FA-H C30H38N2O7 3.707231054 Dihomo-beta-muricholic acid 481.3173573 8.9835 LMST04020038 Lipids and lipid-like molecules Sterol Lipids Bile acids and derivatives Unclassified Unclassified 36.9 0.0 M+FA-H C26H44O5 0.641508583 Tumonoic Acid F 428.2655697 9.11285 65397 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 M+FA-H C21H37NO5 0.50508433 Girgensonine 431.2440992 9.213683333 68154 Unclassified Unclassified Unclassified Unclassified Unclassified 36.9 0.0 2M-H C13H16N2O -2.661932755 Bornyl butyrate 269.1760083 9.617416667 HMDB0038246 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.9 0.0 M+FA-H C14H24O2 0.782428098 (1S,2S,4R,8R)-p-Menthane-1,2,9-triol 187.1332158 9.733716667 94042 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.9 0.0 M-H C10H20O3 -3.998350022 PIP(16:0/20:3(5Z,8Z,11Z)) 985.5027618 9.95385 61313 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositol phosphates 1 Unclassified 36.9 0.0 M-H, M+FA-H C45H82O16P2 -3.722262483 Oxomemazine 375.1386115 0.6128 HMDB0240230 Organoheterocyclic compounds Benzothiazines Phenothiazines Unclassified Unclassified 36.8 0.105 M-H, M+FA-H C18H22N2O2S 1.492163222 Nocardicin D 466.1236812 0.682916667 71627 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H2O-H C23H23N3O9 -3.930809587 (2Z)-2-[(sulfooxy)methyl]but-2-enoic acid 176.9854543 0.781 HMDB0129117 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.8 0.0 M-H2O-H C5H8O6S -4.405838682 2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid 258.991965 0.87485 HMDB0125409 Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives Unclassified Unclassified 36.8 0.0 M-H C9H8O7S 0.64568757 1,2-Epoxy-3,4-butanediol 4-methanesulfonate 227.0227936 1.008516667 749 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H, M+FA-H C5H10O5S -4.353944947 trans-S-(1-Propenyl)-L-cysteine 206.0487069 1.008516667 86269 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M+FA-H C6H11NO2S -3.387241833 2-hydroxy-3-[4-(sulfooxy)phenyl]propanoic acid 261.0075775 1.008516667 HMDB0132291 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.8 0.0 M-H C9H10O7S 0.497174965 15-dimethylarsinoyl pentadecanoic acid 343.1621823 1.070166667 LMFA00000027 Lipids and lipid-like molecules Fatty Acyls Other Fatty Acyls Unclassified Unclassified 36.8 0.0 M-H2O-H C17H35AsO3 -0.532964498 Diaminomethylpteroic acid (DAMPA) 370.1271779 1.136383333 740 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C15H15N7O2 0.775872895 Epinephrine sulfate 244.0283603 1.18665 58061 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.8 0.0 M-H2O-H C9H13NO6S -0.595787312 7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone 333.1127636 1.390916667 LMPK12050050 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H2O-H C21H20O5 -1.331890771 Meta-Tyrosine 180.0657353 1.681866667 96284 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M-H C9H11NO3 -4.867999884 (3beta,5alpha,9alpha,14alpha,22E,24R)-3,5,9,14-Tetrahydroxyergosta-7,22-dien-6-one 505.3176523 10.2003 HMDB0032690 Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids 1 Unclassified 36.8 0.0 M+FA-H C28H44O5 1.249061449 b-D-Glucopyranuronic acid 516.1506679 10.47818333 2769 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.8 0.0 M+FA-H C22H24F3NO7 4.198840456 O-Desmethylvenlafaxine glucuronide 392.1695093 11.06006667 HMDB0061172 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H2O-H C20H29NO8 -4.782519901 Uridine diphosphate glucose 565.0494125 11.09066667 HMDB0000286 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine nucleotide sugars 2 C00029 36.8 0.0 M-H C15H24N2O17P2 2.947347564 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid 551.0326269 11.1054 HMDB0136072 Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Unclassified Unclassified 36.8 0.0 M+FA-H C21H14O15 2.280954052 1-Methyl-2-n-hexylbenzene 221.1542545 11.59783333 HMDB0061826 Benzenoids Benzene and substituted derivatives Toluenes Unclassified Unclassified 36.8 0.0 M+FA-H C13H20 -2.548710779 (3beta,5alpha,6alpha,7beta,22E,24R)-5,6-Epoxyergosta-8(14),22-diene-3,7-diol 473.3275267 13.0709 HMDB0032863 Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids 1 Unclassified 36.8 0.0 M+FA-H C28H44O3 0.65028363 3',5'-Cyclic Inosine monophosphate (cIMP) 311.0198954 2.0037 3460 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H2O-H C10H11N4O7P 3.639459882 Cysteinyl-Hydroxyproline 215.0490869 2.15735 85690 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M-H2O-H C8H14N2O4S -2.135946743 2,4-Dihydroxyacetophenone 5-sulfate 230.9965255 2.49695 HMDB0041646 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.8 0.0 M-H C8H8O6S -1.539056931 Dihydrochelirubine 362.1029893 2.5646 64387 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H C21H17NO5 -1.120582463 Ethionine 208.064326 3.280733333 68928 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C6H13NO2S -3.535708319 Fluazifop butyl 428.1312344 3.827983333 68784 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C19H20F3NO4 -3.683362424 Diflunisal 249.037943 4.222283333 HMDB0014999 Benzenoids Benzene and substituted derivatives Biphenyls and derivatives Unclassified C01691 36.8 0.0 M-H C13H8F2O3 4.274619832 (1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside 393.1781809 4.376566667 HMDB0033645 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.8 0.0 M+FA-H C16H28O8 4.480941832 Tricyclazole 377.066225 4.497216667 HMDB0031809 Organoheterocyclic compounds Benzotriazoles Triazolobenzothiazoles Unclassified C18492 36.8 0.0 2M-H C9H7N3S 3.610336571 Hawkinsin 290.0708255 4.7208 HMDB0002354 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M-H C11H17NO6S 1.524363488 PC(8:0/0:0)[U] 364.188292 4.7379 40333 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H2O-H C16H34NO7P -3.016401214 Desmethylflumazenil (Ro 15-5528) 270.0677506 4.754983333 2728 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H2O-H C14H12FN3O3 -2.344330086 Phenylalanyl-Histidine 301.1295209 4.823433333 HMDB0028997 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M-H C15H18N4O3 -3.617995052 Dibutyl disulfide 355.1625918 4.8565 HMDB0029569 Organosulfur compounds Organic disulfides Dialkyldisulfides Unclassified Unclassified 36.8 0.0 2M-H C8H18S2 -0.328175324 2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone 180.1022154 4.9385 HMDB0039784 Organoheterocyclic compounds Dihydrofurans Furanones Unclassified Unclassified 36.8 0.0 M-H C10H15NO2 -4.344605784 8-Oxodiacetoxyscirpenol 425.143527 4.972966667 HMDB0037056 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.8 0.0 M+FA-H C19H24O8 -4.718226749 Coriose 419.1387193 5.1088 73263 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 2M-H C7H14O7 -4.545528019 Karbutilate 324.1568657 5.1259 72240 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C14H21N3O3 1.330166873 PS(O-16:0/12:0) 710.4584367 5.1603 LMGP03020001 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines Unclassified Unclassified 36.8 0.0 M+FA-H C34H68NO9P -4.411261516 Mecarbinzid 289.0756543 5.211683333 72702 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H2O-H C13H16N4O3S -2.648479422 Granisetron metabolite 3 373.1876306 5.246216667 3147 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C18H24N4O2 -1.518253496 (3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside 415.1981228 5.28065 HMDB0036822 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.8 0.0 M+FA-H C19H30O7 2.070845073 Artomunoxanthentrione 425.1032105 5.297816667 HMDB0037913 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 36.8 0.0 M-H2O-H C26H20O7 0.334603568 beta-D-Glucopyranosyl-11-hydroxyjasmonic acid 387.1672338 5.331016667 94506 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.8 0.0 M-H C18H28O9 3.034103779 Pelargonidin 3-lathyroside 609.1471331 5.412316667 46775 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C26H28O14 1.816329546 3,4,5,6-Tetrahydrohippuric acid 182.0813818 5.46185 HMDB0061679 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M-H C9H13NO3 -4.833708782 Biotripyrrin-b 510.1885511 5.512683333 6882 Organoheterocyclic compounds Pyrroles Substituted pyrroles Unclassified Unclassified 36.8 0.0 M+FA-H C25H27N3O6 0.779447639 PE(12:0/0:0) 378.2040714 5.52985 40779 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 36.8 0.0 M-H2O-H C17H36NO7P -2.584436768 Alnustone 261.1284939 5.546283333 87844 Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Unclassified Unclassified 36.8 0.0 M-H C19H18O 0.019716783 Dihydroroseoside 369.1923998 5.6454 HMDB0040614 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.8 0.0 M-H2O-H C19H32O8 1.347133264 S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate 263.0962343 5.679016667 92582 Organic acids and derivatives Thiocarboxylic acids and derivatives Thioesters Unclassified Unclassified 36.8 0.0 M+FA-H C10H18O3S 1.677959308 9-oxo-2Z-decenoic acid 183.101892 5.712733333 LMFA01060083 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.8 0.0 M-H C10H16O3 -4.214726797 Farnesyl pyrophosphate 363.1123075 5.864966667 HMDB0000961 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 2 C00448 36.8 0.0 M-H2O-H C15H28O7P2 -2.297190879 4-Methylnonacosane 843.9591843 5.9164 95359 Hydrocarbons Saturated hydrocarbons Alkanes Unclassified Unclassified 36.8 0.0 2M-H C30H62 -4.548421743 PC(2:0/0:0)[U] 280.094214 5.9849 40310 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H2O-H C10H22NO7P -4.458420482 2'-Hydroxy-2,3,4',6'-tetramethoxychalcone 389.1250525 5.9849 LMPK12120206 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C19H20O6 2.502643661 PI(18:2(9Z,12Z)/0:0) 641.293095 6.0533 81175 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Unclassified Unclassified 36.8 0.0 M+FA-H C27H49O12P -2.132264729 (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside 553.1934063 6.118816667 HMDB0038710 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C25H32O11 1.459254114 Loxtidine 340.2129692 6.229033333 69234 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H2O-H C19H29N5O2 -3.660305701 2-(4-Methyl-5-thiazolyl)ethyl isobutyrate 258.0806321 6.447483333 88446 Organoheterocyclic compounds Azoles Thiazoles Unclassified Unclassified 36.8 0.0 M+FA-H C10H15NO2S 0.372956022 19-Hydroxytetrangulol 365.0679369 6.499 63757 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C19H12O5 3.938411024 p-Mentha-1(6),8-dien-3-ol 197.1176183 6.601566667 90156 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.8 0.0 M+FA-H C10H16O -4.59934711 Diacetoxyscirpenol 411.1656941 6.618816667 67870 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C09662 36.8 0.0 M+FA-H C19H26O7 -0.988411415 (2-methyl-3-phenylpropoxy)sulfonic acid 211.0428958 6.721 HMDB0133674 Benzenoids Benzene and substituted derivatives Phenylpropanes Unclassified Unclassified 36.8 0.0 M-H2O-H C10H14O4S -2.360196593 Acetylvalerenolic acid 337.1658947 6.771683333 90950 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.8 0.0 M+FA-H C17H24O4 0.795888446 1-(2-methoxy-hexadecanyl)-sn-glycero-3-phosphoethanolamine 450.2977552 6.9356 LMGP02060016 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 36.8 0.0 M-H2O-H C22H48NO7P -2.64883783 Distichonic acid B 275.0876453 7.05285 93405 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.8 0.0 M-H2O-H C10H18N2O8 -2.818982454 Asiaticoside 1003.513488 7.156283333 70897 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 C15428 36.8 0.0 M-H, M+FA-H C48H78O19 0.455081531 16a-Hydroxyandrost-4-ene-3,17-dione 347.1866188 7.326583333 HMDB0006774 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 2 C05140 36.8 0.0 M+FA-H C19H26O3 0.731959766 Feruloylagmatine 305.160639 7.5821 72156 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H C15H22N4O3 -4.164730401 Prostaglandin F1a 401.2546885 7.648166667 HMDB0002685 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 C06475 36.8 0.0 M+FA-H C20H36O5 0.593228091 5Z,8Z-tetradecadienoic acid 269.1760499 7.89455 73932 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M+FA-H C14H24O2 0.968088969 5-Pentyl-2-furanoctanoic acid 325.2022634 8.177383333 HMDB0112098 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 36.8 0.0 M+FA-H C17H28O3 0.76991891 Isopeopyl Paraben 179.0705455 8.31295 85078 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H C10H12O3 -4.5666065 3-Methyl-5-pentyl-2-furanheptanoic acid 325.2022124 8.545833333 HMDB0112095 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 36.8 0.0 M+FA-H C17H28O3 0.587938298 2-hydroxy-nonadecanoic acid 359.2806052 8.707533333 74501 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.8 0.0 M+FA-H C19H38O3 0.977607863 N-hexanoyl-homoserine lactone 180.1021742 9.163383333 LMFA08030025 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 36.8 0.0 M-H2O-H C10H17NO3 -4.158954374 CI Orange G 450.9634158 9.651383333 73075 Unclassified Unclassified Unclassified Unclassified Unclassified 36.8 0.0 M-H C16H10N2Na2O7S2 -3.958173887 5-Heptyl-3-methyl-2-furanpentanoic acid 325.2022654 9.6845 HMDB0112087 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Unclassified Unclassified 36.8 0.0 M+FA-H C17H28O3 0.777167565 5-Oxooctadecanoic acid 343.2491214 9.885933333 HMDB0034074 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.8 0.0 M+FA-H C18H34O3 0.414292418 Citronellyl isovalerate 285.2073629 9.920116667 93565 Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters 1 Unclassified 36.8 0.0 M+FA-H C15H28O2 0.957161763 2-Acetyl-4,5-dihydrothiazole 257.0435784 9.93705 HMDB0033561 Organoheterocyclic compounds Azolines Thiazolines Unclassified Unclassified 36.8 0.0 2M-H C5H7NOS 4.59263195 Dihydro-4-mercapto-5-methyl-3(2H)-thiophenone 146.9945739 0.056116667 HMDB0039797 Organoheterocyclic compounds Dihydrothiophenes Unclassified Unclassified Unclassified 36.7 0.0 M-H C5H8OS2 1.307347151 (-)-Blebbistatin 273.104315 0.570933333 45431 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C18H16N2O2 3.349235677 Oxydisulfoton 271.0041246 0.668933333 72760 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C8H19O3PS3 -4.924884671 Clitidine 5'-phosphate 331.0344428 0.73875 66968 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C11H15N2O9P 2.191851246 Thiomorpholine 3-carboxylate 192.0328878 0.781 66076 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C03901 36.7 0.0 M+FA-H C5H9NO2S -4.860286122 (3-oxo-1-phenylpropoxy)sulfonic acid 275.023412 0.858483333 HMDB0135297 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C9H10O5S 1.368193153 6-Thioinosinic acid 265.0398116 1.008516667 HMDB0060791 Nucleosides, nucleotides, and analogues Purine nucleosides Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C10H12N4O4S -0.961608343 Allithiamine 353.1095347 1.008516667 87924 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 36.7 0.0 M-H C15H22N4O2S2 -4.537466076 Acrimarine H 558.1793065 1.05315 HMDB0038599 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines Unclassified Unclassified 36.7 0.0577 M+FA-H C30H27NO7 4.582023595 3,4,3'-Tri-O-methylellagic acid 325.0348465 1.120283333 68618 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C17H12O8 -1.539649735 AG-370 239.0594676 1.22085 45281 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C15H8N5 -2.56340356 Gonyautoxin II 440.085231 1.271983333 HMDB0033507 Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Unclassified 1 C16856 36.7 0.0 M+FA-H C10H17N7O8S 2.775509516 N-Desethylquinagolide sulfate 446.1420379 1.51095 2214 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C18H29N3O6S2 -1.036178362 Kinobscurinone 287.0345698 1.96955 63769 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C18H10O5 -1.347963902 7-hydroxy-10E-Heptadecen-8-ynoic acid 325.202259 10.00316667 LMFA01031066 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.7 0.0 M+FA-H C17H28O3 0.754397443 3'-UMP 369.0354764 10.00316667 HMDB0060282 Nucleosides, nucleotides, and analogues Ribonucleoside 3'-phosphates Unclassified 2 C01368 36.7 0.0 M+FA-H C9H13N2O9P 4.34165186 alpha-hydroxysalmeterol 476.2634614 10.00316667 HMDB0061045 Benzenoids Benzene and substituted derivatives Benzyl alcohols Unclassified Unclassified 36.7 0.0 M+FA-H C25H37NO5 -4.439893455 15(S)-HETrE 367.2492212 11.26455 36268 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C20H34O3 0.693197407 Androsterone Enanthate 447.3121252 11.38188333 73560 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C26H42O3 1.310334238 3-(4-hydroxyphenyl)-2-(sulfooxy)propanoic acid 523.0209909 11.54785 HMDB0132292 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 36.7 0.0 2M-H C9H10O7S -2.251751092 PA(0:0/16:0) 455.2421748 11.68135 LMGP10050042 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 2 C00416 36.7 0.0 M+FA-H C19H39O7P 1.539812799 Smilagenone 459.3120772 12.67371667 HMDB0036941 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.7 0.0 M+FA-H C27H42O3 1.156541855 (R)-3-Hydroxy-5-phenylpentanoic acid 193.0862646 14.2561 87733 Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Unclassified Unclassified 36.7 0.0 M-H C11H14O3 -3.880921164 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone 201.0219744 2.49695 88371 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.7 0.0 M+FA-H C7H8O2S -4.672067775 AFP 07 (free acid) 393.1883019 2.648933333 96511 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C22H30F2O5 0.030352234 BENTAZON 285.0551594 3.00735 44591 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C10H12N2O3S 0.388554459 2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole 267.0963516 3.297633333 69104 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C16H16N2S 0.777732186 3-HYDROXY-3',4'-DIMETHOXYFLAVONE 343.0817194 3.297633333 44439 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C17H14O5 -2.036508547 3-Deazaneplanocin A 261.098107 4.445533333 64841 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C12H14N4O3 -4.604739637 2-Hydroxynevirapine 281.1043886 4.497216667 85303 Benzenoids Benzene and substituted derivatives Phenylbutylamines 2 C16608 36.7 0.0 M-H C15H14N4O2 -0.037873257 Methyl 5-(1-Propynyl)-2-thiophenepropanoate 189.0379022 4.514416667 HMDB0034759 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.7 0.0 M-H2O-H C11H12O2S -0.275186718 Discadenine 303.156271 4.6004 64088 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C14H20N6O2 -4.032400052 N4-Acetylsulfadimidine 319.086032 4.6004 2530 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C14H16N4O3S -3.133371385 Z-Gly-Pro-Leu-Gly-Pro 572.27319 4.634816667 65925 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C28H39N5O8 1.052206913 PIRENPERONE 785.3616728 4.686483333 