#METABOLOMICS WORKBENCH Chenhu_1997_20251114_051150 DATATRACK_ID:6696 STUDY_ID:ST004406 ANALYSIS_ID:AN007367 PROJECT_ID:PR002785 VERSION 1 CREATED_ON November 28, 2025, 10:21 am #PROJECT PR:PROJECT_TITLE Effects of a Complex Probiotic Intervention on Serum Metabolism and PR:PROJECT_TITLE Tumor-Bearing Intestinal Segment Metabolism in FOLFOX Chemotherapy-Treated Mice PR:PROJECT_TITLE with Colorectal Cancer PR:PROJECT_SUMMARY An AOM/DSS-induced inflammation-associated colorectal cancer mouse model was PR:PROJECT_SUMMARY established to investigate the metabolic changes in FOLFOX chemotherapy with and PR:PROJECT_SUMMARY without complex probiotic intervention. PR:INSTITUTE Lanzhou University PR:DEPARTMENT School of Life Sciences PR:LABORATORY Probiotics and Life Health Institute PR:LAST_NAME Chen PR:FIRST_NAME Hu PR:ADDRESS Lanzhou University, Lanzhou City, Gansu Province, China, lanzhou, Gansu, 730000, PR:ADDRESS China PR:EMAIL chenhu21@lzu.edu.cn PR:PHONE 13732910293 #STUDY ST:STUDY_TITLE Effects of a Complex Probiotic Intervention on Serum Metabolism and ST:STUDY_TITLE Tumor-Bearing Intestinal Segment Metabolism in FOLFOX Chemotherapy-Treated Mice ST:STUDY_TITLE with Colorectal Cancer ST:STUDY_SUMMARY An AOM/DSS-induced inflammation-associated colorectal cancer mouse model was ST:STUDY_SUMMARY established to investigate the metabolic changes in FOLFOX chemotherapy with and ST:STUDY_SUMMARY without combined probiotic intervention. For the azoxymethane plus dextran ST:STUDY_SUMMARY sulfate sodium (AOM/DSS) model, 8-week-old female BALB/c mice were ST:STUDY_SUMMARY intraperitoneally injected with 10 mg/kg AOM (Sigma-Aldrich, Saint Louis, USA), ST:STUDY_SUMMARY followed by three cycles of DSS (MP Biomedicals, Ohio, USA) to mimic ST:STUDY_SUMMARY colitis-associated colorectal cancer (CAC). For each cycle, the mice were given ST:STUDY_SUMMARY free access to drinking water supplemented with 2% DSS for 1 week, followed by 2 ST:STUDY_SUMMARY weeks of regular water. FOLFOX treatment was used as described in ST:STUDY_SUMMARY 10.3390/nu15051117. Following a one-week intervention with composite probiotics ST:STUDY_SUMMARY or vehicle, oxaliplatin (1 mg/kg) was administered intraperitoneally, followed ST:STUDY_SUMMARY by daily intraperitoneal injections of 5-fluorouracil (50 mg/kg) and calcium ST:STUDY_SUMMARY folinate (10 mg/kg) for 5 days. All solutions were freshly prepared in sterile ST:STUDY_SUMMARY saline before administration. The control group received an equivalent volume of ST:STUDY_SUMMARY saline via intraperitoneal injection. On the day of oxaliplatin injection, ST:STUDY_SUMMARY loperamide (0.2 mg/day) was administered via oral gavage to the designated mice, ST:STUDY_SUMMARY according to the experimental protocol.The tissue and serum samples for this ST:STUDY_SUMMARY test were collected one day after completion of the FOLFOX regimen. Compared ST:STUDY_SUMMARY with the CAC-F group, the CAC-FPL group displayed 62 upregulated and 36 ST:STUDY_SUMMARY downregulated metabolites in tumor tissues, along with 181 upregulated and 149 ST:STUDY_SUMMARY downregulated serum metabolites. Pathway analysis revealed significant ST:STUDY_SUMMARY enrichment of nicotinate and nicotinamide metabolism, suggesting that ST:STUDY_SUMMARY nicotinamide metabolism may be a key mechanism by which composite probiotics ST:STUDY_SUMMARY enhance CAC-FOLFOX prognosis. Probiotics counteract FOLFOX-induced NAD⁺ ST:STUDY_SUMMARY depletion via downregulating NNMT to reduce nicotinamide loss and reshaping ST:STUDY_SUMMARY microbiota to enhance nicotinic acid production. ST:INSTITUTE Lanzhou University ST:DEPARTMENT School of Life Sciences ST:LABORATORY Probiotics and Life Health Institute ST:LAST_NAME Chen ST:FIRST_NAME Hu ST:ADDRESS Lanzhou University, Lanzhou City, Gansu Province, China ST:EMAIL chenhu21@lzu.edu.cn ST:PHONE 13732910293 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Female SU:ANIMAL_ANIMAL_SUPPLIER Laboratory Animal Center, Lanzhou University SU:ANIMAL_HOUSING Five mice were housed in individually ventilated cages. SU:ANIMAL_LIGHT_CYCLE 12 h light/dark cycle SU:ANIMAL_FEED standard diet ad libitum SU:ANIMAL_WATER Provide a 2% DSS solution or normal drinking water on a regular basis. SU:ANIMAL_INCLUSION_CRITERIA eight-week-old BALB/c #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 - A1T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A1T.mzXML SUBJECT_SAMPLE_FACTORS - A2T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A2T.mzXML SUBJECT_SAMPLE_FACTORS - A3T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A3T.mzXML SUBJECT_SAMPLE_FACTORS - A4T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A4T.mzXML SUBJECT_SAMPLE_FACTORS - A5T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A5T.mzXML SUBJECT_SAMPLE_FACTORS - A6T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A6T.mzXML SUBJECT_SAMPLE_FACTORS - A1S Sample source:serum | Treatment:Control RAW_FILE_NAME=A1S.mzXML SUBJECT_SAMPLE_FACTORS - A2S Sample source:serum | Treatment:Control RAW_FILE_NAME=A2S.mzXML SUBJECT_SAMPLE_FACTORS - A3S Sample source:serum | Treatment:Control RAW_FILE_NAME=A3S.mzXML SUBJECT_SAMPLE_FACTORS - A4S Sample source:serum | Treatment:Control RAW_FILE_NAME=A4S.mzXML SUBJECT_SAMPLE_FACTORS - A5S Sample source:serum | Treatment:Control RAW_FILE_NAME=A5S.mzXML SUBJECT_SAMPLE_FACTORS - A6S Sample source:serum | Treatment:Control RAW_FILE_NAME=A6S.mzXML SUBJECT_SAMPLE_FACTORS - B1T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B1T.mzXML SUBJECT_SAMPLE_FACTORS - B2T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B2T.mzXML SUBJECT_SAMPLE_FACTORS - B3T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B3T.mzXML SUBJECT_SAMPLE_FACTORS - B4T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B4T.mzXML SUBJECT_SAMPLE_FACTORS - B5T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B5T.mzXML SUBJECT_SAMPLE_FACTORS - B6T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B6T.mzXML SUBJECT_SAMPLE_FACTORS - B1S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B1S.mzXML SUBJECT_SAMPLE_FACTORS - B2S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B2S.mzXML SUBJECT_SAMPLE_FACTORS - B3S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B3S.mzXML SUBJECT_SAMPLE_FACTORS - B4S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B4S.mzXML SUBJECT_SAMPLE_FACTORS - B5S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B5S.mzXML SUBJECT_SAMPLE_FACTORS - B6S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B6S.mzXML SUBJECT_SAMPLE_FACTORS - F1T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F1T.mzXML SUBJECT_SAMPLE_FACTORS - F2T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F2T.mzXML SUBJECT_SAMPLE_FACTORS - F3T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F3T.mzXML SUBJECT_SAMPLE_FACTORS - F4T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F4T.mzXML SUBJECT_SAMPLE_FACTORS - F5T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F5T.mzXML SUBJECT_SAMPLE_FACTORS - F6T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F6T.mzXML SUBJECT_SAMPLE_FACTORS - F1S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F1S.mzXML SUBJECT_SAMPLE_FACTORS - F2S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F2S.mzXML SUBJECT_SAMPLE_FACTORS - F3S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F3S.mzXML SUBJECT_SAMPLE_FACTORS - F4S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F4S.mzXML SUBJECT_SAMPLE_FACTORS - F5S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F5S.mzXML SUBJECT_SAMPLE_FACTORS - F6S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F6S.mzXML SUBJECT_SAMPLE_FACTORS - G1T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G1T.mzXML SUBJECT_SAMPLE_FACTORS - G2T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G2T.mzXML SUBJECT_SAMPLE_FACTORS - G3T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G3T.mzXML SUBJECT_SAMPLE_FACTORS - G4T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G4T.mzXML SUBJECT_SAMPLE_FACTORS - G5T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G5T.mzXML SUBJECT_SAMPLE_FACTORS - G6T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G6T.mzXML SUBJECT_SAMPLE_FACTORS - G1S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G1S.mzXML SUBJECT_SAMPLE_FACTORS - G2S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G2S.mzXML SUBJECT_SAMPLE_FACTORS - G3S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G3S.mzXML SUBJECT_SAMPLE_FACTORS - G4S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G4S.mzXML SUBJECT_SAMPLE_FACTORS - G5S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G5S.mzXML SUBJECT_SAMPLE_FACTORS - G6S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G6S.mzXML SUBJECT_SAMPLE_FACTORS - H1T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H1T.mzXML SUBJECT_SAMPLE_FACTORS - H2T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H2T.mzXML SUBJECT_SAMPLE_FACTORS - H3T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H3T.mzXML SUBJECT_SAMPLE_FACTORS - H4T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H4T.mzXML SUBJECT_SAMPLE_FACTORS - H5T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H5T.mzXML SUBJECT_SAMPLE_FACTORS - H6T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H6T.mzXML SUBJECT_SAMPLE_FACTORS - H1S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H1S.mzXML SUBJECT_SAMPLE_FACTORS - H2S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H2S.mzXML SUBJECT_SAMPLE_FACTORS - H3S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H3S.mzXML SUBJECT_SAMPLE_FACTORS - H4S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H4S.mzXML SUBJECT_SAMPLE_FACTORS - H5S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H5S.mzXML SUBJECT_SAMPLE_FACTORS - H6S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H6S.mzXML #COLLECTION CO:COLLECTION_SUMMARY Blood and colon tissue were collected from mice immediately after euthanasia. CO:COLLECTION_SUMMARY Serum was obtained by centrifuging the blood after it had sufficiently settled. CO:COLLECTION_SUMMARY Colon tissue was identified by personnel with specialized anatomical expertise, CO:COLLECTION_SUMMARY who excised tumor-bearing intestinal segments. These segments were rinsed with CO:COLLECTION_SUMMARY pre-chilled PBS buffer and rapidly frozen in liquid nitrogen for subsequent CO:COLLECTION_SUMMARY analysis. CO:SAMPLE_TYPE serum and colonic tissue CO:VOLUMEORAMOUNT_COLLECTED 100 μL and 200 mg CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_TUBE_TEMP 4℃ #TREATMENT TR:TREATMENT_SUMMARY For the azoxymethane plus dextran sulfate sodium (AOM/DSS) model, 8-week-old TR:TREATMENT_SUMMARY female BALB/c mice were intraperitoneally injected with 10 mg/kg AOM TR:TREATMENT_SUMMARY (Sigma-Aldrich, Saint Louis, USA), followed by three cycles of DSS (MP TR:TREATMENT_SUMMARY Biomedicals, Ohio, USA) to mimic colitis-associated colorectal cancer (CAC). For TR:TREATMENT_SUMMARY each cycle, the mice were given free access to drinking water supplemented with TR:TREATMENT_SUMMARY 2% DSS for 1 week, followed by 2 weeks of regular water. FOLFOX treatment was TR:TREATMENT_SUMMARY consistently applied in FOLFOX-induced injury, AOM/DSS-induced CAC, and MC38 TR:TREATMENT_SUMMARY tumor models. Following a one-week intervention with composite probiotics or TR:TREATMENT_SUMMARY vehicle, oxaliplatin (1 mg/kg) was administered intraperitoneally, followed by TR:TREATMENT_SUMMARY daily intraperitoneal injections of 5-fluorouracil (50 mg/kg) and calcium TR:TREATMENT_SUMMARY folinate (10 mg/kg) for 5 days. All solutions were freshly prepared in sterile TR:TREATMENT_SUMMARY saline before administration. The control group received an equivalent volume of TR:TREATMENT_SUMMARY saline via intraperitoneal injection. On the day of oxaliplatin injection, TR:TREATMENT_SUMMARY loperamide (0.2 mg/day) was administered via oral gavage to the designated mice, TR:TREATMENT_SUMMARY according to the experimental protocol. TR:TREATMENT_COMPOUND AOM, DSS, Loperamide, 5-fluorouracil, oxaliplatin, calcium folinate TR:TREATMENT_ROUTE Intraperitoneal injection/ gavage TR:TREATMENT_DOSEDURATION About three months TR:TREATMENT_VEHICLE normal saline TR:ANIMAL_ANESTHESIA Pentobarbital Sodium TR:ANIMAL_ACCLIMATION_DURATION 2 weeks TR:ANIMAL_FASTING 12 hours before sacrifice TR:ANIMAL_ENDP_EUTHANASIA excessive anesthesia euthanasia #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites Extraction of serum： 100 μL of serum was taken, mixed with 400 SP:SAMPLEPREP_SUMMARY μL of extraction solution (MeOH:ACN, 1:1 (v/v)), the extraction solution SP:SAMPLEPREP_SUMMARY contain deuterated internal standards, the mixed solution were vortexed for 30 SP:SAMPLEPREP_SUMMARY s, sonicated for 10 min in 4 ℃ water bath, and incubated for 1 h at -40 ℃ to SP:SAMPLEPREP_SUMMARY precipitate proteins. Then the samples were centrifuged at 12000 rpm SP:SAMPLEPREP_SUMMARY (RCF=13800(×g),R= 8.6cm) for 15 min at 4 ℃. The supernatant was transferred SP:SAMPLEPREP_SUMMARY to a fresh glass vial for analysis. The quality control (QC) sample was prepared SP:SAMPLEPREP_SUMMARY by mixing an equal aliquot of the supernatant of samples. Metabolites Extraction SP:SAMPLEPREP_SUMMARY of Solid： The animal tissue samples (25 mg±1 mg) were taken, mixed with beads SP:SAMPLEPREP_SUMMARY and 500 μL of extraction solution (MeOH:ACN:H2O, 2:2:1 (v/v)). The extraction SP:SAMPLEPREP_SUMMARY solution contain deuterated internal standards. The mixed solution were vortexed SP:SAMPLEPREP_SUMMARY for 30 s. Then the mixed samples were homogenized (35 Hz,4 min) and sonicated SP:SAMPLEPREP_SUMMARY for 5 min in 4 ℃ water bath, the step repeat for three times. The samples were SP:SAMPLEPREP_SUMMARY incubated for 1 h at -40 ℃ to precipitate proteins. Then the samples ware SP:SAMPLEPREP_SUMMARY centrifuged at 12000 rpm (RCF=13800(×g),R= 8.6cm) for 15 min at 4 ℃. The SP:SAMPLEPREP_SUMMARY supernatant was transferred to a fresh glass vial for analysis. The quality SP:SAMPLEPREP_SUMMARY control (QC) sample was prepared by mixing an equal aliquot of the supernatant SP:SAMPLEPREP_SUMMARY of samples. SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY For polar metabolites, LC-MS/MS analyses were performed using an UHPLC system CH:CHROMATOGRAPHY_SUMMARY (Vanquish, Thermo Fisher Scientific) with a Waters ACQUITY UPLC BEH Amide (2.1 CH:CHROMATOGRAPHY_SUMMARY mm × 50 mm, 1.7 μm) coupled to Orbitrap Exploris 120 mass spectrometer CH:CHROMATOGRAPHY_SUMMARY (Orbitrap MS, Thermo). The mobile phase consisted of 25 mmol/L ammonium acetate CH:CHROMATOGRAPHY_SUMMARY and 25 ammonia hydroxide in water（pH = 9.75）(A) and acetonitrile (B). The CH:CHROMATOGRAPHY_SUMMARY auto-sampler temperature was 4 ℃, and the injection volume was 2 μL. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC BEH Amide (50 x 2.1mm,1.7um) CH:SOLVENT_A 100% water; 25mM ammonium acetate; 25mM ammonium hydroxide; pH = 9.75 CH:SOLVENT_B 100% Acetonitrile CH:FLOW_GRADIENT 0-0.25min, 95% B; 0.25-3.5min, 95%-65%B; 3.5-4min, 65%B-40%B; 4-4.5min, 40%B; CH:FLOW_GRADIENT 4.5-4.55min, 40%-95%B; 4.55-6min, 95%B CH:FLOW_RATE 0.5 mL/min CH:COLUMN_TEMPERATURE 25 CH:INJECTION_TEMPERATURE 4 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 120 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The Orbitrap Exploris 120 mass spectrometer was used for its ability to acquire MS:MS_COMMENTS MS/MS spectra on information-dependent acquisition (IDA) mode in the control of MS:MS_COMMENTS the acquisition software (Xcalibur, Thermo). In this mode, the acquisition MS:MS_COMMENTS software continuously evaluates the full scan MS spectrum. The ESI source MS:MS_COMMENTS conditions were set as following: sheath gas flow rate as 50 Arb, Aux gas flow MS:MS_COMMENTS rate as 15 Arb, capillary temperature 320 ℃, full MS resolution as 60000, MS:MS_COMMENTS MS/MS resolution as 15000, collision energy: SNCE 20/30/40, spray voltage as 3.8 MS:MS_COMMENTS kV (positive) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples F1T F2T F3T F4T F5T F6T G1T G2T G3T G4T G5T G6T H1T H2T H3T H4T H5T H6T B1T B2T B3T B4T B5T B6T A1T A2T A3T A4T A5T A6T F1S F2S F3S F4S F5S F6S G1S G2S G3S G4S G5S G6S H1S H2S H3S H4S H5S H6S B1S B2S B3S B4S B5S B6S A1S A2S A3S A4S A5S A6S Factors Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control (22E,24R)-Stigmasta-4,22-diene-3,6-dione 50736189.71 8400455.972 36731538.19 4919704.571 78964518.42 45843462.58 28128870.22 41346809.94 28646388.67 1866086.238 31942016.72 54763170.99 12620539.34 12381298.78 10120857.86 33653598.98 19764981.78 28846635.27 49345037.73 6865152.258 17981468.11 34858937.83 10847792.4 17357635.15 14288720.33 36674325.1 42572274.35 24532863.12 20955168.08 20386525.07 29315732.72 45215108.94 38996804.64 38090181.95 23203947.25 42100013.47 31127011.03 32604800.53 27148643.61 16778856.33 12263899.98 65834185.49 9381117.747 7783511.123 7756594.679 26157084.01 25737400.88 22192813.68 7424985.121 8793924.864 11677015.79 6961976.785 14007861.48 10453977 9513387.406 7509150.803 9550147.762 4908104.534 6813903.859 11145575.71 (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol_3-glucoside 474254.5459 236866.6742 311790.7128 353329.1466 442924.9204 503955.4473 304780.9652 531183.7531 248098.1469 270566.3188 475425.4878 151315.0423 369693.169 184627.6974 420695.9442 253193.1571 314683.981 569164.8098 261887.0507 373109.2464 258767.9145 393536.1667 406567.4844 343305.9101 451461.2805 349165.705 394126.6676 264749.3791 365694.8279 260848.9851 534900.0946 607053.1563 516131.7054 519159.7101 554624.902 474585.9025 513889.8189 628464.1189 505370.9928 617958.4155 568523.7997 517218.5684 487424.313 526807.1595 502977.5229 497133.7201 500647.4202 485959.4862 531782.6093 513901.3478 524570.2258 549789.8588 545223.9028 518438.6096 503453.1922 611186.3232 519565.0081 508349.2789 430849.6676 571899.5463 (2R)-2-(2,5-Difluorophenyl)pyrrolidine 74159140.89 4897642.308 72597206.62 8726884.717 48793769.53 56218915.71 57423182.56 65688578.65 78259338.29 4667293.368 59601368.85 53354007.63 53133156.49 59106647.26 47339103.92 42906228.55 54754154.9 68420591.33 83322327.56 12820037.2 9113481.642 24009142.8 14933710.9 13724347.78 44890144.51 81566895.09 98768324.82 77076608.19 93559716.6 90463630.25 21209076.11 20675143.18 9091702.44 8893197.312 18701511.74 14869539.56 12442884.95 17341995.87 9336632.917 16584712.89 17894864.72 7837330.114 21909764.17 21853690.44 19027104.05 11400553.34 19493795.01 17467369.77 16528811.34 25784918.12 17969734.33 23116408.41 15518710.86 16750804.8 19689826.86 21078697.25 17125498.29 21366609.88 17861537.29 14535773.32 (2R)-3-Hydroxyisovaleroylcarnitine 47248206.39 21988869.14 40961718.44 26097148.66 34536704.7 37693394 40156325.87 49428693.54 49917198.87 16710315.61 34603292.97 46212704.36 56862860.98 45858783.37 59606023.19 38538961.54 31514104.79 29298458.7 53984652.9 23916556.21 23512911.43 45714642.03 23860874.88 27954380.83 33729976.54 55010594.93 45374920.27 43518830.14 47211677.41 43686063.46 588853.5429 578053.3438 353961.4939 339347.0261 625614.019 787152.9911 392823.1275 301074.1349 265381.1508 375806.6182 324230.8416 397535.2705 829163.6444 530973.8766 607114.5971 454593.3062 602554.0036 633794.9269 595728.463 837814.8747 521053.3023 625661.5886 428959.4339 517506.9647 568708.1265 460374.1343 342828.0774 706062.8476 422187.0492 389896.7836 (2R)-6-Oxo-2-piperidinecarboxylic acid 2356561.237 972059.9714 3036155.687 1824883.454 3374257.236 2051132.165 1936627.378 2329418.183 1038146.818 608944.1005 2265344.4 2460450.773 1443319.955 1359947.391 2191725.178 1963771.962 2407989.607 2413900.692 3814623.962 1640770.597 1087891.502 2184902.7 970394.6637 1080787.213 2248733.801 3626320.578 3193485.914 2660333.982 4360250.231 2641307.109 2732762.92 2800336.994 1737916.742 1635245.13 2322577.149 2119255.92 862501.4118 2526057.215 1611949.767 2983091.058 1577409.519 1707061.939 3055874.469 4740916.22 2932055.083 2223589.523 945042.375 1829284.353 2244248.101 3282328.723 1355726.925 1469513.921 2436740.676 2348379.518 3179866.757 3197366.641 4814356.381 4227781.66 1772414.235 1547626.711 (3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al_14-xyloside 2887896.172 135828.1849 52969361.14 10912.38696 3449929.51 1897334.966 7517812.129 14857388.45 24787515.96 360393.7168 1734445.622 2766139.182 3735487.628 11051240.72 1631099.774 11723768.94 381185.5932 502453.0565 4107308.406 10124.05793 2449078.1 4488683.595 179662.6481 2608364.665 2135595.924 2157906.632 731047.3129 666877.909 1313194.368 745632.1666 243353.9946 432260.1531 813038.8057 551725.54 200428.5643 81762.22655 404310.0032 447864.4705 398323.6898 369359.5093 389822.3177 365172.2826 203344.5992 350765.9727 318283.8111 420632.4202 395360.9162 275955.4127 176711.1368 291331.3667 136726.1367 198264.5902 305518.3048 305444.7372 766666.2148 213378.6735 178270.1457 591543.4128 136880.0504 515683.4303 (3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol 35680777.88 4911497.376 23331107.43 6352058.691 21427842.61 15117611.96 19165612.2 18282010.8 22063124.21 2618938.661 22970401.61 18714271.34 10491848.91 10004385.28 1727125.646 