44422 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 2M-H C23H24FN3O2 -1.985381313 N-Methyl-1H-indole-3-propanamide 201.1027782 4.772233333 88683 Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Unclassified Unclassified 36.7 0.0 M-H C12H14N2O -2.7630871 PC(6:0/0:0)[U] 336.1569504 4.789466667 40329 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C14H30NO7P -3.371342516 6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine 327.1114585 4.823433333 96296 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C16H16N4O4 4.815134902 (1S,2S,4R,8S)-p-Menthane-1,2,8,9-tetrol 2-glucoside 411.1889168 4.9897 94516 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.7 0.0 M+FA-H C16H30O9 4.728116992 6-bromo-heneicosa-5E,9Z-dienoic acid 399.1895289 5.023283333 LMFA01090099 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.7 39.4 M-H C21H37BrO2 -2.216942149 Zierin 292.0830502 5.1603 66923 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C14H17NO7 1.251867001 (S)-Lisofylline 261.1344042 5.363316667 45572 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H2O-H C13H20N4O3 -4.623282085 Myricanene B 5-[arabinosyl-(1->6)-glucoside] 679.263251 5.412316667 93929 Phenylpropanoids and polyketides Diarylheptanoids Cyclic diarylheptanoids Unclassified Unclassified 36.7 0.0 M+FA-H C32H42O13 3.952220784 3-(5'-Methylthio)pentylmalic acid 249.0803878 5.44555 64502 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C10H18O5S 0.677916101 2,8-Dihydroxy-3,9,10-trimethoxypterocarpan 391.1043858 5.495933333 48158 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C18H18O7 2.687110293 Coumestrol 249.0191989 5.52985 LMPK12090018 Phenylpropanoids and polyketides Isoflavonoids Coumestans Unclassified C10205 36.7 0.0 M-H2O-H C15H8O5 -0.497305144 1,2-Disinapoylgentiobiose 753.225989 5.562866667 86898 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.7 0.0 M-H C34H42O19 1.639200021 Umbelliprenin 365.2115778 5.679016667 HMDB0030597 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.7 0.0 M-H C24H30O3 -1.749267179 Lansine 226.0504846 5.763166667 86807 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 36.7 0.0 M-H C13H9NO3 -2.123475103 Apigenin 4'-(2''-feruloylglucuronosyl)-(1->2)-glucuronide 797.1586079 5.9164 LMPK12110405 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.7 0.0 M-H C37H34O20 1.930505464 LY171883 317.1606799 5.95035 43454 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C16H22N4O3 -3.879093114 2-hydroxy-3-[3-(4-hydroxy-3-methylbut-2-en-1-yl)-4-(sulfooxy)phenyl]propanoic acid 345.0652271 5.9849 HMDB0133270 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.7 0.0 M-H C14H18O8S 0.765874804 Zanthobisquinolone 407.1260451 6.087083333 95251 Organoheterocyclic compounds Quinolines and derivatives Hydroxyquinolines Unclassified Unclassified 36.7 0.0 M+FA-H C21H18N2O4 3.272689291 dCMP 288.0403362 6.229033333 HMDB0001202 Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine deoxyribonucleotides 2 C00239 36.7 0.0 M-H2O-H C9H14N3O7P 4.041291279 beta-Lactose 341.1066103 6.447483333 HMDB0041627 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 3 C01970 36.7 0.0 M-H C12H22O11 -6.795293942 Bismurrayaquinone A 419.1021719 7.05285 95239 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 36.7 0.0 M-H C26H16N2O4 -3.710200095 (10S)-Juvenile hormone III diol 329.1971523 7.121783333 64605 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C16H28O4 0.668791278 Acetylbalchanolide 337.1660228 7.548516667 91728 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.7 0.0 M+FA-H C17H24O4 1.234534461 avocadene acetate 373.2597045 7.861816667 LMFA05000715 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 36.7 0.0 M+FA-H C19H36O4 0.432567918 1,2-Dioctanoyl-sn-glycerol 389.2548791 8.094133333 414 Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1 Unclassified 36.7 0.0 M+FA-H C19H36O5 1.167634123 Latanoprost ethyl amide 462.2851645 8.126933333 45716 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C25H39NO4 -2.269771036 inokosterone 479.3018287 8.296233333 57639 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified C08819 36.7 0.0 M-H C27H44O7 0.835779045 6-Gingesulfonic acid 339.1272352 8.3801 HMDB0038999 Benzenoids Phenols Methoxyphenols Unclassified Unclassified 36.7 0.0 M-H2O-H C17H26O6S 0.186451592 (25S)-5alpha-cholestan-3beta,6alpha,8,15beta,16beta,26-hexol 513.3435826 8.44645 LMST01010340 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C27H48O6 0.620185026 Glycerophospho-N-Arachidonoyl Ethanolamine 500.2786244 8.545833333 45331 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M-H C25H44NO7P 0.720962165 16alpha-Hydroxydehydroepiandrosterone 349.2020938 9.046583333 LMST02020064 Lipids and lipid-like molecules Sterol Lipids Steroids 2 C05139 36.7 0.0 M+FA-H C19H28O3 0.151897365 Lysyl-Histidine 328.1622338 9.196983333 HMDB0028953 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.7 0.0 M+FA-H C12H21N5O3 -1.442961235 Pitheduloside F 1089.549967 9.247383333 HMDB0034866 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.7 0.0 M-H, M+FA-H C52H84O21 0.71051867 Myristoleic Acid methyl ester 285.2073783 9.651383333 44859 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C15H28O2 1.020980669 Methandriol dipropionate 461.291361 9.7173 70222 Unclassified Unclassified Unclassified Unclassified Unclassified 36.7 0.0 M+FA-H C26H40O4 1.197225554 Camalexin 199.0329271 0.654816667 HMDB0038631 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 36.6 0.0 M-H C11H8N2S -3.078170601 Tebupirimfos 317.1102184 0.682916667 72470 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M-H C13H23N2O3PS 2.497689667 Aziprotryne 449.1530766 0.781 72841 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 2M-H C7H11N7S 2.275318417 b-D-Glucuronopyranosyl-(1->3)-a-D-galacturonopyranosyl-(1->2)-L-rhamnose 515.1258324 0.781 HMDB0039728 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.6 0.0 M-H C18H28O17 0.890064148 3-[3-(Sulfooxy)phenyl]propanoic acid 291.0183423 0.89165 HMDB0094710 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.6 0.0 M+FA-H C9H10O6S 1.342758866 8-Mercapto-p-menthan-3-one 167.0903006 0.99305 92304 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.6 0.0 M-H2O-H C10H18OS 1.641586794 Medicagol 341.0296909 1.008516667 HMDB0033831 Phenylpropanoids and polyketides Isoflavonoids Coumestans Unclassified Unclassified 36.6 0.0 M+FA-H C16H8O6 -2.026666854 Thiazopyr 395.0863326 1.169433333 HMDB0037058 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives Unclassified Unclassified 36.6 0.0 M-H C16H17F5N2O2S 1.310585523 Pyrocatechol sulfate 188.9855335 1.390916667 1829 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.6 0.0 M-H C6H6O5S -4.128222275 11-keto pentadecanoic acid 301.202276 10.083 LMFA01060048 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.6 0.0 M+FA-H C15H28O3 0.891384844 Nitroglycerine 452.9993059 10.77821667 1578 Organic oxygen compounds Organic oxoanionic compounds Organic nitrates Unclassified C07455 36.6 0.0 2M-H C3H5N3O9 3.13844227 2,3 or 10-Mercaptopinane 339.2179135 10.79468333 88404 Lipids and lipid-like molecules Prenol lipids Monoterpenoids 1 Unclassified 36.6 0.0 2M-H C10H18S -1.91997421 2-Naphthaleneacetic acid, 6-(sulfooxy)- 563.0327565 11.56451667 1381 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 2M-H C12H10O6S 0.735537377 3-Oxo-5beta-steroid 319.2280427 11.64801667 65837 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C19H30O 0.635354095 8,11-Heptadecadienal 295.2279908 12.25998333 95742 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 1 Unclassified 36.6 0.0 M+FA-H C17H30O 0.489097487 Bentiromide 449.1352175 2.020966667 HMDB0014663 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.6 0.0 M+FA-H C23H20N2O5 -0.512520809 trans-3,3',4',5,5',7-Hexahydroxyflavanone 365.0514644 2.598383333 HMDB0030835 Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids 3 Unclassified 36.6 0.0 M+FA-H C15H12O8 0.137984138 4-Sulfocatechol 188.9855087 3.280733333 66486 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M-H C6H6O5S -4.258718701 1-aminopyrene 262.0867894 3.759516667 96142 Benzenoids Pyrenes Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C16H11N -2.592496259 Orciprenaline-3-O-sulfate 272.0600546 4.359316667 HMDB0060609 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.6 1.38 M-H2O-H C11H17NO6S 0.815852892 5-Acetyl-4-methylthiazole 186.0223993 4.445533333 1876 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C6H7NOS -4.527272906 Prulaurasin 340.1040937 4.514416667 90382 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.6 0.0 M+FA-H C14H17NO6 1.028610764 Letrozole 330.098549 4.565966667 43225 Benzenoids Benzene and substituted derivatives Diphenylmethanes Unclassified C08163 36.6 0.0 M+FA-H C17H11N5 -3.855516616 PKOOA-PI 769.338743 4.565966667 LMGP20050006 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.6 0.0 M+FA-H C33H57O15P -4.096997338 7-Aminoclonazepam 284.0598979 4.686483333 HMDB0041817 Organoheterocyclic compounds Benzodiazepines 1,4-benzodiazepines Unclassified Unclassified 36.6 2.63 M-H C15H12ClN3O 0.998515442 PC(0:0/5:0) 386.1574614 4.703683333 LMGP01050091 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 36.6 0.0 M+FA-H C13H28NO7P -3.166624976 flumethasone pivalate 