15371774.1 19686823.98 17926480.93 10865400.04 5507851.947 4004341.698 4692743.292 6480291.367 3503060.349 5789163.191 5126153.664 10307217.17 8016620.15 8052455.429 4932178.336 24319171.78 22691986.64 32445612.41 21720608.73 25500853.32 23760503.18 23134387.31 32914988.6 18556734.44 26980916.25 32241684.38 26469861.88 37542339.57 32230671.76 29900881.06 26787064.8 27748671.06 39098478.42 27064326.63 21283481.74 36290631.96 38805850.25 38557053.77 36391152.73 34237733.84 33638940.52 36321740.79 15381733.12 247493.03 30396549.43 (3-Methylbutyl)(6-methylheptan-2-yl)amine 58742856.18 1106566.211 5750205.96 3485517.817 29949965.03 5903699.497 49634414.89 12327051.45 63447826.36 1158611.459 33442442.96 6493826.568 4056126.2 11762242.21 5950953.206 5037930.313 10433214.48 6091576.219 24763319.42 1791499.626 2608067.165 3318335.598 1448003.302 4529474.367 6156716.797 7040162.393 6632769.004 6843771.798 5980581.392 9045749.863 1438209.769 3017498.89 874320.12 548316.7721 1656482.832 1111226.872 1113492.199 722977.5435 622527.0907 1839889.709 1444905.249 385260.8965 464555.1253 1138080.449 236688.3669 578602.3739 416820.1429 291402.5148 403143.6939 747349.0423 413160.2743 218153.7862 1167737.721 219067.7831 333227.2315 420820.9467 196314.7042 639597.7857 223930.325 375200.2439 (4E,10E)-13,21-Dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl carbamate 598177.7459 137708.0119 700880.1359 191466.4704 381210.9001 83599.77117 467054.2177 311837.5348 1433655.156 97250.182 533977.9337 770371.5326 225762.5669 931266.2571 403519.1685 302366.1058 903343.6494 1358452.623 345482.3519 97397.1181 40414.54492 399821.7312 69725.95313 104279.3815 147650.208 875486.8639 654030.6698 369487.5634 162677.2255 696035.7005 4367764.93 3252786.419 3157333.185 2638782.688 4208685.299 2623728.302 3355932.447 4878859.232 3279218.342 2583004.985 3939562.344 1522758.928 15675088.18 13540628.85 18972587.08 5639123.75 6409147.356 3357189.455 4602982.872 9928406.326 7762539.986 6184319.912 6455337.852 3898095.175 4514426.198 9399007.119 399314.2805 8409948.325 9878762.683 7352526.166 (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)acetic acid 51806511.98 17663150.23 37161241.29 23032571.01 33283512.38 34837482.67 41772132.92 39051699.58 42383539.67 18130814.47 40104732.92 33636610.03 46475194.28 55442727.22 45069469.09 30917560.67 40963534.98 37706275.23 59503149.08 27040354.12 22846970.09 31951653.72 31061237.28 30429625.12 37713563.92 54351135.94 50846913.38 45233902.4 60941201.16 42303195.24 724741.0228 810959.4136 552769.1369 568483.8889 622831.082 702557.8569 710608.1161 1082772.726 620771.7041 612758.8544 581314.3491 417095.5867 1189783.399 855406.0888 841114.2318 734484.5154 672878.8322 658432.1644 596374.1177 839930.0683 687501.3036 728242.5423 670368.3787 620055.5785 502642.9677 636906.3472 775489.9227 761445.9809 641167.8582 677940.9189 (Diethylamino)(oxo)acetic acid 4364502.841 2093455.571 4202325.199 2235695.772 3575378.625 3018621.3 3474299.284 3997011.323 5313084.745 1430198.427 3888512.876 4297722.451 3486612.423 3957932.536 4150442.856 3130094.989 3686135.424 3807597.041 5246752.565 2916053.946 2521212.73 3403306.396 2770933.966 2878553.832 3870745.641 5167360.384 5283039 4775014.036 5102613.903 4534541.455 1971717.344 1763878.374 1135998.089 2070215.676 1078715.812 2164917.531 1274977.83 5033595.851 1038656.413 1166355.189 1564605.66 1558264.811 509903.8495 524075.4465 499649.7193 892780.371 1664873.81 1326028.201 741791.3946 775743.6398 791105.4634 894218.7102 803289.6487 696685.2513 966961.5721 677615.8632 560979.7446 899144.1623 515765.4116 985446.8044 .delta.-Tocotrienol 0 55648.52122 53951.88521 70841.53562 138020.7489 879522.4456 148208.0147 0 272043.0376 11672.66541 69982.52884 354053.6764 35942.56024 580741.768 328014.6535 83586.94697 17784.85413 81190.18834 87420.57388 48252.07434 297188.6995 122953.913 16916.00462 128670.0239 374495.373 201019.4734 238488.8268 13224.72458 0 119111.2826 7385126.605 7679667.796 7064051.896 8464310.926 3959882.09 7855900.668 4107166.777 5344439.662 3951862.276 2062316.33 1306725.764 11756988.03 1935122.569 1041206.043 1468291.842 4117048.171 4578043.246 3682918.201 1271301.5 1748533.493 2096785.79 1058045.442 2371237.913 1537767.218 1255894.56 958093.1586 1319233.611 649920.1767 696137.5606 2125264.82 [(7-Oxo-7H-benzo[de]anthracen-3-yl)sulfanyl]acetic acid 5364356.476 3324087.18 3003416.233 2265766.013 1434075.535 1518134.41 3823125.509 2842602.999 3536864.846 850284.3705 1316404.447 1715458.877 1644442.987 2169026.958 857913.9971 1894935.351 5564428.12 9897348.888 1049841.065 988224.3067 533662.3081 1249178.918 877323.8724 492992.4744 896497.9782 3372459.275 2569995.945 2390047.502 1321891.271 2882918.654 7367154.116 4896870.353 3968597.587 4023458.823 5091983.779 3305520.653 2673910.933 6051022.873 3438881.431 4304834.514 5301853.192 2142714.407 4679949.338 5125440.942 4227189.499 3688023.491 4171431.639 3762975.87 4183633.347 3865760.106 4804012.048 3997386.463 5118038.532 3355800.138 3581973.58 3901542.204 3645734.514 4738971.16 4351292.045 3892505.708 [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 11156470.16 7419749.531 9769478.029 8283520.693 9780636.31 10214848.68 10051303.78 9090140.916 9503092.295 6429373.991 10080690.73 9980770.899 10410287.37 10378288.37 9962210.679 9651028.491 9644461.158 11358622.6 9940203.338 8112834.52 7113830.772 8891813.869 8503365.101 8630524.24 10151763.86 11274334.82 10076156.68 10176219.53 10797574.62 9335412.804 8917055.865 9707078.834 6022310.282 6348756.614 7987223.63 7564454.234 4845222.582 8162887.501 4513436.394 7227573.577 7346084.568 4936664.576 9647773.049 8357406.917 7882835.796 8316378.76 10024848.21 7712453.884 6532145.381 9514940.038 8174384.879 8514326.316 9398974.024 7295856.201 7796351.324 7043499.637 9795993.367 7978039.468 7311165.504 8538732.746 [4-(3,4-Dichlorophenyl)-5-(4-pyridyl)thiazol-2-yl]amine 14674455.4 11786464.21 11339631.45 14030566.32 12164245.34 13940561.45 12690336.78 15877435.56 15009002.33 10423944.98 12997695.14 17532300.81 19371634.52 15332716.61 12636448.76 13316819.84 11979593.78 16604453.04 20552601.57 15643958.83 10973554.29 14780938.82 14636207.68 8738901.588 9680750.047 13609748.68 14478053.26 13171769.85 13634738.71 16543195.94 5454529.363 7669364.064 4348251.905 5816318.812 7643497.794 6541625.764 5261568.39 6758735.119 5168432.371 4064281.7 4411059.713 5900116.607 9109449.918 2687842.22 7893832.056 4520945.684 6909449.962 5540843.438 5219899.413 3261752.024 6134654.365 6679944.271 3987459.923 3080500.805 3868316.646 3619134.658 5259227.065 12143647.67 7626682.862 3603037.572 [4-Amino-2-(ethylamino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone 89213167.05 25966578.39 83201119.02 35046733.79 37107235.92 20912770.18 68273980.83 74975189.78 115425315.2 9465759.559 72813102.5 79548960.46 50127350.23 69380097.6 30365438.93 63542934.51 102297144.3 95114646.2 41581077.45 7204494.529 4648859.284 6576583.143 6813981.074 17985087.58 13863566.67 17622857.67 23146332.16 28462360 28275962.46 13828206.84 7925275.669 6248255.667 5537127.943 6000271.834 7922329.618 8965589.388 5678013.433 6075257.802 8627405.867 6935105.249 6627568.451 10124893.93 10551581.89 11242449.43 11635647.33 6596464.566 11644779.45 8172442.829 3969764.656 6717471.557 6710275.599 5061965.789 10055134.93 5089569.588 6012597.754 2102350.005 3969893.268 8462743.109 6521854.829 6079554.865 1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 86643338.86 42468153.14 75410358.23 48831774.68 48798678.87 47323974.98 66758982.8 58211853.27 56248553.47 27684684.67 58681334.1 61796856.32 39968167.79 55647871.01 40971397.23 56677886.71 75274217.29 76217323.6 56199809.09 49023454.39 48210282.02 50451130.58 44878142.51 39440836.59 46095486.36 47986323.19 53143460.98 42183612.12 61883825.5 46425861.19 91718049 75048223.36 100379175.3 69771862.88 79589938.86 55863185.49 74419907.91 133550480.4 72361126.47 134403603.5 162166016.7 53450621.88 96087980.85 105781219.8 111150659.1 74938539.62 71494516.52 93586765.14 82328860.05 89492724.28 95351377.13 89200012.77 86319938.35 75569553.68 110467380.3 107896365.5 113069390.3 106031568.2 117862366.6 104389394.5 1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine 5417078.074 635924.9674 4247410.767 6591513.758 2829903.912 3008717.929 3768275.442 3062773.446 3509083.05 5737678.736 7988159.669 10189510.53 1834704.924 3088638.717 3041309.375 2043180.926 5597465.226 3287157.557 4875028.848 1402029.397 9610689.06 1233749.453 1480381.461 5899256.254 1446920.676 811501.2218 256234.5176 128053.5665 4187327.021 217484.4529 98016825.86 72399712.27 76070024.45 53581132.5 88576592.53 47372247.08 56211111.39 107118828.9 56133853.25 106446335.4 116976604.9 40983405.08 134737793.6 125749794.4 138845587.1 80908961.83 68230665.07 73969023.35 121504795.8 121585722.7 134709176.6 140320268.9 137187031.6 103922141.4 141623292.1 140398113.7 156465975 147443156.3 162296750.8 142781639.4 1-(2,4-Dinitroanilino)-1H-pyrrole-2,5-dione 658330.2631 1001971.921 754171.9337 423158.3165 3522707.02 1187754.104 806565.5459 1142528.468 1094151.433 799303.3352 842955.8296 829366.2343 1297475.891 2726241.792 3278685.416 1009208.18 1242922.8 725949.0878 1009696.436 296989.1899 1125925.159 536465.9307 298236.2697 385825.7897 526751.8791 573837.0687 1068357.986 1261631.243 936406.1767 721593.5585 6280489.514 6746408.778 3836648.247 2985917.886 6502651.632 4856547.844 4600210.354 997050.9251 5673499.801 6669612.497 6491558.002 4123002.721 7159000.085 7105156.547 7196212.372 6924941.962 6442038.074 5470774.672 8720990.992 6491422.906 9608612.24 9790668.838 8234365.932 9581158.727 8393273.211 9145307.042 8160801.744 6784447.527 8146075.792 8689465.022 1-(3,4-Dichlorophenyl)pyrrolidine 20525070.45 11991986.42 16538843.96 13882787.2 16459711.82 17989205.5 15710230.07 21653658.62 20382117.98 10795437.28 16259555.18 23742996.05 23229627.23 20564013.72 14992662.6 16122472.84 14993815.19 21851552.03 27599754.02 17007825.45 11271817.74 16239233.64 14762564.77 9426634.259 11330542.66 18817628.21 19526476.34 17950139.56 18137038.55 11452221.11 5827515.325 5906348.109 4889381.978 6166774.737 4677586.361 7190334.773 6339069.451 7228078.114 5708908.879 4429170.162 6265568.562 5857944.946 6035594.973 2735148.606 2486127.513 5594926.892 7663384.279 5582443.959 2975411.5 3228136.986 83670.26101 3221248.936 4331980.779 3017486.722 4162161.149 3878354.506 5351207.208 8035851.225 6129734.989 3326723.728 1-(Cyclohexylmethyl)proline 3414164.179 6167607.966 6387640.12 5065795.049 9681113.629 11520430.39 9746016.412 8046825.874 8705116.931 3553185.295 11918015.61 10524700.09 6130457.475 12499198.47 6488592.31 2912938.897 7906191.63 12017759.85 6381597.337 5114253.64 7974913.952 7525189.129 2361759.791 8286504.575 4905996.781 3804462.389 11497646.93 7113047.313 4997792.725 7465241.691 768447.2827 1446599.828 1103042.894 774039.1126 1527987.911 738583.5547 1270802.107 864751.6456 833308.9259 578503.053 635301.6546 455431.286 1013712.099 824569.9931 712906.4712 787242.4528 1026964.426 1344511.479 1609822.634 1190977.996 951649.9484 1064498.298 807175.102 1180370.038 1471934.266 433510.5033 446928.5168 458517.3174 774163.5997 545879.4482 1,1-Dimethylurea 2876409.209 3646086.934 2391057.844 4465770.829 3883204.588 2584120.333 2698760.46 2702531.259 2863812.898 3437501.965 2091376.701 3130285.093 2955150.372 3536657.845 4486502.199 2320759.459 3327032.415 2953896.673 2397605.187 3772896.604 9276954.435 10638897.73 3661676.824 3692271.485 2004717.364 1901665.685 1693190.244 1632922.586 1476893.848 1839389.929 6445089.018 4681973.841 5764988.63 4284018.586 4687868.452 4942208.736 5345463.861 5810303.152 5027920.955 4673912.67 5027171.792 4743544.586 6245745.401 6089150.212 6463659.396 5500823.439 5541957.108 6420202.792 3513391.989 6575690.35 5007655.225 6244084.408 3323835.313 3820228.702 4445688.656 4920033.28 5042406.493 4986348.7 5843892.353 4210370.744 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine 1822365.965 656700.972 2049858.013 562500.3354 1500896.152 1498502.499 1948821.959 1340633.194 1825540.772 933256.3129 9163611.198 1921859.538 1850340.532 3039541.058 2704422.382 2082492.602 2813989.787 1506103.536 2416262.174 1587075.812 1020769.833 1148697.933 1863963.439 11967747.18 1095545.122 858435.1346 772846.6643 1247450.231 2814691.425 617165.7969 2490501.021 3734061.857 2895371.677 3063516.327 2759927.467 4057083.167 3733117.899 3286050.163 3135961.054 3799824.191 1987196.638 5535137.839 3280717.185 3930716.993 4435422.303 2619139.793 3046004.228 3756613.639 2285168.413 3047980.727 926440.4473 3246850.025 2183556.318 3055066.169 3133800.053 1127601.942 1001006.156 2373948.666 802417.068 2034718.234 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine 72297551.89 44177285.79 105223700.2 43669557.6 62352693.55 62691744.85 69472207.41 77358432.02 90135777.69 84523597.63 62706380.3 73851044.46 336167577.2 131240730.2 125458733.1 83963101.19 95368328.31 115280080.7 344740003.8 154081834.4 50699146.55 56615852.9 56584753.47 48445218.72 148508951.6 30449063.85 23888809.6 16980424.64 135209902.2 35362607.52 15269843.13 19997942.83 19107323.57 17958634.45 17038294.95 18764931.29 17331086.94 17811534.38 18038904.04 13835579.74 9332275.995 28755619.15 21431256.9 18570004.75 24573665.77 20319612.49 17302472.72 12318232.55 24598678.3 19310705.32 21476659.75 26307869.54 18096322.57 25167751.15 15700328.62 21765284.93 16866934.77 11254366.65 15415613.17 11808843.31 1,3-Dimethylbarbituric acid 2570569.908 861721.5642 1559804.999 774414.4799 2074417.553 4243710.624 1822919.413 1883995.445 6631035.263 7026039.123 2933737.348 5448676.188 2418473.994 4398559.228 1625275.439 1494736.277 1968035.69 2886005.077 2956663.047 1369771.093 6977642.016 452832.8998 743527.1209 504737.3389 8471599.45 978058.0992 840231.2074 1042352.418 3029978.683 1696586.821 897842.7535 6127760.395 811174.0334 989590.1279 841707.8753 5122370.986 5230059.597 6268336.995 1181743 374721.0221 566827.7278 624463.3429 428524.4177 591646.3957 671672.4207 828559.8619 367892.8899 2872237.81 1277151.461 585179.2242 551643.1211 4738144.458 526768.9769 850293.8561 517132.5636 588953.8562 322353.0101 4801010.429 1247469.627 778327.1662 1,3-Dimethyluric acid 187235.7333 135371.5085 1570361.17 130851.5709 213146.0391 70112.82036 236326.9675 367486.4326 2313070.421 225024.9083 48082.48836 97369.25841 3430230.761 3895873.635 7395655.562 502675.531 220014.9113 359935.3481 12671802.08 1045946.694 1253435.945 2834343.896 778273.1952 1363103.706 2912381.108 11374977.02 3587837.138 6225756.925 5532994.78 7531129.535 4018311.413 3453031.809 1771571.439 647014.4115 3706030.383 65368.09817 1452532.81 155791.2962 318889.1749 2135218.709 5764714.771 137512.8503 9676116.015 11641426.33 8704342.456 2538773.185 1856463.913 2567427.129 4891467.337 7382767.239 4805124.413 6895620.427 4320042.071 4784341.761 7503743.016 7872368.752 8162555.522 8659841.447 8585564.275 6672125.54 1,3-Oxazinan-2-imine 2357179.85 3480359.072 1401552.799 5637531.504 8899568.316 3826516.453 1785066.627 6566110.772 1938576.72 1293897.785 2475436.418 1950728.659 8818804.862 6172218.154 6146688.407 4335333.872 6350650.665 1901727.065 1882079.268 1215639.454 3339902.671 907981.8218 1311220.708 884226.9399 19807605.42 5061247.724 3814808.531 412667.3293 8364432.554 658541.7424 3189798.379 1331705.039 3140723.984 2123499.652 3254471.135 3212154.373 3627184.802 2319866.845 2172763.096 5864235.429 2128323.14 2316925.053 3178795.227 4895496.184 1478972.965 3691841.807 3280201.196 5457018.71 2071327.396 2017055.259 3488823.952 3491360.395 2134299.595 1832428.475 3346070.955 2209623.69 3203023.339 1849877.951 2966727.749 1735550.617 1,4-Dibutyl benzene-1,4-dicarboxylate 1095823.423 1271103.595 1244890.428 1230728.49 1530420.741 1135888.49 1262869.86 1235698.115 1500119.588 1115331.233 1462055.454 1888034.048 1409275.332 1754178.846 1874565.489 1274100.973 1600853.253 1430103.271 1273794.945 1192711.307 1242213.31 1275635.999 1188857.746 1181624.792 1268732.436 1215174.501 2031221.141 1249036.68 1052412.935 1248673.935 3626629.184 3910458.631 3492003.132 2963004.257 3615727.019 3094281.118 5908480.638 4047637.162 3116652.524 2856387.214 3141417.523 3226835.91 3591208.952 3344282.765 3922413.673 3048375.517 6019177.201 3296099.913 3660892.318 3285623.22 3202651.705 3456251.489 3292934.237 3349674.529 3384364.81 3725768.899 3759078.665 3449770.539 3405553.43 3757829.529 1,7-Dioxa-4,10-diazacyclododecane 4129400.921 842774.1572 4729126.084 2411813.049 4539004.723 2170215.575 4089403.958 3103070.038 5462421.678 780721.7508 4182603.513 4119707.744 1888806.726 4309975.554 655316.29 1808914.652 9025884.384 7886187.128 4358064.38 813297.3992 1050414.399 745627.237 774435.2235 577315.7135 379495.3954 1219687.387 2153108.13 1802641.548 1315078.189 697185.2448 17884434.17 15816490.62 12982429.01 12301596.4 10472967.58 8791128.14 8660706.896 25772623.58 6023039.668 8227632.378 6410659.35 11503545.64 5019043.529 4520048.442 4740102.009 5276465.291 6558323.212 10965225.36 8615998.124 11428009.29 11083184.18 13414991 10458841.69 7980269.91 5278466.324 8824597.504 5664880.84 5056352.594 4774697.343 5135837.172 12'-Apo-b-carotene-3,12'-diol 1891680.344 372619.1502 1223898.957 129377.4315 4219626.976 1340031.198 967021.4885 1229704.719 400313.3705 23072.62661 687159.0224 470252.5618 310825.6478 177781.8101 116849.0368 1215951.642 246958.6514 978450.4557 1309583.877 421455.6817 337972.7983 1008349.868 329236.1488 132982.7748 184768.327 861654.9569 1470705.651 637999.897 238000.6634 510701.5484 5455491.582 4057049.564 5493801.526 4446420.22 3167602.736 5997985.386 3829234.546 3899457.767 3053306.291 2167822.937 1462511.228 7761164.697 2689101.624 1930979.318 1622753.468 4303327.853 4416045.721 4378930.271 2889184.585 3881779.819 4218039.91 2473606.12 4717970.392 2592727.581 3578765.61 2011304.826 2485850.145 486512.015 1755471.789 3325940.558 12'-Apozeaxanthin 4409618.044 432930.7267 2024856.849 399738.6395 2594517.584 1584483.943 1756122.661 1813166.158 1367625.281 71772.86295 2372294.611 1437208.753 797642.6654 676361.7456 95080.06836 2302798.079 567942.2042 2308241.04 1690785.591 593456.128 579008.3305 471811.9497 474389.4554 270882.8545 387684.5823 111062.3431 664230.8741 330680.3914 269483.6915 0 879393.5297 1176490.428 1143111.374 606849.5063 805093.9981 1111581.636 794760.5795 938446.2719 545986.5142 266987.1098 0 1044050.752 370437.369 312380.3825 0 727602.663 759735.7977 366251.3138 650182.423 420576.4539 1589705.477 643857.0295 1740956.432 518404.16 898711.6658 282360.1596 145642.5382 306255.9495 428555.5681 889477.8277 16-Oxokahweol 320999.3021 275026.9319 349847.3973 281500.1521 87664.41139 73200.59191 61470.39009 281937.9139 1253698.147 154091.6697 93426.57456 87949.35627 2975056.475 1841045.667 21991519.99 75333.65233 413217.8189 72282.56076 10955701.56 256974.5797 581611.9937 1161809.895 469370.5261 347850.1562 4968993.027 12511574.63 5123758.485 5591238.704 15140677.6 7939122.344 1089269.476 2677063.825 3087757.906 3119609.101 795507.4169 2763021.272 1631382.691 2811417.694 2795028.353 2090558.351 1774122.498 3329621.462 342707.0339 0 0 2253225.625 1739400.151 1366917.336 2489998.528 801658.9388 1796073.117 1552580.704 2869265.832 1989158.86 1201863.785 1248296.516 1096604.795 535988.2784 529496.4151 2124044.78 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine 13841637.84 1986813.789 17850800.1 5088548.35 19390602.31 34711399.35 18807734.56 19104711.89 22621804.53 7060828.906 11518148.94 24555367.66 31190413.95 62216168.92 105819750.2 10814187.64 16172183.41 14780266.42 60111212.02 12222629.64 17023079.52 6688349.62 13712184.68 9420107.337 42153000.64 2886321.739 3470254.795 1472961.264 74528487.9 5440513.563 62026957.01 58946765.37 67775994.12 50917284.5 53401518.71 72069218.82 72299084.57 84180044.01 64803539.96 81700604.76 78830271.17 68889276.75 63190935.11 72521721.17 86575809.64 60848713.72 75048052.71 81805528.07 60912424.54 62595393.32 52588249.14 51126061.35 43772504.91 64328203.39 78965350.48 71690488.99 64195110.33 72934462.43 73916443.76 55302785.77 1-Docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphocholine 5589050.071 5689455.319 5218920.976 1968421.932 5507927.087 4057302.565 6818516.497 7284806.215 4523165.945 1742707.779 14352035.98 10002326.56 5313400.253 3538075.483 4372198.662 3401670.083 4800100.381 3990802.379 4801128.573 1764429.934 1539755.689 9571743.86 2060243.462 580091.679 1554667.405 1285800.788 8973804.892 10987272.64 5220969.586 919659.325 19040237.07 42443602.71 48087094.27 55331292.18 21461105.26 104153432.3 213427372.6 39681695.11 46268780.42 28614746.13 16069666.28 180558761.4 5743888.31 5174342.758 7948344.353 120141651.9 248930700.5 28780001.75 7900490.311 5090846.546 6016761.908 7110096.949 5066591.096 9779201.653 9234193.975 6013019.037 8095196.33 4838068.732 6995376.56 2854097.377 1-Dodecyl-2-pyrrolidinone 6081340.427 1164348.156 4945840.991 2048050.139 450460.6968 6386911.279 5230928.025 295126.9264 5025313.439 824784.2079 5258640.622 4956339.608 2979214.026 4823114.478 3612628.778 