539.2479829 4.7208 4030 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Unclassified Unclassified 36.6 0.0 M+FA-H C27H36F2O6 3.610960018 2,4-dimethylbenzene-1,3,5-triol 199.0605948 4.955766667 HMDB0126617 Benzenoids Phenols Benzenetriols and derivatives Unclassified Unclassified 36.6 0.0 M+FA-H C8H10O3 -3.909374423 {[1-(4-methoxyphenyl)-4-methyl-3-oxopentyl]oxy}sulfonic acid 347.0809973 4.972966667 HMDB0132961 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 36.6 0.0 M+FA-H C13H18O6S 1.27480365 Isofumonisin B1 702.3692089 5.1775 HMDB0032719 Organic acids and derivatives Carboxylic acids and derivatives Fumonisins Unclassified Unclassified 36.6 0.0 M-H2O-H C34H59NO15 -1.968651932 3-Hydroxypromazine glucuronide 457.1438356 5.28065 2144 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M-H2O-H C23H28N2O7S -0.095689652 PA(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 741.4532244 5.297816667 LMGP10010394 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 36.6 0.0 M-H C43H67O8P 4.236015772 (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid 345.1921544 5.315033333 LMFA01170075 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified C04529 36.6 0.0 M-H C17H30O7 0.801570762 5-Hydroxy-7,8,2',3'-tetramethoxyflavone 5-glucoside 565.156922 5.46185 49718 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C25H28O12 1.235753259 alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile 235.0874939 5.546283333 70406 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M-H C15H12N2O -0.816271371 3-(1-Carboxyvinyloxy)anthranilate 204.0296713 5.562866667 73296 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M-H2O-H C10H9NO5 -2.510723966 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside 359.1352904 5.696233333 HMDB0034626 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.6 0.0 M-H C16H24O9 1.48410492 Fenpyroximate 466.1966937 5.696233333 68839 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C24H27N3O4 -3.954327983 {[(1E)-1-(4-methoxyphenyl)pent-1-en-3-yl]oxy}sulfonic acid 317.0702515 5.712733333 HMDB0132998 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 36.6 0.0 M+FA-H C12H16O5S 0.749896874 Epoxyfumitremorgin C 392.1619752 5.813583333 HMDB0038643 Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Unclassified Unclassified 36.6 0.0 M-H C22H23N3O4 1.005565854 S-(3-Methyl-2-butenyl) ethanethioate 189.0583862 5.9849 87874 Organic acids and derivatives Thiocarboxylic acids and derivatives Thioesters Unclassified Unclassified 36.6 0.0 M+FA-H C7H12OS -4.877833747 alhpa-tocopheronic acid 341.1608134 6.036733333 53843 Lipids and lipid-like molecules Prenol lipids Quinones and hydroquinones Unclassified Unclassified 36.6 0.0 M+FA-H C16H24O5 0.79904896 Autumnolide 325.1298237 6.167316667 67619 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C15H20O5 1.952990817 Nadolol 354.192574 6.18385 HMDB0015334 Benzenoids Tetralins Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C17H27NO4 1.173224011 8'-Hydroxydihydroergotamine 598.2675726 6.18385 2261 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M-H C33H37N5O6 0.776054209 2-Phenethylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamine 681.1964042 6.199233333 69100 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 2M-H C18H19N3S2 -0.58426129 Artonol C 481.1653705 6.2142 49954 Organoheterocyclic compounds Benzopyrans 1-benzopyrans Unclassified Unclassified 36.6 0.0 M-H2O-H C30H28O7 -0.583045777 14-carboxy-15,16,17,18,19,20-hexanor-leukotriene E3 386.1281953 6.309916667 LMFA03020052 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.6 0.0 M-H C17H25NO7S 0.771297481 S-Adenosylmethioninamine 709.3032046 6.32685 HMDB0000988 Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides 5'-deoxy-5'-thionucleosides 2 C01137 36.6 0.0 2M-H C14H23N6O3S+ 0.016555224 Inulicin 353.1610484 6.344066667 67737 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C17H24O5 1.530723284 Oxmetidine 398.1281456 6.430283333 HMDB0041970 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified C11803 36.6 0.0 M-H C19H21N5O3S -2.72708425 Eremopetasitenin C3 455.1751878 6.5497 88699 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.6 0.0 M+FA-H C21H30O6S 1.646361767 Hippurin-1 565.3388239 6.5497 84246 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.6 0.0 M+FA-H C30H48O7 1.186147475 15-methyl-15S-PGE1 413.2551357 6.63605 LMFA03010056 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.6 0.0 M+FA-H C21H36O5 1.788374383 4'-N-desmethylolanzapine 343.1221235 6.68735 HMDB0060959 Organoheterocyclic compounds Benzodiazepines Unclassified Unclassified Unclassified 36.6 1.93 M+FA-H C16H18N4S -4.350515607 Isopentyl gentiobioside 457.1909614 6.7381 HMDB0041512 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.6 0.0 M+FA-H C17H32O11 -4.132242371 Diplodiatoxin 353.1972284 6.90235 87705 Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives Unclassified Unclassified 36.6 0.0 M+FA-H C18H28O4 0.863533581 4-Carboxy-4'-sulfoazobenzene 305.0231233 6.969433333 66485 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M-H C13H10N2O5S -2.100178049 15-Lipoxygenase Inhibitor 1 358.1332563 7.360966667 45267 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C16H19N5S -3.39524825 Alkhanin 309.1347804 7.497233333 HMDB0036202 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.6 0.0 M+FA-H C15H20O4 1.583892114 Nummularine B 572.2905 7.615333333 86198 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.6 0.0 M-H2O-H C32H41N5O6 4.493492648 KOBUSONE 203.1434273 8.160583333 43735 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.6 0.0 M-H2O-H C14H22O2 -3.202513492 N-(17-hydroxy-9,12-octadecadienoyl)-glutamine 423.2866439 8.2795 LMFA08020215 Lipids and lipid-like molecules Fatty Acyls Fatty amides Unclassified Unclassified 36.6 0.0 M-H C23H40N2O5 0.466511968 (4E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one 321.1708822 8.545833333 HMDB0137236 Benzenoids Phenols Methoxyphenols Unclassified C10494 36.6 0.0 M+FA-H C17H24O3 0.487903359 20-hydroxyecdysone 479.3017226 8.545833333 57651 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified C02633 36.6 0.0 M-H2O-H, M-H C27H44O7 0.882705375 Medicagenic acid 28-O-[b-D-xylosyl-(1->4)-a-L-rhamnosyl-(1->2)-a-L-arabinosyl] ester 911.4654908 8.60815 93882 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.6 0.0 M-H C46H72O18 0.988306001 Salidroside 345.120059 8.90455 44847 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M+FA-H C14H20O7 3.175988539 L-Galacturonic acid calcium salt 407.0159282 8.9835 71657 Unclassified Unclassified Unclassified Unclassified Unclassified 36.6 0.0 M-H2O-H C12H18CaO14 3.574982954 3-Methyl-5-propyl-2-furanundecanoic acid 353.2335957 9.046583333 HMDB0061646 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.6 0.0 M+FA-H C19H32O3 0.80433388 8-Epixanthatin 291.1240445 9.063183333 91598 Lipids and lipid-like molecules Prenol lipids Terpene lactones 1 Unclassified 36.6 0.0 M+FA-H C15H18O3 1.004522488 19-hydroxy-nonadecanoic acid 359.280601 9.11285 74502 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.6 0.0 M+FA-H C19H38O3 0.964124873 Argentine 387.1845973 0.570933333 68550 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H2O-H C23H26N4O3 4.794921057 Hypoxylone 377.0669319 0.626733333 68271 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C20H12O5 0.769595914 Flupenthixol sulfoxide 446.1524112 0.654816667 2775 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H2O-H C23H26F3N3O2S 1.009568097 Asperlicin 516.20481 0.682916667 69156 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H2O-H C31H29N5O4 1.301646971 CMP-N-trimethyl-2-aminoethylphosphonate 453.0925347 0.696866667 63595 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates 2 C05674 36.5 0.0 M-H2O-H C14H26N4O10P2 -4.322135503 Phytosulfokine a 845.2350747 0.724833333 HMDB0029809 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.5 0.0 M-H C33H46N6O16S2 1.394028042 Frutinone A 263.0347271 0.781 67347 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H, M+FA-H C16H8O4 -0.966615021 Trithionic acid 192.8934156 0.825966667 63307 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H H2O6S3 -3.397406402 Cyclobrassinone 231.0231767 0.842266667 89779 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 36.5 0.0 M-H C11H8N2O2S -0.842222876 AS-041164 229.9916374 0.942083333 45574 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H2O-H C11H7NO4S -0.402172894 11-Oxo-androsterone glucuronide 525.2317784 1.203633333 LMST05010032 Lipids and lipid-like molecules Glycerolipids Diradylglycerols 1 Unclassified 36.5 0.0 M+FA-H C25H36O9 -4.908504797 Phenprocoumon 325.1076666 1.356966667 HMDB0015081 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Unclassified Unclassified 36.5 0.0 M+FA-H C18H16O3 -1.715791252 thio-p-Toluamide 196.0443446 1.44235 96501 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C8H9NS 3.782937188 Clitidine 269.0781454 1.596533333 73464 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H C11H14N2O6 0.872574583 1-tetradecanoyl-sn-glycero-3-phosphate 363.1945203 10.00316667 HMDB0062321 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1 Unclassified 36.5 0.0 M-H2O-H C17H35O7P 0.840687032 {3-[(1Z)-2-methyl-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid 483.0448321 10.00316667 HMDB0133627 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.5 0.0 2M-H C10H10O5S 4.792345099 Debrisoquine 349.2151243 10.23256667 58453 Organoheterocyclic compounds Tetrahydroisoquinolines Unclassified Unclassified C13650 36.5 0.0 2M-H C10H13N3 1.4444136 6-keto Testosterone Enanthate 459.2738374 10.39613333 64683 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C26H38O4 -3.319339949 9-(3-methyl-5-propylfuran-2-yl)-nonanoic acid 325.2023115 10.645 LMFA01150017 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.5 0.0 M+FA-H C17H28O3 0.941554928 3a,17a-Dihydroxy-5b-androstane 337.2387691 11.89541667 5372 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 C07632 36.5 0.0 M+FA-H C19H32O2 1.149687352 Uridine diphosphate glucuronic acid 579.0271043 14.2561 HMDB0000935 Organoheterocyclic compounds Lactones Gamma butyrolactones 2 C00167 36.5 0.0 M-H C15H22N2O18P2 0.164830927 Arabinoside uridinemonophosphate 369.0355662 15.85835 678 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C9H13N2O9P 4.619049639 5-Trifluoromethyl-2,4-disulfamoylaniline 299.9734133 2.020966667 3181 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H2O-H C7H8F3N3O4S2 1.322980415 Calycosin 329.0668231 3.297633333 LMPK12050056 Lipids and lipid-like molecules Polyketides Flavonoids 3 Unclassified 36.5 0.0 M+FA-H C16H12O5 0.516761108 Helminthosporoside A 865.3693077 4.222283333 67881 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H2O-H C39H64O22 -2.006888958 Perphenazine 384.1306408 4.514416667 1802 Organoheterocyclic compounds Benzothiazines Phenothiazines Unclassified C07427 36.5 0.0 M-H2O-H C21H26ClN3OS -0.07258257 {[4-(2,6-dihydroxyphenyl)-2-methylbut-2-en-1-yl]oxy}sulfonic acid 255.0333812 4.772233333 HMDB0126242 Benzenoids Phenols Benzenediols Unclassified Unclassified 36.5 0.0 M-H2O-H C11H14O6S 0.412916029 1-dimethylarsinoyl-(3Z,6Z,9Z,12Z,15Z,18Z)-docosahexaene 417.2134138 4.772233333 LMFA11000717 Lipids and lipid-like molecules Fatty Acyls Hydrocarbons Unclassified Unclassified 36.5 0.0 M-H C24H39AsO -2.384351292 CAY10567 307.0860647 4.823433333 45225 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H2O-H C21H14N2O2 -4.973580436 4-hydroxy Nonenal Glutathione 925.3928318 4.955766667 64775 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.5 0.0 2M-H C19H33N3O8S 2.629750561 2,6R-Dimethyl-2E-octen-1,8-dioic acid 399.2026609 5.194383333 LMFA01170132 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.5 0.0 2M-H C10H16O4 0.548128696 Faropenem sodium 288.0313569 5.228883333 69558 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified C13310 36.5 0.0 M-H2O-H C12H14NNaO5S 0.52160059 Zileuton O-glucuronide 393.0768445 5.297816667 HMDB0060914 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.5 0.0 M-H2O-H C17H20N2O8S 1.57486529 N-Trifluoroacetyladriamycin 620.1381846 5.6128 HMDB0061164 Phenylpropanoids and polyketides Anthracyclines Unclassified Unclassified Unclassified 36.5 0.0 M-H2O-H C29H28F3NO12 -0.522981491 Ketorolac 236.0722201 5.79705 HMDB0014608 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified C07062 36.5 0.0 M-H2O-H C15H13NO3 2.030405651 alpha-EMTBL 189.0584146 5.813583333 69658 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C7H12OS -4.68058326 TG(14:0/24:0/24:0) 1001.949096 5.899483333 HMDB0042247 Lipids and lipid-like molecules Glycerolipids Triradylcglycerols 1 Unclassified 36.5 0.0 M-H C65H126O6 0.9276815 Allyl thiohexanoate 343.175699 6.1032 HMDB0039467 Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters 1 Unclassified 36.5 0.0 2M-H C9H16OS -4.058513543 3,5,8-Megastigmatrien-7-one 189.127636 6.2142 HMDB0036572 Organic oxygen compounds Organooxygen compounds Carbonyl compounds Unclassified Unclassified 36.5 0.0 M-H C13H18O -4.485124916 Gemeprost 439.2700898 6.447483333 3011 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C23H38O5 -0.094769742 Prostaglandin A1 ethyl ester 409.2597981 6.532666667 45366 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C22H36O4 0.646788094 Icacine 809.419841 6.532666667 67124 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 2M-H C22H31NO6 -3.896646621 (R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin 629.3122154 6.670466667 93667 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins 1 Unclassified 36.5 0.0 M-H C38H46O8 0.35444073 Tinyatoxin 597.2474091 6.90235 67510 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H C36H38O8 -3.31405576 Undecanoylcarnitine 374.2547582 7.275083333 LMFA07070110 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.5 0.0 M+FA-H C18H35NO4 -0.161668968 16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol 403.2498337 7.877983333 70433 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C23H34O3 2.333150567 20-hydroxy-PGE2 413.2184339 7.877983333 LMFA03010014 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 36.5 0.0 M+FA-H C20H32O6 0.9295579 Troxilin B3 353.2335732 8.110383333 LMFA03090004 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C14811 36.5 0.0 M-H, M+FA-H C20H34O5 0.636483316 WIN 55212-2 407.1747557 8.21155 43434 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H2O-H C27H26N2O3 -4.096435173 ecdysone 509.3122621 8.21155 57652 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified C00477 36.5 0.0 M+FA-H C27H44O6 0.581657788 6-Methoxy-3-(2-thiazolyl)-1H-indole 459.0935055 8.514016667 HMDB0038632 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 36.5 0.0 2M-H C12H10N2OS -4.316252182 N-cis-tetradec-9Z-enoyl-L-Homoserine lactone 354.2286642 8.561033333 64725 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C18H31NO3 0.218337668 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 423.2756285 9.11285 5366 Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives 1 Unclassified 36.5 0.0 M-H C24H40O6 0.980242941 3b,17b-Dihydroxyetiocholane 337.2387218 9.146383333 5358 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 36.5 0.0 M+FA-H C19H32O2 0.987935597 2-oxo-nonadecanoic acid 357.2649557 9.180233333 74768 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.5 0.0 M+FA-H C19H36O3 0.985861929 Tumonoic Acid A 338.2339701 9.263866667 65396 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H C19H33NO4 0.848818753 Ustilagic acid 783.403115 9.280333333 LMFA13010033 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Unclassified Unclassified 36.5 0.0 M-H C36H64O18 1.43570297 Pregn-4-en-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,6a)- 433.2598006 9.414783333 1085 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M-H, M+FA-H C24H36O4 0.601002078 ML-236C 335.1867543 9.750116667 69766 Unclassified Unclassified Unclassified Unclassified Unclassified 36.5 0.0 M+FA-H C18H26O3 1.229270331 (+/-)-5-HEPE 363.2180859 9.93705 LMFA03070027 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 36.5 0.0 M+FA-H C20H30O3 1.219858971 (2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine 482.1187809 0.682916667 HMDB0061012 Organoheterocyclic compounds Oxazinanes Morpholines Unclassified Unclassified 36.4 0.0 M+FA-H C20H18F7NO2 -4.571654326 PC(0:0/2:0)[U] 298.1046669 0.794916667 40351 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H C10H22NO7P -4.832158212 Chromotropic acid 318.9589007 0.976216667 68990 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H C10H8O8S2 0.368632714 Sulfotep 321.0153592 1.271983333 72469 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H C8H20O5P2S2 -0.321098905 Azimsulfuron 423.0950404 1.271983333 72244 Organic nitrogen compounds Organonitrogen compounds Sulfonylureas Unclassified C18438 36.4 0.0 M-H C13H16N10O5S -0.631442143 DL-Homocystine 313.0536415 1.476633333 HMDB0000575 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01817 36.4 0.0 M+FA-H C8H16N2O4S2 1.080377483 3,3'-Dimethoxybenzidine 487.2374854 10.23256667 72954 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 2M-H C14H16N2O2 4.928551541 1-(Methylsulfinyl)propyl 1-propenyl disulfide 419.0323428 10.24855 88950 Organosulfur compounds Sulfoxides Unclassified Unclassified Unclassified 36.4 0.0 2M-H C7H14OS3 -4.135059302 12-HEPE 363.2181428 10.33026667 HMDB0010202 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 1 Unclassified 36.4 0.0 M+FA-H C20H30O3 1.398829431 Octadecanoic acid, 2-mercapto-; alpha-Mercaptostearic acid 361.241479 10.71218333 74887 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+FA-H C18H36O2S -1.028578858 14-methyl-8-hexadecen-1-ol 299.2593406 13.46558333 LMFA05000034 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 36.4 0.0 M+FA-H C17H34O 0.676707634 Zonisamide 193.0084274 15.8926 66666 Organoheterocyclic compounds Benzisoxazoles Unclassified Unclassified C07504 36.4 0.0 M-H2O-H C8H8N2O3S 3.326911292 3-Oxooctanoic acid glycerides 294.1309056 2.751466667 94392 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+FA-H C11H21O6- -4.458245798 3-Hydroxynorpromazine 267.0964415 4.085066667 2143 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H2O-H C16H18N2OS 1.042834258 Octamethyltrisiloxane 471.2100016 4.376566667 66613 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 2M-H C8H24O2Si3 0.971530218 3'-Hydroxytrimethoprim 257.1032043 4.823433333 2961 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H2O-H C13H16N4O3 -4.327762558 3-Aminobenzoic acid 