2418682.818 355763.171 5304224.414 171317.6784 1174299.862 1617218.822 1779081.036 1286327.159 2108411.911 3712087.199 7122934.765 3962683.394 8138666.593 7073671.389 9671655.972 706792.8278 650189.7841 368458.2243 282630.1211 509322.9617 432319.0132 115074.634 394966.4627 219769.6656 231235.1313 316247.9463 0 1839482.71 1067593.272 1766347.104 445158.4578 428289.9312 627179.0757 240561.1104 1181863.15 752810.9912 938658.3753 1065459.086 802673.4308 650266.3314 470339.3425 1009302.077 1712936.642 870987.3874 775307.4668 1-Hexadecylamine 25459416.13 1985612.932 14685692.12 3328966.146 15208089.38 19544749.01 13951373.41 16468993.21 13732421.88 2302811.628 12500697.72 13946326.97 8412288.679 11763232.07 14662287.46 10372652.05 15419757.7 11113418.87 9762146.365 1832090.907 1754159.82 3545701.935 2257382.813 3113367.209 5529400.486 15478210.39 22001849.95 13840786.42 14249963.04 17222556.34 1779062.271 1525827.514 1666187.173 1685096.559 1923206.214 1317966.519 1266195.61 1817358.531 1391287.748 1413711.585 1117837.468 1202765.855 905325.9319 1208222.324 1382256.713 1413141.434 1623524.437 1311128.787 1296836.4 1592666.833 1417300.355 1419804.812 1033931.799 1613425.876 1531612.723 1274212.386 1114000.829 1206636.221 1401364.291 1226584.178 1H-Indazole-4-carboxamide, N-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]- 6159789.54 5503751.678 4696490.734 13722376.11 9792772.247 6340765.226 4375856.646 10517259.17 17615734.6 2580269.688 6707949.875 4206633.47 7272371.865 15921737.05 18277241.74 4397080.682 6422504.184 6985207.878 11629608.44 6955651.738 5108983.871 1708150.823 2904374.852 8033642.82 7762837.64 666734.4842 1362004.527 2321289.207 9673618.602 1508157.645 69971181.73 78305570.09 62035474.65 60067823.09 75030307.61 43644551.32 59509870.42 92956054.39 35819077.51 38530884.32 50282352.19 60065625.1 120100063.7 118294904.9 123406618.4 68860718.87 72413530.27 40335961.9 77244307.51 105526421.1 92593929.9 106079879.6 96695737.49 85837120.03 99281250.44 137091235.6 94050612.23 85739099.62 96401498.96 92840154.44 1H-Pyrazolo[3,4-b]pyridine 2971769.685 2395214.307 1757652.695 5338813.055 296322.4101 311974.7353 389864.636 1118494.374 4446257.039 3047110.505 4492044.425 4420417.351 6441060.833 15489022.17 35614550.32 1371818.322 270260.2162 6906294.158 4152858.374 1851932.898 12683088.19 11387811.95 4283687.812 20081664.56 66324966.85 18548373.55 18263799.2 40145159.11 5574988.083 1714063.771 4250647.429 994606.5506 2416624.46 840345.641 1218796.434 130388.7533 442454.4577 796056.0806 400883.055 2051386.502 4216813.167 121572.1097 7366963.062 7139458.992 3864496.376 692928.5465 766576.8685 941571.0353 981530.2474 809872.7163 906659.8499 542089.9618 2698616.815 2762654.198 2195711.216 5318691.888 6680038.25 5028118.345 2310835.991 1422985.815 1H-Pyrrole-2,5-dione, 1-[6-[[(17.beta.)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]- 82902420.08 42630034.66 107858806.6 79636367.2 102615258.6 102008856.3 65309655.08 213139853.4 61745667.99 36605236.98 35281005.69 212820994.6 111509998.7 230243801.6 132786564.9 47541412.33 65053072.99 50228759.98 258940588.7 129459318.8 188117728.2 393602807.2 204889068.7 165456979.8 329712357.4 801181901.3 746777774.4 717173393.7 378676230.6 736182460.8 3541768.292 2194650.615 863756.1343 716190.7206 3453598.332 693881.6598 554129.6837 2036439.498 1163090.346 1510977.83 3157814.157 538429.3426 5050490.685 8811634.275 4225921.781 1937117.365 1925909.771 2943118.753 1204051.847 2726316.168 1950572.173 2515932.641 2164163.962 1932142.098 1517877.878 1051701.045 2867446.28 2813787.429 2107314.095 1357394.032 1-Hydroxy Vitamin D2 1539145.958 351920.2562 1969468.796 239181.5154 2752013.955 1481835.596 1634144.859 3297236.496 1611235.085 92085.21144 1000578.276 2366479.454 1389503.637 1159651.471 493007.9083 1541941.53 867425.3969 1059524.661 4207137.03 624533.8858 836462.0686 1842236.044 650552.6259 897872.456 1963979.477 2526232.101 3467033.727 2061875.167 3277978.266 1472717.691 966317.8746 378794.3628 2371952.603 978575.295 484581.6135 476663.737 891426.1515 1658226.621 978957.3676 528010.316 326954.2323 582269.7633 432337.1627 427499.566 482173.8589 336660.2784 605537.9431 890514.9314 714866.646 1096481.213 694180.803 447745.2835 566287.9413 552009.8435 104869.8242 159753.2325 322189.3939 146834.1291 231102.8987 283704.7587 1-Isobutyl-1H-pyrazol-5-ylamine 10917367.88 5083553.133 4623703.649 11712360.53 3812907.089 4120281.151 4214871.937 3386107.078 2879052.715 5440240.441 15223059.76 3409813.055 4752385.152 17135539.13 7481744.505 12160827.12 17953740.81 3841285.119 2732202.229 10062359.62 15935296.93 7182996.846 6177664.092 15217475.92 7150439.578 13936038.39 8455089.673 15193079.35 13771586.31 14733067.85 1771932.264 2519899.564 1854091.345 1970517.963 1943744.876 2202261.145 2497541.228 2003958.523 3287248.323 6075164.1 6092895.254 2418242.808 1898855.008 5603116.261 5175134.362 2221599.938 1834755.315 3522782.783 2494366.063 3427538.615 5798988.256 6051992.539 2655629.017 6308143.596 1906206.993 6317152.921 1921561.087 5667364.386 1711428.904 3767438.638 1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine 10659792.93 1503678.338 15180138.9 2940700.527 12036364.13 18356586.91 14782447.19 12225768.03 19425666.21 4823384.597 11392442.85 16498749.88 21041467.99 42559698.16 70288987.92 7615061.746 11616830.47 10442601.94 31377683.15 5872013.112 6553756.283 3542424.126 6173053.166 7145747.927 20392532.82 448347.1161 1878659.435 932133.4912 42058733.27 2811820.466 102515246.9 112976441.6 124126911.8 107166228.5 90837445.57 163082826.4 149571391.2 146241449 119281839.2 128939025.1 114314144 153393863.2 107855028.9 105749747.2 125078398.1 107540871.2 134701871 125360848.6 100256669.6 110544619.9 87828768.96 90759173.36 77090205.91 107979996.6 145905648.7 117038286.7 108571516 119201967.7 126510184.5 93825023.87 1-Methylguanine 61273913.22 10845795.14 48920158.29 14797273.82 24486221.16 27455307.84 35347516.89 31335795.75 35693588.67 5126258.251 29160074.39 63748542.95 14175261.05 19248676.32 13550299.57 26488823.03 40529703.6 78016211.37 20825073.1 6083604.935 13362652.28 7203587.389 5828075.196 7150610.779 14515963.29 22660887.25 25790513.45 23745767.32 16844405.14 20102345.38 22954405.36 17475407.95 10296784.88 11413486.67 15006655.86 13765430.05 7757228.907 31090895.63 8885669.808 10950976.13 12441326.17 10891799.02 8243898.821 7840638.614 7905820.14 9263411.773 12524444.74 9450800.47 9217096.55 6932438.138 8922823.19 7969025.258 7417368.199 7723690.083 7335218.344 7816633.188 6374212.62 6448948.01 7179292.135 6976259.675 1-Methylguanosine 22831816.73 9830559.438 20149841.61 12683460.83 10001989.76 14823961.52 27297133.39 13184112.3 20659433.48 4113751.08 25297695.63 16690012.35 9654399.992 13870163.23 11142395.82 17213279.6 34392810.35 100725020.5 10033146.52 4460108.54 6162339.766 5815371.817 4861935.568 5939105.874 8648983.965 22201573.92 12444872.87 17797925.99 9924791.561 30663792.44 6815908.065 4029344.539 2097279.917 2539903.693 5674418.931 4097916.751 2423839.088 8177842.786 3546030.803 4003110.962 4654505.446 2954012.815 7004506.042 7589361.136 4325238.769 3474912.267 4515867.903 2929553.707 7539396.4 5918697.373 7738529.09 8022142.854 8331133.42 6353167.88 5937025.601 6160251.579 5063500.769 5190294.985 5393451.496 5591999.783 1-Methylhistamine 201047710.6 29941427.4 253979045.8 64206830.27 111096083.8 69197003.7 187091553.2 170892297 295570468.7 32619864.96 236455010.1 211678463 77493175.36 260772338.3 61907778.25 64559746.16 295078863.2 149703804.5 183766197.2 39204006 9951847.404 59923630.29 40015643.81 62710650.75 27714442.29 51153473.12 36815706.41 34478516.77 45737514.03 26598802.23 13154606.93 12870497.13 3878318.647 6701603.436 8729324.18 6908219.649 4695099.006 12064644.48 5580964.749 4497690.062 5380338.927 7270806.445 6974162.885 3416471.255 4289310.987 4430224.992 8159452.102 5445450.939 9757780.59 10698778.02 10089599.95 10845439.27 10229808.39 10506000.82 7757503.97 7129883.965 6201551.225 6104168.502 7732577.491 5750620.243 1-Methylinosine 10505475.84 3766524.622 7036562.142 3938040.405 3336293.88 3772394.673 7916819.061 5144646.146 7390188.576 1453404.97 6315780.614 4774922.269 2758151.722 3679503.279 1787195.511 3757020.476 10421591.8 19167506.87 2705431.719 1713634.399 980003.9228 2099993.552 1601917.147 1498339.451 1780572.758 4301494.811 4328681.168 3331326.404 3307912.131 4273815.532 8541493.763 5354172.982 4986764.969 4604637.838 5533920.092 5323014.467 4079328.199 9464842.269 5263569.912 5585780.069 5631352.519 13640371.76 3592332.318 3589877.041 3584692.005 3885136.2 5714192.224 4366926.718 3988945.186 2970491.439 4115469.36 3725567.313 4065760.099 3403639.431 3337888.013 3065319.565 3161900.791 3236585.224 3163460.373 2844108.675 1-Methylnicotinamide 108121474.5 31073277.2 51409842.92 30653500.99 57390405.08 110703827.4 45986673.17 73339915.34 47777993.9 16549801.48 48927521.74 47600749.49 31035572.37 44002277.04 42034803.34 56671974.69 67751954.69 57424244.84 25604155.97 18114926.11 21923466.38 25280044.16 13547200.7 20539432.32 27566949.32 26187463.56 33618151.57 31567705.95 22826351.01 31717735.27 96586912.86 66763646.37 8049587.078 18266507.56 50568559.08 40091598.94 14155199.87 207495522.3 15097895.05 8572191.449 13119058.23 20213246.08 23718331.82 16450329.42 12294716.34 16879044.74 43412591.55 31114413.09 4890342.243 17993358.09 13149939.55 14774254.65 5404650.521 9444781.84 20898199.11 16446831.95 8440569.359 12767169.36 11567092.04 12363340.24 1-Methylpseudouridine 11258250.28 12458666.76 9193297.347 6238550.858 3664644.619 3373035.803 4471664.751 2668383.266 6447948.748 1816693.102 3045175.974 5708915.129 3133050.981 3057931.339 4037845.922 2630909.351 5942227.272 6782068.411 10587472.14 4227798.508 3849256.415 9225791.797 2144960.201 3421054.876 4154904.347 10593551.4 7533352.549 6158870.159 5802225.09 4009218.344 1827976.726 1697837.635 2603044.943 2650129.594 1678327.21 2380391.715 2322970.521 1925896.884 1862425.055 3183354.957 2742228.036 2142752.294 782322.9677 885041.3973 1274764.382 1713747.931 2134449.422 2769037.126 1031359.906 1147657.286 932691.87 957740.3747 873149.7261 1663532.036 936726.3311 906636.5669 927134.8687 925952.6297 1142190.108 1309806.013 1-Methylpyrrolidine 7379124.914 4328442.953 9383319.715 7042442.935 33527.24113 3926179.553 27731.48973 22121.88144 9046663.063 4650171.109 5483311.243 4350009.949 8021987.301 5103229.606 8336923.718 4735870.026 31111.17761 6144470.253 10277373.76 10244414.9 3847454.081 12054408.93 6726438.826 9836166.499 5507310.319 4896818.085 10699940.56 7825314.639 7421196.065 7334545.992 3387947.048 3884566.455 4560296.44 4530386.845 3482515.84 5437905.757 3510850.06 5160739.872 3055286.872 3265400.653 3651088.217 9205872.846 3354144.559 3142148.525 4787970.007 3461199.339 5535394.934 3064130.03 4111475.588 4069056.552 3660509.898 3585581.288 3488171.473 3952098.524 3335755.716 4561374.389 2897208.531 2890157.264 3859172.282 3217957.351 1-Octadecylamine 12505830.26 1335432.775 7815809.895 1372418.179 8361145.377 11284198.79 6449823.557 7986641.455 6233019.837 1454383.049 8178866.587 8253985.358 3942606.23 3549271.326 7542740.633 5425246.779 7476991.693 4808604.836 4021019.133 960115.4807 687393.8655 2228359.345 1687574.45 2540178.202 1874284.279 5992728.746 25663452.32 6493419.977 9379479.682 9139955.872 1848444.344 1324666.634 1484609.075 1221992.734 1338291.171 1225838.044 821385.4207 1260786.373 1048367.708 1338683.487 823609.1429 929546.1349 1129014.59 1087561.98 1124368.564 1249298.726 1283204.53 1208898.599 974787.8361 1198081.318 1240080.108 1024800.685 853695.2776 1330640.826 803497.4996 976079.8094 1141099.155 1234730.292 1329976.913 1163862.739 1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phosphocholine 97191426.06 25348711.08 142346657.5 57342678.56 138995812.2 159088905.1 98050179.73 176544854.8 156045197.4 55241220.6 64927740.81 236804092.9 436024352 429799810 361643544.1 63376318.34 106600189.1 123117786.3 326964481.4 90979167.4 54039090.21 42205567.39 55524217.64 35438349.19 242127356.3 22775834.46 31163485.3 14491592.31 271614748.9 31869731.52 106942092.4 120787032.7 72114445.45 63259625.79 108940487.1 67945833.06 76784933.29 132079539.4 85564121.19 115528581.4 200221081.2 50852287.13 159735792.9 178147375.4 178584161 130592509.2 122871486.9 164009013.8 132099733.9 139326488.3 134447574.9 131590749.2 125710341.8 137611977.9 133929684 141014210.8 113195560.5 144438753.9 124536411.7 103563224.7 1-O-Hexadecyl-2-O-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine 115939196.8 60791004.43 100654221.6 77166974.58 97300497.98 106039719.3 100890551.4 105250736.1 151311141.1 61032557.06 100598152.4 136721698.5 82329767.8 108428048.7 84146385.7 79900220.86 93192839.92 120508565.7 115820518.7 99781954.81 78817647.79 75468593.85 70708485.74 74143109.92 106908418.4 69010265.31 81186835.8 58161212.81 140666604.2 65842759.66 77257479.58 64692555.03 72656076.75 59882563.18 65495169.68 58599830.13 57791896.08 110365232.1 64163992.86 83411739.89 78725376.76 52035796.33 81704493.02 71215460.93 78513813.84 64605037.07 62603433.63 68338199.46 66599989.31 70607475.23 80648871.18 80158656.6 75828309.28 66478089.37 90203610.8 90655643.67 91379655.83 88843287.07 96344650.89 81465216.99 1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine 3811161.242 709472.034 4330957.026 1423113.356 5687628.04 4852810.366 3383783.246 3152678.157 6231265.063 856441.0126 19096941.72 8177351.351 4182383.312 3001990.93 2491572.226 3117885.546 3611789.397 2710140.818 4670178.913 1303970.737 589825.3154 873667.5592 1420867.126 6618598.642 1794537.974 658826.8963 660093.9195 599271.8642 4756944.325 484105.252 108447335.2 80900501.03 89072373.25 60911376.27 95570891.2 54645946.08 72524211.33 129671057.9 87830434.73 137734931.3 106971070.8 40174427.89 154242473.7 165477341.8 179909604.6 81648713.8 70685166.6 71324471.99 125711277.7 143600575.2 130731747.6 143051814 120239925 128901593.6 112148328.7 124151696 123262085.5 124834811.8 125796354.1 113684839.2 1-O-Hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine 4553697338 942248137 3319542338 1235025863 4799995023 5143413527 4048303520 4702564057 4560156660 598514790.8 3448314440 4432598073 3099420808 4506171691 4936299496 2759991196 4281172255 3728642818 5428208475 1457608997 1894787598 1703137560 1448539387 1455317874 3193966248 1179394193 1119350576 908458999.1 4718708992 1362055692 2240005.63 4330187.56 2674663.945 2403342.227 3911692.492 4226286.541 16598931.31 18282214.78 4572930.479 8445266.085 6013542.986 20424649.84 3644693.744 7181572.83 6991343.456 4368381.106 7119515.018 3196004.017 6389826.891 2403978.282 4183543.454 2719650.338 2417534.132 2138905.46 5118791.656 7182057.41 4440553.786 4894352.408 6812155.179 5256121.993 1-O-Hexadecyl-sn-glycero-3-phosphocholine (LPC(O-16:0/0:0)) 238483337.2 24753746.78 213077696.5 46445371.72 205331135.5 159664048.3 235839354.1 557406571 223547960.5 33869255.36 202386995.2 291201848.7 256024281.6 1237236873 445851559.7 82461460.19 159546596.1 141214926.1 1189148623 474235380.6 1339181346 3599522760 1300570588 1671892596 1938089550 5854824621 6856091793 6372386722 2597190934 5240955088 250034377.9 218818786.2 187895026.9 186144072.2 191616411.1 223751878.9 208654087.7 264582525.9 213019217.3 256855800.4 248610002.1 164408791.3 236194655.8 259457830.5 280491100 213144906.8 269377893.2 235141452.3 218308262.7 245775474.1 238316987.2 232130875.1 214347948 204969366.4 299453966.8 336705961.3 309116966 327767620.7 291910997.2 262991663.8 1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 20082781.92 2512391.341 54080361.25 12168219.22 9658543.159 6635996.878 18922618.15 6631658.462 26847672.23 4270856.153 38743457.86 10383373.26 154634334.4 14607940.69 94407574.57 6353289.333 67100767.6 8876116.945 194285847.7 10229348.25 2338358.909 4976215.01 4681369.94 14688612.17 6503728.68 1688567.348 1388513.122 1316934.03 107498899.4 1872644.71 81259179.12 76924604.07 83083344.61 72297490.14 72045968.16 84504855.96 72756174.21 80877281.71 75086405.98 70323809.01 51494503.25 91180527.82 98352864.1 88687089.17 144598138.9 79278652.02 74895874.5 57693716.53 99993259.11 93406126.19 90059851.09 108380709.8 69117828.55 107509460.5 87432794.16 84062088.31 73239827.44 56402238.59 65554428.24 54152557.93 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 11100714.32 2586047.046 9863782.455 3783691.515 10229391.26 8448261.845 8686244.726 8371144.35 11701642.77 3226897.907 17728128.85 23819283.05 5203584.683 8322150.829 9075496.576 53930638.8 10094116.5 7336729.626 12060874.53 4454321.594 3012382.622 3416532.205 4738763.886 36763478.42 4199200.602 23237790.79 2299200.441 1890444.985 11839710.87 1959225.645 3672606062 4909278420 5337500904 5519654488 3935220504 10134909390 5867002015 5291602873 6385930424 5381317550 3615135690 5712476036 1541628580 1738918892 1792156164 5123532002 5069775543 4121186549 2332088198 1972873845 2149281200 2138776622 2315581930 2524905959 2366202901 2215651113 1956916039 1772870530 1795509309 1955948732 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine 54986.67447 27677.66174 88836.58454 11932.23916 82170.1004 100610.6731 89681.21576 159486.8568 403087.0128 49293.57464 161175.674 152664.1716 77383.56202 128579.0234 117280.853 232707.7713 57910.86866 142699.9243 211261.5131 36434.6893 75100.04899 90778.76209 24775.33811 248915.7486 67568.20847 29185.70963 59558.81749 34399.10032 74496.92542 0 11676661458 12481939322 12418848309 11453214718 11422168166 12436786500 12200190243 19204947725 13978357355 10881923344 9433917474 12379287614 12755760420 11306319398 12307356166 19185204047 11177056072 10396892053 11228922361 10666164633 9907446346 11034681381 9068994408 11345290477 14067096215 13481058270 12908427221 11251631043 13544218502 10056211633 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine 9961019.817 1064416.283 10687109.31 1813312.628 12235969.71 5525673.39 10072264.99 7333922.798 4140450.051 2545044.327 100552656.3 18389540.74 4469068.916 4551294.061 5752206.72 20861862.09 5731853.417 7567878.35 3577665.275 3606961.071 1702184.497 2634950.239 3762396.521 57047444.71 3079187.724 3729270.958 3348474.769 4135529.577 12353519.95 4064676.521 19504476.26 12218849.84 13906573.09 9187099.271 29691038.33 3782454.541 8959308.087 15065985.22 11069133.81 22161653.51 25009199.43 3375613.494 33265119.03 33089739.91 31943665.75 15174553.65 12530946.74 24859751.81 19184818.83 25054027.29 21173898.02 26337017.34 23255465.42 20993165.18 21693600.32 28106520.69 32150549.02 23926433.39 26045938.72 22900750.74 1-Palmitoyllysophosphatidate 30015.50358 0 135081.0404 60526.73715 270839.6046 273223.5593 158209.5168 345302.775 283495.1066 19248.41371 82008.68697 260003.4933 385562.9005 481608.9229 489861.5291 117074.4585 227703.6865 206072.714 1357399.726 103920.1356 161150.13 213102.0289 115033.082 187986.0545 329929.4711 107539.2976 423578.0754 113666.3325 641302.2434 181110.2917 517711.2824 739925.181 661037.6676 441890.4365 536496.5542 421449.7636 347188.1423 585506.5995 636835.3649 641479.1705 409366.3128 270520.3228 423015.4214 230265.247 261070.646 540189.2018 753724.7041 664156.0103 590523.8378 460857.1663 902034.0048 860469.529 564073.2579 633707.9023 510130.9102 590129.9489 666296.1629 778541.3478 605082.0668 496107.7507 1-Phenylpyrrolidine 12287807.82 11656937.36 12758141.33 12574825.71 13976557 14229798.78 13120303.14 11458922.16 9834861.268 11671520.37 12777690.74 11680813.67 12981259.8 11770423.72 12665657.74 15768846.32 14938192.5 12107418.49 10726798.54 11558631.74 11114191.41 12038113.1 13243780.8 10987543.82 13676692.94 13494515.23 13438203.7 14320159.53 13811266.08 15042028.05 1673613.61 1914593.022 1864032.351 2243428.256 1555152.276 3229422.557 3695683.349 2068941.848 1490918.153 2616793.645 3722984.73 1327412.881 3241796.168 2333377.69 3408729.264 1879181.424 2992447.063 2645691.325 3024328.232 3085904.108 2445829.866 3339202.499 2652681.765 1188338.925 2355145.756 4633564.36 4054519.981 2918199.083 1488876.463 1416014.427 1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide 5427853.958 3193680.436 2234937.853 1684958.291 3860684.491 2404650.425 5569384.585 4756485.014 2349105.084 493660.5024 1021459.277 7606498.04 2252083.483 4015087.213 2279054.085 7002431.34 5491216.731 12012955.69 10462791.64 1467678.706 3278927.361 5047173.978 1141574.448 1003193.023 5276522.548 24664504.7 13728610.76 15021031.21 9021712.786 9918794.747 2231551.248 1387646.237 1525609.909 1052345.296 1610888.62 368887.4835 981027.7098 1940017.811 2391917.558 1356829.15 2062917.44 331918.1788 11836692.3 7265743.333 4271822.326 2555102.162 1872390.22 2582930.543 583271.8442 4651192.055 1688621.745 1559835.409 3597999.31 1189120.581 824998.9994 680544.6978 4641663.812 1498301.319 1904966.786 1061070.287 1-Stearoylglycerophosphoserine 15055441.53 710493.6216 20263580.67 2172855.386 27236861.09 21471871.51 14190455.33 41134272.65 28570827.56 719122.5671 15502760.86 33423961.49 14698896.16 60089182.18 26438982.92 8398659.747 21390022.48 18356181.34 58106928.39 2210899.962 