273.0885396 4.92155 6501 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.4 0.0 2M-H C7H7NO2 1.675121957 RCS-4 N-(4-hydroxypentyl) metabolite 318.1492709 4.972966667 96591 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H2O-H C21H23NO3 -2.021617765 4-(Dimethylamino)phenylazoxybenzene 286.1202553 5.05715 66156 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+FA-H C14H15N3O 2.240939075 Heterodendrin 242.1033424 5.07435 66911 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H2O-H C11H19NO6 -0.205929836 Bisphenol A dimethacrylate 363.1596486 5.194383333 69981 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H C23H24O4 -1.46683987 Acetyllycopsamine 340.1774945 5.579683333 71311 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H C17H27NO6 2.735618805 Cyphenothrin 749.358341 5.6128 69518 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 2M-H C24H25NO3 -1.692350071 3,7,11-trimethyldodecan-1-ol 227.2385685 5.6454 HMDB0062728 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.4 0.0 M-H C15H32O 2.319002735 SULFAMERAZINE 527.1312253 5.696233333 44260 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified Unclassified 36.4 0.0 2M-H C11H12N4O2S 4.37098075 desethylzaleplon 262.1107227 5.79705 HMDB0061055 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Unclassified Unclassified 36.4 0.0 M-H C15H13N5 3.434434587 12,13-dihydroxy-11-methoxy-9-octadecenoic acid 389.2550087 6.68735 74817 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.4 0.0 M+FA-H C19H36O5 1.544231099 2-Hydroxyestradiol-3-methyl ether 347.1866474 7.05285 LMST02010051 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids 1 Unclassified 36.4 0.0 M+FA-H C19H26O3 0.826619758 15S-HpETE 381.2286075 7.548516667 LMFA03060014 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05966 36.4 0.0 M+FA-H C20H32O4 1.026556573 Obidoxime 267.0900409 7.63195 1622 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H2O-H C14H14N4O3 4.514840622 Cinnamodial 307.1553254 7.6642 67857 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M-H C17H24O5 0.739685705 16alpha-Hydroxycorticosterone 407.2079252 8.0772 70528 Unclassified Unclassified Unclassified Unclassified Unclassified 36.4 0.0 M+FA-H C21H30O5 1.09968593 3-[2-hydroxy-3-(sulfooxy)phenyl]propanoic acid 523.0233271 8.9683 HMDB0134099 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.4 0.0 2M-H C9H10O7S 2.206307862 16-Oxoandrostenediol 349.2022413 9.634266667 57822 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids 1 Unclassified 36.4 0.0 M+FA-H C19H28O3 0.636671549 SC-57666 361.0909995 0.724833333 69166 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+FA-H C18H17FO2S -1.684290774 Dinitramine 643.1733922 0.766866667 72555 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 2M-H C11H13F3N4O4 4.485472133 Poly-g-D-glutamate 563.1833631 0.781 58212 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C05723 36.3 0.0 M-H, M+FA-H C20H30N4O12 -1.292506222 6-oxo-famciclovir 382.136262 0.794916667 HMDB0061100 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Unclassified Unclassified 36.3 0.0 M+FA-H C14H19N5O5 -1.659924346 Dantron 221.0235586 0.89165 HMDB0029752 Benzenoids Anthracenes Anthraquinones Unclassified C10312 36.3 0.0 M-H2O-H C14H8O4 -3.578730684 Thiocysteine 197.989353 1.008516667 58162 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues 2 C01962 36.3 0.0 M+FA-H C3H7NO2S2 -4.381770122 4-O-beta-D-Galactopyranosyl-D-xylose 605.1946503 1.008516667 93493 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.3 0.0 M-H2O-H C22H40O20 1.91878205 Quinagolide sulfate 520.1789025 1.120283333 2213 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M+FA-H C20H33N3O6S2 -0.795747918 PC(3:0/0:0) 358.1259256 1.288883333 LMGP01050059 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines Unclassified Unclassified 36.3 37.9 M+FA-H C11H24NO7P -4.202667603 3,5-dihydroxy-4-(sulfooxy)benzoic acid 230.9594044 1.699116667 HMDB0126639 Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Unclassified Unclassified 36.3 0.0 M-H2O-H C7H6O8S -4.370909449 Brassicanal B 232.0435341 1.715966667 HMDB0038592 Organoheterocyclic compounds Indoles and derivatives Indoles Unclassified Unclassified 36.3 0.0 M-H C12H11NO2S -1.025758627 1R,9S-HYDRASTINE 364.1185849 1.715966667 44159 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H2O-H C21H21NO6 -1.204226442 3,4'-Dimethoxyfurano[2,3:7,8]flavone 303.0657014 1.76715 49970 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H2O-H C19H14O5 -1.804018201 Butyl oleate sulfate 867.5328266 10.00316667 HMDB0037511 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Unclassified Unclassified 36.3 0.0 2M-H C22H42O6S -0.365130912 alpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid 537.2013843 10.23256667 70613 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 2M-H C16H15NO3 -3.206813734 Ethoate-methyl 485.0241773 10.56093333 72742 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 2M-H C6H14NO3PS2 1.871893665 [(1-oxo-1H-isochromen-3-yl)methoxy]sulfonic acid 511.0024235 10.99495 HMDB0128627 Phenylpropanoids and polyketides Isocoumarins and derivatives Unclassified Unclassified Unclassified 36.3 0.0 2M-H C10H8O6S 2.699154932 Chlorogenin 493.3540824 11.02758333 84237 Lipids and lipid-like molecules Prenol lipids Triterpenoids 1 Unclassified 36.3 0.0 M+FA-H C28H48O4 1.381731093 Pteroic acid 311.0887072 2.3612 66690 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H C14H12N6O3 -3.539346119 17-Beta-Estradiol-3,17-beta-sulfate 477.0889536 2.412116667 LMST05020041 Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids 1 Unclassified 36.3 0.0 M+FA-H C18H24O8S2 -1.178043128 2-Hydroxy-6-oxo-6-(2-hydroxyphenyl)-hexa-2,4-dienoate 467.0963289 2.768466667 66732 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 2M-H C12H10O5 -4.361216703 2,5-Dimethyl-1,4-dithiane-2,5-diol 225.0256832 2.922083333 89366 Organoheterocyclic compounds Dithianes Unclassified Unclassified Unclassified 36.3 0.0 M+FA-H C6H12O2S2 -2.173472871 Morroniside 405.1421796 4.652083333 71492 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H C17H26O11 4.78744428 Warfarin 353.1031869 4.7379 HMDB0001935 Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins Unclassified C01541 36.3 0.0 M+FA-H C19H16O4 0.405831541 4-[(2,4-Dihydroxyphenyl)azo]benzenesulfonic acid 275.0123697 4.972966667 92643 Organoheterocyclic compounds Azobenzenes Unclassified Unclassified Unclassified 36.3 0.0 M-H2O-H C12H10N2O5S -2.828265933 Fonofos 227.0128723 5.211683333 72746 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H2O-H C10H15OPS2 2.112418605 10,11-Dihydroxycarbamazepine 315.0992516 5.246216667 HMDB0060568 Organoheterocyclic compounds Benzazepines Dibenzazepines Unclassified Unclassified 36.3 0.0 M+FA-H C15H14N2O3 2.245162827 2-(4-Hydroxybenzyl)isoindole-1,3-dione 234.0565928 5.3795 69923 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H2O-H C15H11NO3 2.136628344 Gluconapoleiferin 384.0424413 5.395966667 66957 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H2O-H C12H21NO10S2 -1.005869908 Siduron 231.1495503 5.495933333 72242 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H C14H20N2O -3.172648662 Premithramycinone 395.0752362 5.933116667 63775 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H2O-H C21H18O9 -4.841425196 7,8-Dihydro-3b,6a-dihydroxy-alpha-ionol 9-glucoside 435.224942 6.118816667 95958 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.3 0.0 M+FA-H C19H34O8 3.513589706 MGDG(18:2(9Z,12Z)/18:2(9Z,12Z)) 823.5561173 6.2608 LMGL05010023 Lipids and lipid-like molecules Glycerolipids Glycosyldiradylglycerols Unclassified Unclassified 36.3 0.0 M+FA-H C45H78O10 -2.034888453 3-[3,4-dihydroxy-2-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)phenyl]propanoic acid 379.1770542 7.03615 HMDB0134962 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 36.3 0.0 M+FA-H C19H26O5 2.475903918 Furanodienone 459.2522395 7.1907 HMDB0036768 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 C16960 36.3 0.0 2M-H C15H18O2 -4.005707895 OS-PA 535.2701475 7.1907 LMGP20070020 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.3 0.0 M-H C25H45O10P 4.456052926 Diisopentyl thiomalate 335.1531681 7.343833333 HMDB0032223 Lipids and lipid-like molecules Fatty Acyls Fatty acid esters 1 Unclassified 36.3 0.0 M+FA-H C14H26O4S -0.741139827 Fulvinervin B 367.1334437 7.360966667 48612 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.3 0.0 M-H2O-H C25H22O4 -1.357825351 methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate 401.2185549 7.680833333 LMFA01040043 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.3 0.0 M+FA-H C19H32O6 1.300506418 3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate 473.2581728 7.89455 57971 Lipids and lipid-like molecules Sterol Lipids Steroid conjugates Unclassified C16259 36.3 0.0 M-H C24H42O7S 0.684263557 9,10,11-trihydroxy-12Z-octadecenoic acid 389.2549303 7.944666667 LMFA05000713 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Unclassified Unclassified 36.3 0.0 M+FA-H C19H36O5 1.316327198 Triphenyltetrazolium chloride 333.0902276 7.9613 68976 Unclassified Unclassified Unclassified Unclassified Unclassified 36.3 0.0 M-H C19H15ClN4 -3.053461942 Ganoderic acid L 533.3122468 8.413516667 HMDB0035885 