5524338.118 8382128.752 1395393.105 4496796.246 17766751.47 7553542.344 24910727.36 5197511.355 58804480.28 13728520.24 399302.8235 525362.535 165935.8158 213351.7149 414111.1507 253836.0998 163100.8697 296355.1793 148480.7718 192290.9845 223093.2957 458762.0482 508266.211 569659.3689 702468.7316 299153.7304 379624.384 207406.9183 263938.9978 515383.6511 419108.7136 392985.8352 270520.4395 204754.0063 618689.1685 663624.421 411859.1546 637227.2378 635877.0169 346328.2119 2-(2',3',4'-Trihydroxybutyl)quinoxaline 6737823.278 6316323.247 2568706.919 6123187.006 707748.1264 1202663.807 2251986.545 5198735.37 1133894.965 203241.5386 3440957.197 3275000.258 1034131.677 523877.4634 776638.0161 13282292.35 11329534.92 2018819.957 2016418.982 3056500.856 429908.0646 1212307.077 428061.6299 1220463.891 1489640.637 939492.3337 732245.4717 1055788.951 1394411.486 685319.9601 21647504.24 21351527.65 8228810.998 3429559.669 28123196.23 3279866.176 1750973.314 5602468.315 7209717.461 4330838.458 9474239.281 4136028.26 40159945.87 25794872.85 33866993.9 29374216.37 21871272.33 22611635.31 47889548.09 39579889.48 59326270.92 56094394.36 37721811.82 64818762.6 43051685.75 43400390.6 37495706.06 21036478.24 30509333.82 29897668.46 2-(2,6-Dimethylmorpholin-4-yl)ethanol 2032173.75 15859888.05 15361196.6 7243687.752 1166152.531 13723648.84 2112855.871 3631958.516 13143504.35 1032456.403 1066135.013 38968091.63 10593120.33 10427967.7 18819869.37 2709925.521 4489066.802 1793074.108 14747795.9 1537133.478 2571124.167 5687166.986 1971969.063 2574937.368 4421777.688 8783344.962 6381093.941 5736201.444 9160962.901 6671797.124 421172688.5 374043314.9 222730164.7 243740600.2 339495959.6 304567916.8 327625643.7 212577908.2 244562844.7 312659651.6 313679314.6 258338626.4 261341729.3 266609866.2 329414322.2 281861873 426370288.4 381112843.5 320371268.7 434625858 414370689.9 343423732.3 319500071.3 425719818.9 591844650.5 684693692.7 520209477.5 739467192.4 586256753.9 604434363.8 2-(2-Methoxyethoxy)ethanamine 68261533.32 36552103.53 60024868.2 46439045.99 50215621.27 76935180.28 75830491.08 46558635.95 75078560.71 45014416.97 70719717.32 84730371.06 75987195.55 84282160.16 55399295.6 62931934.37 59995880.46 553174.0469 151999317.5 71804888.61 61855787.43 40020666.8 98859881.45 48641618.13 84127402.27 94554345 96588042.3 37968358.14 142471522.8 108990610.9 46472252.42 29883386.36 42573764.45 35824088.64 33661556.62 40055770.85 48752569.05 24371931.93 50063159.9 36380534.79 51859055.19 25903579.64 69603318.24 70336525 68791602.96 54000599.14 45526980.78 39821189.7 39186158.33 58788243.83 65875970.85 69218275.75 60037819.38 36926601.68 36784477.5 56457814.87 79393224.43 47938194.35 54392112.01 55404514.87 2-(2-Naphthyl)-1,3-benzoxazol-5-amine 4278498.842 1745472.518 3269811.55 2292907.165 2166832.672 4670999.698 2505027.489 4406019.983 2937714.741 838238.8625 3029710.982 3348978.652 3732596.973 2790243.696 2385049.378 2713501.862 2950095.627 3073148.479 4404706.478 3625599.929 1548680.639 5144991.394 3895502.552 1645335.441 1643400.053 4269214.806 2540033.31 3218479.194 4310841.568 2126000.378 1578712.495 2387197.625 2131478.874 1677895.433 1712273.188 1377720.948 1250566.548 3620628.622 1700451.799 1833249.479 2303701.892 5719008.714 1356684.09 1193888.085 614347.1062 2434022.331 1412069.921 1318287.439 377984.8598 1667742.739 698288.6822 724261.9761 762024.9763 307450.3554 1270921.067 1181655.532 1026362.474 2265926.855 1145801.057 1465550.001 2-(3-Bromophenyl)-1H-benzimidazole 3097914.085 4832303.511 3449254.195 4511218.429 3217894.54 3927625.061 3737563.368 4248321.489 3445162.343 4491003.789 3137496.13 3667444.368 4006093.36 3315958.464 3564033.822 3754092.22 3756651.191 3634603.891 3605931.214 4573118.788 4932344.251 4251295.889 4987120.804 3781687.529 3215325.374 3450082.466 3935328.701 3719170.279 4017520.703 3846780.513 254550.9482 491948.2322 395715.4271 469461.9017 341594.0347 371417.2965 345639.7707 452270.3641 563274.7484 507323.246 453227.6035 372394.3897 451905.4306 871941.0587 869761.3674 874236.7926 464071.7763 473695.2954 1280605.186 667803.4192 1096647.285 636798.0311 751195.6989 644066.1893 607651.358 1018150.132 883847.5907 444184.5519 1067263.851 671444.6882 2-(3-Pyridinyl)-1H-indole-3-carbaldehyde 1183806.465 372150.1827 997129.0621 1573020.307 474746.9024 491196.5584 651177.9281 703548.2916 1739294.206 626738.8203 1063821.718 647856.0659 628694.615 920398.9571 899976.4988 563031.944 908252.7168 826581.0307 667499.7266 1382857.917 4325679.224 5761162.014 3903202.682 2239317.409 2290908.714 3034492.073 3189428.49 3472223.422 1492910.646 3576500.114 929205.0448 889624.8416 1211547.657 778769.9162 943056.4825 897358.1491 1131253.937 515367.7707 1665531.964 862799.8068 1088155.259 672248.9344 1937813.141 1882968.651 1570855.57 1458631.299 1186584.885 1002077.536 1157622.803 1501730.087 2269256.388 2125894.112 1569716.271 1047717.659 1719501.875 1670069.64 2281846.073 1410411.572 1780101.882 1800343.908 2-(4-(Methylamino)phenyl)benzo[d]thiazol-6-ol 3032142.168 1653263.133 2402852.735 1602925.639 4009179.513 3351604.276 3877511.33 5517389.182 1466299.832 148927.9769 1770053.371 4554375.296 1014926.48 496466.1705 862584.2078 3857501.501 2686217.353 4125112.04 1905871.163 500326.4301 467664.9772 1034667.671 358921.4704 528825.5877 1125180.776 2324008.399 3695210.542 2475549.584 1470119.255 1575831.011 1195923.016 968923.112 937822.0201 994650.7532 895469.3979 1255060.835 627914.7738 2089240.16 705785.1582 765399.6393 949875.6685 602880.5299 723795.3886 706761.118 777166.6058 838645.968 910680.0248 704401.8393 569917.0834 688812.9654 815828.8258 534718.308 568362.0399 531213.8894 519414.4825 417221.7449 454812.7652 442306.2279 641270.9081 432353.969 2-(4-Amino-1-piperidinyl)acetamide 379137740.3 35623863.48 141139268.4 75192436.57 226644597.3 123115028.8 333836027.6 79213891.27 202890168.7 10168761.85 409413335.7 157202579.7 47240339.8 422249705.3 180430776 240997002.8 271253014.2 287208201.4 111167831.1 8929775.829 17693488.36 15240462.15 40581232.22 11136472.74 2885549.99 70807205.98 64658792.77 97683748.78 105067977 159001714.6 14032797.07 5147748.176 2467395.969 6166088.337 5423749.49 3164728.265 2254875.909 10478009.02 1618542.533 3189292.222 4035549.584 2531853.262 5979047.491 3359031.152 3470393.274 2184809.895 4166640.247 2590346.498 3077590.623 1567749.459 2089425.506 3309263.516 3483985.649 2314022.581 2702488.831 3237846.864 5688333.193 2441744.617 2099449.903 2646710.332 2-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)aniline 3048569.679 1184058.03 3867322.806 1980821.4 5675684.673 5424712.438 3189064.027 2092698.043 3823385.801 1552805.39 3048764.638 5024292.669 1775914.425 34848942.29 2973375.884 3363624.665 3704342.352 3625084.466 2441710.924 1310437.097 106453254.5 242026884 1004785.434 1262999.579 727084.3748 293000237.6 771654.2548 1174647.042 1293944.916 1246314.143 456316.0424 374798.2794 327285.7823 308320.4564 342261.1313 371373.8893 327790.3048 425474.4781 375186.3533 313824.1174 226723.1117 228608.9314 296400.7174 232212.6045 629727.1775 474988.6044 515458.1544 361040.6828 360419.7699 529589.7864 547225.8203 576491.6952 473716.7495 299219.5741 139088.7278 434043.6224 180211.3896 312728.671 104958.9 409425.4666 2-(4-Oxo-4H-quinazolin-3-yl)-propanoic acid 1829298.721 1092001.923 1623230.09 1997211.171 2478330.84 1718462.831 2097021.252 1256280.786 2645153.504 1078091.232 1971659.897 1866181.443 2387545.709 2815775.503 1983868.033 2234447.266 2628044.902 2838935.485 1678079.107 1752061.247 1485647.078 3172766.107 1671477.425 1846593.413 2297770.802 1911955.665 1760826.614 2600691.806 1402789.478 1982384.89 2506296.433 1560672.305 585583.2027 422628.2953 716650.3692 394155.2937 150041.9684 657873.9894 733586.683 3158397.105 2350750.63 405424.6665 1055867.354 504868.876 903430.5658 1555148.28 584186.4438 2322111.196 1149909.3 1195634.49 2277977.616 3588307.755 2296823.542 1386311.427 3978202.086 3863884.489 2457585.499 3246829.586 2208084.218 2575882.735 2-(5-Chloro-1,3-benzothiazol-2-yl)ethanamine 8695185.358 3339807.592 7850338.976 3435136.002 8859729.466 11329375.02 8129475.077 9463871.377 6155094.934 1505125.806 8046582.359 6805327.964 6509924.291 5787066.181 6593385.197 8515532.481 6452518.178 6217872.748 6114270.31 2859215.889 2410573.512 5227512.822 2494512.221 2475214.936 4765850.733 5196684.728 5291811.271 4904444.349 7274481.354 5733308.961 967282.9928 1169030.984 1204615.482 1163239.067 1143968.692 1342953.605 955255.621 1392665.117 1406038.568 1472146.521 799636.4611 941312.8798 877461.353 655438.4444 716015.4948 853256.9541 897701.0165 887239.2183 1038691.191 901684.8465 709462.9691 728447.7911 963290.4848 785227.0572 737428.7922 1047718.203 724778.2304 1159608.973 683014.8364 476918.7829 2-(5-Oxovaleryl)phosphatidylcholine 4850270.227 1624923.282 2178443.36 856847.3937 2555259.086 5156179.645 2703455.289 2996279.314 2478370.408 186030.0894 4664490.832 4254500.066 749754.5704 3673559.508 3725024.909 2230183.465 2310786.804 3596765.998 7024982.9 910783.1756 2701971.922 1599063.868 650917.3228 5612647.991 6491776.393 670914.8369 1990093.297 1134655.78 4132465.963 1021175.21 1878642.682 1142134.191 0 30818.2645 771841.426 519144.7873 118459.8666 209681.0462 285996.4974 238418.0071 321693.5837 615261.1725 24148.79197 1598022.177 801087.4711 55390.89154 370260.4564 0 203827.4676 193222.9047 155351.0362 185820.8292 1269223.066 945077.1978 420501.5007 972101.4414 1030289.156 681768.0114 911467.7082 101599.3503 2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2254863.043 732007.131 2978605.333 272354.1206 2116929.874 1114693.306 2460781.523 1323272.327 1336628.327 193311.2321 1494190.749 2906701.095 1212439.398 1598994.768 2054326.312 1607934.666 1795505.48 1598265.724 1658948.448 458591.3324 432426.2605 350406.8034 153400.7619 593988.2581 1259405.943 1842518.906 111319.7547 1049644.504 570902.3152 633248.3429 7830265.853 3790987.177 2392780.777 1113895.063 1670531.383 1292378.514 726668.6368 1278046.137 700788.179 947012.1342 1092416.456 729959.807 1256600.735 1458151.528 1266180.57 1070693.555 2291949.687 1227961.1 854516.3605 1252625.232 1109419.722 1065749.444 773197.3161 1057659.303 719687.9806 381602.5804 641476.535 653154.8074 787171.573 531913.1874 2-(Diethylamino)acetic acid 121943626.7 21128486.12 13041423.77 13681260.86 13956539.39 9013909.113 101554229.3 14396515.43 13603434.4 11190750.01 98463028.79 96848144.09 9187927.649 11873450.46 49621365.39 100066104.9 94679637.25 27107659.68 14961957.11 14534038.61 24701299.47 