Phenylpropanoids and polyketides Isoflavonoids O-methylated isoflavonoids 1 Unclassified 36.3 0.0 M-H C30H46O8 0.476942294 Kazinol H 441.2414592 8.936933333 LMPK12020242 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.3 0.0 M-H2O-H C30H36O4 -4.474331966 (E)-Avenanthramide D 565.1626103 0.668933333 93554 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Unclassified Unclassified 36.2 0.0 2M-H C16H13NO4 1.714973331 Penicillin O 375.0701489 0.710833333 71669 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+FA-H C13H18N2O4S2 3.474921016 S-(p-Azidophenacyl)glutathione 511.1253664 0.710833333 4089 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+FA-H C18H22N6O7S 0.204795033 {[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid 421.0661447 0.766866667 HMDB0125625 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.2 0.0 M-H C12H22O14S 0.935338894 N1,N4-Diacetylsulfanilamide 511.0975088 0.766866667 2528 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 2M-H C10H12N2O4S 2.400880628 3,4-dihydroxy-5-(sulfooxy)cyclohex-1-ene-1-carboxylic acid 234.9915643 0.781 HMDB0130162 Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters Unclassified Unclassified 36.2 0.0 M-H2O-H C7H10O8S -0.916787106 4-hydroxy-5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid 351.039737 0.781 HMDB0127746 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.2 0.0 M+FA-H C11H14O8S 1.946592291 3-Mercaptolactate-cysteine disulfide 221.9896422 1.18665 58438 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.2 0.0 M-H2O-H C6H11NO5S2 -1.581438388 Diethyl disulfide 103.0051098 1.562333333 HMDB0029572 Organosulfur compounds Organic disulfides Dialkyldisulfides Unclassified Unclassified 36.2 0.0 M-H2O-H C4H10S2 4.578246514 Omeprazole sulfide 310.1022779 1.562333333 1635 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H2O-H C17H19N3O2S 0.975887609 Anigorufone 317.0812205 1.935616667 HMDB0033935 Benzenoids Naphthalenes Phenylnaphthalenes Unclassified Unclassified 36.2 0.0 M+FA-H C19H12O2 -2.616992065 Normethandrolone 333.2074888 10.1669 70100 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+FA-H C19H28O2 1.234593453 Ajocysteine 561.0353283 10.96231667 95485 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Unclassified Unclassified 36.2 0.0 2M-H C9H15NO3S3 -0.370036792 27-nor-22R-hydroxy-5alpha-cholestan-3,6-dione 447.312114 11.23095 LMST01010334 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+FA-H C26H42O3 1.2823146 (all-Z)-8,11,14-Heptadecatrienal 293.2125525 11.81341667 HMDB0041333 Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes 2 C16343 36.2 0.0 M+FA-H C17H28O 1.345953649 5-Taurinomethyl-2-thiouridine 442.060629 2.6999 HMDB0011610 Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Unclassified Unclassified Unclassified 36.2 0.0 M+FA-H C12H19N3O8S2 2.693686385 N-(diphenylmethylene) Glycine benzyl ester 328.1338001 2.768466667 44984 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H C22H19NO2 -1.526063273 Ampicillin 330.0920252 3.297633333 536 Organic oxygen compounds Organooxygen compounds Ethers 1 C06574 36.2 0.0 M-H2O-H C16H19N3O4S 0.685192659 Cl-Amidine 291.1022978 4.686483333 96434 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H2O-H C14H19ClN4O2 1.564990106 Glucocochlearin 356.0474371 4.703683333 66950 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H2O-H C11H21NO9S2 -1.319947995 SULFAMETHOXYPYRIDAZINE 261.0441318 4.7379 43487 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H2O-H C11H12N4O3S -3.707465211 {[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}sulfonic acid 347.0808263 4.823433333 HMDB0132965 Benzenoids Phenol ethers Anisoles Unclassified Unclassified 36.2 0.0 M+FA-H C13H18O6S 0.708857932 Mezlocillin metabolite (4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-[[[[[[3-(methylsulfonyl)-2-oxo 494.1157936 4.9897 1269 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H2O-H C20H27N5O7S2 -3.031416306 Prontosil 290.0710491 5.05715 66686 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H C12H13N5O2S -2.302347435 Ranitidine S-oxide 311.11673 5.1088 2251 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H2O-H C13H22N4O4S -4.86176752 ID14326 507.2428431 5.143133333 HMDB0060828 Nucleosides, nucleotides, and analogues Nucleoside and nucleotide analogues 1-pyranosylindoles Unclassified Unclassified 36.2 0.0 M-H C28H36N4O3S -1.362497032 5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone 363.0856705 5.194383333 LMPK12050249 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H C21H16O6 -4.782654684 4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan 385.1440214 5.297816667 47490 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H2O-H C25H24O5 -1.265111316 CAY10581 362.1385619 5.395966667 45721 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H C22H21NO4 -3.358947391 Thiolanilide 216.0484908 5.412316667 96349 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H C12H11NOS -1.694125914 3-O-p-Coumaroylquinic acid 337.093759 5.44555 HMDB0029681 Organic oxygen compounds Organooxygen compounds Alcohols and polyols 3 Unclassified 36.2 0.0 M-H C16H18O8 2.566855662 [(3-methyl-2-oxo-4-phenylbut-3-en-1-yl)oxy]sulfonic acid 301.0391964 5.479133333 HMDB0133689 Benzenoids Benzene and substituted derivatives Unclassified Unclassified Unclassified 36.2 0.0 M+FA-H C11H12O5S 1.753847351 Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside] 679.2843982 5.579683333 HMDB0038449 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.2 0.0 M-H C30H48O17 3.711053629 Myxothiazol Z 501.1882413 5.763166667 71011 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H C26H34N2O4S2 -0.959428995 7-hydroxygranisetron 373.1874538 5.79705 HMDB0061062 Organoheterocyclic compounds Benzopyrazoles Indazoles Unclassified Unclassified 36.2 0.0 M+FA-H C18H24N4O2 -2.056990663 Fluconazole 351.1012515 6.036733333 HMDB0014342 Benzenoids Benzene and substituted derivatives Halobenzenes Unclassified Unclassified 36.2 0.0 M+FA-H C13H12F2N6O -3.321728082 DIHYDROFLAVOPEREIRINE 294.1384952 6.0533 84953 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+FA-H C17H17N2+ 4.490529151 Nepetaside 345.156235 6.2142 92890 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.2 0.0 M-H C16H26O8 2.148280648 dihydroergocristine 658.327595 6.48195 4041 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M+FA-H C35H43N5O5 4.846805893 24R-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25R,26-nonol 527.3230886 6.532666667 84030 Lipids and lipid-like molecules Sterol Lipids Sterols Unclassified Unclassified 36.2 0.0 M-H C28H48O9 1.006831954 Ophiobolin F 357.317262 6.771683333 71366 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H C25H42O 2.713937883 3',4',6'-Trihydroxy-2'-oxo-3',5'-diprenyldihydrochalcone 391.1895078 7.463566667 52393 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H2O-H C25H30O5 -4.81484969 BW 245C 367.2253875 8.110383333 45416 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H C19H32N2O5 4.186917622 Goshonoside F1 465.2859874 8.363166667 93212 Lipids and lipid-like molecules Prenol lipids Terpene glycosides 1 Unclassified 36.2 0.0 M-H2O-H C26H44O8 0.433882011 norfentanyl 231.1494325 8.39665 HMDB0061006 Benzenoids Benzene and substituted derivatives Anilides Unclassified Unclassified 36.2 0.0 M-H C14H20N2O -3.680142409 Sativanine B 517.2840894 8.561033333 68092 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 M-H C30H38N4O4 3.97492894 Dipiperamide C 537.2384512 8.74035 HMDB0039457 Organoheterocyclic compounds Benzodioxoles Unclassified Unclassified Unclassified 36.2 0.0 M-H2O-H C33H36N2O6 -1.877759435 Desmethylranitidine 599.2409575 8.936933333 2250 Unclassified Unclassified Unclassified Unclassified Unclassified 36.2 0.0 2M-H C12H20N4O3S -4.979752803 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid 491.2424533 9.794383333 HMDB0037558 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids 1 Unclassified 36.2 0.0 2M-H C15H18O3 -2.964179953 Thiolutin 208.9843505 0.654816667 HMDB0034228 Organic nitrogen compounds Organonitrogen compounds N-arylamides Unclassified Unclassified 36.1 0.0 M-H2O-H C8H8N2O2S2 -2.315283582 Metsulfovax 213.0487483 0.654816667 72694 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H2O-H C12H12N2OS -1.915612808 Aspoxicillin 474.1466836 0.668933333 69555 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H2O-H C21H27N5O7S 2.849997811 Glabrone 381.0974005 0.696866667 LMPK12050074 Phenylpropanoids and polyketides Isoflavonoids Pyranoisoflavonoids Unclassified Unclassified 36.1 0.0 M+FA-H C20H16O5 -1.713808984 3-O-fucopyranosyl-2-acetamido-2-deoxyglucopyranose 412.146917 0.781 58522 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.1 0.0 M+FA-H C14H25NO10 2.364453142 Mono-N-hydroxydapsone 245.039054 1.037216667 1931 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H2O-H C12H12N2O3S 0.120661386 2-hydroxy-4- (methylthio) butyric acid Calcium salt 318.9996346 1.271983333 44706 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H2O-H C10H18CaO6S2 1.196543456 Dimethipin 208.9942234 1.339783333 72495 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H C6H10O4S2 -2.623770474 Ohioensin-A 417.0976482 1.75015 68043 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+FA-H C23H16O5 -0.882230714 3alpha,7alpha,12alpha,24-Tetrahydroxy-5alpha-cholestan-26-oic acid 465.3222146 10.21658333 84790 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H C27H46O6 0.111199002 5-trans-PGA2 379.212913 10.31376667 36164 Lipids and lipid-like molecules Fatty Acyls Eicosanoids 2 C05953 36.1 0.0 M+FA-H C20H30O4 0.899572537 Integerrenine 515.3049715 10.8282 68084 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H2O-H C31H42N4O4 4.129968466 hydroxyrepaglinide 449.2442186 11.11996667 HMDB0060979 Organoheterocyclic compounds Piperidines Phenylpiperidines Unclassified Unclassified 36.1 0.0 M-H2O-H C27H36N2O5 -0.774221039 (2Z)-3-phenyl-2-[(sulfooxy)methyl]prop-2-enoic acid 515.0339218 11.21416667 HMDB0133661 Phenylpropanoids and polyketides Cinnamic acids and derivatives Cinnamic acids Unclassified Unclassified 36.1 0.0 2M-H C10H10O6S 3.062077903 Lesquerolic acid 371.2805722 11.34856667 LMFA01050117 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.1 0.0 M+FA-H C20H38O3 0.840584998 5-octadecynoic acid 325.2386562 11.71463333 LMFA01030566 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 1 Unclassified 36.1 0.0 M+FA-H C18H32O2 0.795878195 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate 365.2311588 11.81341667 70795 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H C22H32F2O2 3.818658671 8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 303.1019923 2.446016667 48456 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H C20H16O3 -2.221605052 4'-Hydroxyphenprocoumon 277.0865302 2.5139 1838 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H2O-H C18H16O4 -1.647102646 Atracurium (Quaternary alcohol) 560.2841659 3.1094 1155 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+FA-H C29H41NO7 -4.540361408 CHELIDONINE (+) 334.1079154 4.428283333 43935 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H2O-H C20H19NO5 -1.603508299 Bikoeniquinone A 465.1442464 4.583133333 95254 Organoheterocyclic compounds Indoles and derivatives Carbazoles Unclassified Unclassified 36.1 0.0 M+FA-H C27H20N2O3 -3.210660228 cefepime 461.1056885 4.61755 4036 Organoheterocyclic compounds Lactams Beta lactams Unclassified C08111 36.1 0.0 M-H2O-H C19H24N6O5S2 -2.978870657 Sulfamethopyrazine 279.0546731 4.66925 69463 Benzenoids Benzene and substituted derivatives Benzenesulfonamides Unclassified C12616 36.1 0.0 M-H C11H12N4O3S -3.790955165 Acetylbrowniine 554.2949669 4.904883333 67089 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+FA-H C27H43NO8 -4.129845471 Pinocembrin 7-O-benzoate 341.0810466 5.331016667 52709 Lipids and lipid-like molecules Polyketides Flavonoids Unclassified Unclassified 36.1 0.0 M-H2O-H C22H16O5 -2.460112358 Oryzalin 327.0761264 5.46185 72638 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H2O-H C12H18N4O6S -2.131801007 R-138727 394.1146798 5.729433333 HMDB0014258 Benzenoids Benzene and substituted derivatives Halobenzenes Unclassified Unclassified 36.1 0.0 M+FA-H C18H20FNO3S 4.824116453 Cafenstrole 349.133139 5.746233333 72303 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H C16H22N4O3S -2.416614523 Cellobiono-1,5-lactone 339.0946816 5.813583333 65559 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H C12H20O11 4.106409128 9-(3,4-Dimethoxyphenyl)-2-methoxy-1H-phenalen-1-one 327.1018398 5.967566667 HMDB0034692 Benzenoids Naphthalenes Phenylnaphthalenes Unclassified Unclassified 36.1 0.0 M-H2O-H C22H18O4 -2.392597184 3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid 271.1190128 6.18385 LMFA01170130 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+FA-H C12H18O4 1.330449144 6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone 419.133402 6.18385 52150 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M+FA-H C20H22O7 -3.618643322 15-methyl-15S-PGF2alpha 413.2551018 7.156283333 LMFA03010080 Lipids and lipid-like molecules Fatty Acyls Eicosanoids Unclassified Unclassified 36.1 0.0 M+FA-H C21H36O5 1.696306001 GW 6471 616.2440702 7.207433333 70981 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H2O-H C35H36F3N3O5 1.897485389 Chicoric acid 473.0731011 7.51425 58128 Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Unclassified C10437 36.1 0.0 M-H C22H18O12 1.163270592 DEOXYGEDUNIN 465.2263205 7.845266667 43749 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H C28H34O6 -4.164989242 1-(2-methoxy-tetradecanyl)-sn-glycero-3-phosphoethanolamine 440.2769981 8.2795 LMGP02060009 Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines Unclassified Unclassified 36.1 0.0 M-H C20H44NO7P -2.866220404 9R-hydroxy-10E,12E-octadecadienoic acid, methyl ester 355.2492579 8.80605 LMFA01050549 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.1 0.0 M+FA-H C19H34O3 0.838231558 Ethyl cellulose 453.2346088 9.11285 89214 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Unclassified Unclassified 36.1 0.0 M-H C20H38O11 1.041727345 5-Hydroxyriluzole 248.9963559 9.566833333 2324 Unclassified Unclassified Unclassified Unclassified Unclassified 36.1 0.0 M-H C8H5F3N2O2S 4.997075414 [4-(3-oxopentyl)phenyl]oxidanesulfonic acid 239.039522 0.6128 HMDB0133002 Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Unclassified Unclassified 36.0 0.0 M-H2O-H C11H14O5S 4.528313805 2,4,5-trihydroxy-3-[3-hydroxy-4-methoxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic acid 485.0359155 0.626733333 HMDB0128345 Phenylpropanoids and polyketides Depsides and depsidones Unclassified Unclassified Unclassified 36.0 0.0 M-H2O-H C22H16O14 -0.49323141 Fluvoxamine 299.1361424 0.668933333 2949 Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes Unclassified C07571 36.0 0.0 M-H2O-H C15H21F3N2O2 -4.805963493 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, carboxymethyl methyl est 371.087454 0.668933333 1508 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M-H2O-H C18H18N2O8 -2.615749156 3,3'-Dithiobis[4,5-dihydro-2-methylfuran] 459.0815192 0.781 94225 Organoheterocyclic compounds Dihydrofurans Unclassified Unclassified Unclassified 36.0 0.0 M+FA-H, 2M-H C10H14O2S2 -2.884737527 N-Nitrosofolic acid 451.1103866 1.008516667 73174 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M-H2O-H, M+FA-H C19H18N8O7 -3.440060434 Dutasteride 527.2112503 1.086733333 85470 Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids Unclassified Unclassified 36.0 0.0 M-H C27H30F6N2O2 -4.961603128 N-Acetyldehydroanonaine 350.1024662 1.136383333 HMDB0041537 Alkaloids and derivatives Aporphines Unclassified Unclassified Unclassified 36.0 0.0 M+FA-H C19H15NO3 -3.048171244 5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyisoflavone 339.0501863 1.918916667 47924 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M-H2O-H C18H14O8 -2.345769844 2-(5-((3Z,13Z)-eicosa-3,13-dien-1-yl)furan-2-yl)-ethanoic acid 447.3120967 10.42818333 LMFA01150034 Lipids and lipid-like molecules Fatty Acyls Fatty Acids and Conjugates Unclassified Unclassified 36.0 0.0 M+FA-H C26H42O3 1.239488061 ANDROSTERONE ACETATE 377.2338591 10.56093333 43592 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+FA-H C21H32O3 1.539034551 Adrenic acid 377.2700993 10.56093333 LMFA04000050 Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates 2 C16527 36.0 0.0 M+FA-H C22H36O2 1.101576153 11R,12S-methylene-octadecanoic acid 341.2699499 10.81145 35953 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+FA-H C19H36O2 0.731053064 Myricatin 551.0142256 11.39821667 HMDB0029513 Phenylpropanoids and polyketides Flavonoids Flavans Unclassified Unclassified 36.0 0.0 M-H C22H16O15S 0.926158923 4-Hydroxyfurano[2'',3'':6,7]aurone 259.0394603 3.0243 LMPK12130024 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M-H2O-H C17H10O4 -2.184276191 4-Methyldibenzothiophene 197.0423629 4.686483333 94701 Organoheterocyclic compounds Benzothiophenes Dibenzothiophenes Unclassified Unclassified 36.0 0.0 M-H C13H10S -3.443368184 3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-(sulfooxy)propanoic acid 329.0699547 5.512683333 HMDB0133209 Phenylpropanoids and polyketides Phenylpropanoic acids Unclassified Unclassified Unclassified 36.0 0.0 M-H C14H18O7S -0.281173239 Osmaronin 304.1040548 5.6128 HMDB0032769 Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides 1 Unclassified 36.0 8.44 M+FA-H C11H17NO6 1.021259265 Wasalexin A 339.048088 6.01945 90189 Organoheterocyclic compounds Indoles and derivatives Unclassified Unclassified Unclassified 36.0 0.0 M+FA-H C13H14N2O2S2 0.732556949 {6-hydroxy-3-[3-(3-hydroxyphenyl)-3-oxopropyl]-2-methoxyphenyl}oxidanesulfonic acid 413.0556118 6.199233333 HMDB0126077 Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Unclassified Unclassified 36.0 0.0 M+FA-H C16H16O8S 2.229277224 OOB-PA 501.2647734 7.497233333 LMGP20070019 Lipids and lipid-like molecules Glycerophospholipids Oxidized glycerophospholipids Unclassified Unclassified 36.0 0.0 M-H2O-H C25H45O9P 4.795177349 13-epi-12-oxo Phytodienoic Acid 337.2023703 8.194433333 45401 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M+FA-H C18H28O3 1.104295272 CAY10415 369.0916259 8.413516667 63083 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 M-H C19H18N2O4S 0.470905076 Dithioerythritol 307.0187029 9.869583333 63305 Unclassified Unclassified Unclassified Unclassified Unclassified 36.0 0.0 2M-H C4H10O2S2 4.987201126 METABOLITES_END #END