56689709.06 69063292.57 9609464.934 6203113.279 5745448.012 64845039.6 73079798.51 92299130.8 57833318.39 5222372.184 7157464.697 25575188.79 5849270.161 5174567.437 23048.26461 28401383.11 41477678.07 27408708.82 23281248.37 22753050.83 30025413.32 5476747.016 10130074.24 14138319.33 25227834.54 43375074.35 27677775.58 16747766.78 4074260.61 14703227.77 16718045.01 23557651.97 2539355.662 21560851.53 20749263.53 27094057.5 21042594.3 14857244.29 16772873.07 2-(Naphthalen-1-yl)-1H-1,3-benzodiazole 26406550.78 2515755.146 26099763.16 3865143.687 14859306.39 27169728.35 15785738.27 31841592.72 21267994.55 1017205.921 20373211.59 25486518.77 21285743.53 17539098.08 20472106.2 13043353.43 16701494.62 15032885 36159304.83 7196427.702 4139648.413 17635892.32 6486090.612 5411533.7 11250824.34 31279800.13 28152523.62 27550300.54 31234115.72 20252805.09 990513.5174 2779233.757 2677929.933 2357154.798 1115873.836 2249758.842 1410893.232 5204304.22 1540915.26 2446790.808 3621488.088 10484102.29 634269.4063 403219.5225 211785.1585 2616406.928 1755070.337 1398882.01 374258.0568 1201120.177 520298.019 965838.9232 979669.2456 322211.984 1367991.884 949488.0401 756199.4942 1420671.953 813830.5312 1088516.487 2-(S-Glutathionyl)acetyl_chloride 1918276.13 1847733.882 4477669.058 1621601.391 3197767.016 3270041.855 3787293.561 4843666.66 3991875.825 2211878.227 3828601.522 1945040.372 3744803.773 3990573.801 5923611.349 3559366.798 3566912.169 3766496.71 2976625.169 5752621.907 8798290.231 7301748.727 8293219.307 9377605.124 7250518.274 4430790.533 4205869.975 4212647.737 4813446.329 6343192.159 4117856.382 4320771.66 4296104.181 4172161.171 4394276.738 3921717.287 4402320.353 4059260.1 4367632.794 3610851.739 4332199.581 3531984.105 6139330.456 5164207.656 5700125.37 4579502.711 4369450.436 3790194.204 4743791.648 4934151.216 5252705.907 6258912.577 4977636.867 4004516.671 3604385.609 4924612.665 5182293.684 4311749.376 4674036.15 4298595.184 2,2'-(2-Hydroxyethylazanediyl)diacetic acid 2093491.004 1628963.123 1668874.662 1882898.244 1250869.148 1307575.169 1900797.636 2049820.97 1782258.793 1421578.254 1878468.329 2149967.517 2491415.848 2563477.076 1433048.619 1799667.634 1550311.409 1835707.673 3019078.173 2210885.4 1224929.714 2400437.442 2896580.279 1884866.423 2291021.981 1353816.137 1960240.047 1234159.103 1910804.371 1320941.589 5664534.236 4714413.639 6095728.877 943429.0616 13952239.84 1507507.352 1774858.236 807005.2162 5163123.917 12367761.73 6164911.32 1516399.326 14500247.6 14574624.14 1151734.972 6174817.782 2183160.335 3143943.731 9825929.103 4853065.78 10190250 9080049.267 7917545.916 9697712.981 10940895.16 10506015.71 8391796.419 12594960.94 6638166.548 12296700.26 2',4'-Dihydroxyacetophenone 1722710.796 1732959.604 1488227.357 2001552.091 2429581.007 1618567.431 2101734.078 1432478.284 1444871.556 1397013.927 1984293.992 1989383.452 700099.7908 1951722.258 1204440.429 1286620.46 2517434.588 2243829.06 1009692.703 1440435.19 1081141.12 1828249.738 1529527.123 1475782.464 539297.2377 1031838.482 962757.0897 1267387.877 900693.2406 1265169.755 2388088.869 1039292.232 801016.5448 867224.0915 843948.4466 729211.712 314720.3101 1347411.17 356253.1053 857998.455 1128568.546 606235.4866 2326273.601 1915720.389 1125303.286 1372508.47 1173880.951 867445.4954 1216001.725 1223293.066 2105980.652 3152717.993 2181453.26 1070062.219 1821987.639 1867585.59 2023517.646 1716767.92 1946882.993 813014.574 2,5-Dimethyl-3,4-diphenyl-2,4-cyclopentadien-1-one 6603723.797 6074817.365 12183561.44 7914676.795 5576158.678 20803644.69 26831973.79 13767400.42 17330821.42 2928576.891 12828886.34 29525652.5 8891860.351 6115378.054 15595678.69 4264232.762 13944126.23 15093344.79 17425334.68 2557727.753 9829215.844 10516200.62 5436116.806 2847137.229 3971617.495 12427820.98 10369379.49 11651752.09 36584681.78 18611790.02 766491.3473 5500817.31 1656799.321 1441246.815 1869612.441 3105614.632 1043874.334 1380900.284 957321.053 3119684.788 1355530.738 3055669.946 877071.8859 1631266.1 1368175.082 2130761.487 1170158.935 1639961.914 6059503.567 6024302.003 8962174.45 1421209.299 6640362.972 1198187.576 2768967.905 2600258.408 1035035.2 3188715.847 1225077.85 5864207.643 2',6'-Dihydroxyacetophenone 1722710.796 1732959.604 1488227.357 2001552.091 2429581.007 1618567.431 2101734.078 1432478.284 1444871.556 1397013.927 1984293.992 1989383.452 700099.7908 1951722.258 1204440.429 1286620.46 2517434.588 2243829.06 1009692.703 1440435.19 1081141.12 1828249.738 1529527.123 1475782.464 539297.2377 1031838.482 962757.0897 1267387.877 900693.2406 1265169.755 2388088.869 1039292.232 801016.5448 867224.0915 843948.4466 729211.712 314720.3101 1347411.17 356253.1053 857998.455 1128568.546 606235.4866 2326273.601 1915720.389 1125303.286 1372508.47 1173880.951 867445.4954 1216001.725 1223293.066 2105980.652 3152717.993 2181453.26 1070062.219 1821987.639 1867585.59 2023517.646 1716767.92 1946882.993 813014.574 2-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methyl-4(3H)-pyrimidinone 31911181.24 8307126.466 16814286.58 23669023.72 15908933.14 14121568.67 18382727.92 29905535.2 21214056.78 8241316.584 13867509.27 44887574.92 16660489.36 6692095.177 4248656.381 29621619.71 30269828.69 38306281.36 4047884.763 9189605.237 1513039.898 5405700.244 4875371.365 3660507.433 6875740.042 4229343.584 2201135.232 12040282.07 12010300.87 7708651.273 1837282.756 806602.0724 227321.8603 145090.637 1751206.18 175525.2723 684045.3483 255200.9419 223675.9728 316516.2624 3036898.82 347346.7718 5909407.889 6934078.885 5502680.537 1304653.811 1217404.148 1340350.889 1723003.274 3188383.794 364000.3325 914647.3877 1141974.317 1886555.629 2783198.314 2248216.316 605934.1639 2783873.459 2221668.33 967940.2065 26,27-Dinorcholest-5-en-24-yne-3,20-diol, (3.beta.)- 4771944.934 1438343.054 3760204.077 615107.8617 17988674.21 5375084.607 4287442.417 5630591.157 2405867.657 110417.7407 3750323.827 4348449.592 1095623.064 693415.0218 601530.0772 4607951.847 1815796.852 4837047.332 4695967.821 842899.9979 1407566.758 4466008.609 1245186.906 1209314.575 1521692.81 7194579.132 8210331.166 3804723.778 2350188.02 3718057.589 16565243.26 12028239.28 16555267.54 16647324.76 7871730.418 16098761.81 11657033.95 10892655.32 8205624.529 8153239.096 5246551.266 22693538.46 7177962.946 4573279.855 5150890.004 10430207.34 13528851.16 12492150.81 4511431.453 7580265.511 8528481.978 5452745.384 10826691.09 6923893.576 6724984.405 4075026.881 4826655.787 2536906.62 3401574.065 7455317.506 2-Acetylthiazole 43616196.73 19435665.21 41250901.09 19536336.86 32610162.08 37553515.48 35851949.28 40727894.61 40312200.14 13600873.28 37225873.01 39431132.15 35240410.45 35864302.45 36410274.86 33579891.99 38337200.97 41815356.16 41439400.69 21992912.45 22191179.4 25778551 22543366.96 20931994.11 26605011.89 41053386.67 39512118.8 35603860.62 42958825.87 31551871.85 24240203.27 25492473.75 25355183.86 29906083.03 20352233.34 31410328.01 16695322.68 51920227.21 15218707.45 17520613.71 19661614.17 23942903.77 20988443.5 18483433.57 18439913.52 19347400.13 25465324.69 24335565.68 9664666.71 22140712.98 12255426.56 11264281.12 15473278.52 10671446.98 11103735.12 9836203.587 15176345.94 17870898.94 13437536.09 11647275.84 2-Amino-6-(methylsulfanyl)-3,5-pyridinedicarbonitrile 77476056.1 23449083.07 73301330.98 23982985.08 80140788.65 92254196.71 60281880.95 95008583.19 85707393.48 13072210.25 66922954.67 75993679.16 51395833.65 71047524.08 58703852.93 51532668.86 67533894.31 73318021.81 81770263.05 20606537.81 16053732.54 34461150.04 18222147.22 14189466.56 26263507.42 42116939.97 46473638.72 30929400.32 56925869.4 34602498.3 114424.6867 60197.83425 35247.65762 15771.75975 208375.2199 35058.689 0 42142.42028 50713.31835 141002.8481 111067.8015 18674.1295 513502.455 188932.0209 209444.2168 266919.448 135866.7917 53015.60069 2064003.62 341914.6401 1827119.713 1579582.873 799566.2181 1147075.819 1239767.92 1237591.533 1295130.239 198084.3572 717951.2913 1621839.399 2-Amino-6-ethyl-4(3H)-pyrimidinone 1621273.028 490909.7044 2458039.572 700951.6954 1704961.108 985692.3641 672105.4989 1205623.869 1574622.514 547606.096 790500.1141 2953143.843 1980358.877 2383892.1 2154180.476 677640.0794 299610.0228 651214.1518 1402922.851 1005413.252 554032.9735 801792.5639 582027.6263 457699.0191 966966.6266 2535822.404 2065923.961 1590185.603 2391356.919 1561180.795 2641561.69 2219346.716 1061693.748 1197751.24 2090553.601 1360678.533 1110559.43 1693397.406 1114458.695 1706319.214 1686399.641 1085616.675 2728901.046 2435059.829 2718123.065 1645075.397 1406147.018 1618013.677 1314169.628 1871669.447 1417039.977 1653464.793 1240962.613 1501061.069 2005634.902 2129117.715 1850295.777 2461938.302 1880733.6 1827075.775 2-Amino-7-phenyl-7,8-dihydro-5(6H)-quinazolinone 37096.38863 144829.054 252008.3078 120788.2982 37277.83189 91052.70191 90968.33695 292279.1572 243145.4043 204907.8337 101906.7111 82758.15271 201225.2835 413035.7202 430797.2943 132235.6987 21952.33437 68523.91362 346258.9211 456336.6057 1318579.928 2346514.897 946762.608 953757.8641 1316783.167 2388642.311 1974652.356 2648779.07 1153147.933 1919994.571 464404.972 391368.2177 546740.3891 405230.5237 451170.7014 424327.1217 472937.6101 266717.4643 584996.0978 444954.033 643362.753 298104.8668 883835.7432 923610.7218 852923.9531 643834.2717 550540.3143 488657.2114 463903.5173 998080.2492 817018.2485 933723.3154 828515.1335 427290.931 473984.207 607038.1388 903139.8491 715025.4355 685231.5979 725110.9287 2-Aminoadipic acid 3457148.43 1344759.514 4947298.046 1406817.961 4615908.199 2714354.759 2664233.143 3623080.779 7887671.255 1080823.032 3069008.155 3450616.436 3274330.521 5278979.299 4584847.008 2184292.043 3021160.034 5409527.6 9343141.592 2019763.674 2224645.3 2716314.508 1832045.222 1942897.466 2747243.999 7417924.476 8052510.806 4098815.98 8083657.313 3503970.063 2243456.8 2114233.698 1631064.311 1716806.665 1844091.726 2118719.194 1310804.174 3086403.318 2073759.409 1780164.256 1833108.831 1512703.695 2161738.454 2347574.617 1948821.658 2429315.043 1897203.404 1815152.937 2822704.556 2795616.782 3418865.189 1721603.781 3530494.15 1993053.928 1745119.858 4230290.478 2278296.929 2210813.085 2097526.923 3241443.643 2-Aminonicotinic acid 361505.1337 951148.2397 688608.0009 217998.3726 311476.6029 2318116.723 460379.4229 605517.2804 271757.3872 359315.4475 605152.5425 726784.2558 384732.705 370911.1639 978220.0731 746500.7523 1133674.903 785157.818 1737020.967 770730.9026 1624626.691 1148408.766 221825.4577 867784.4779 1092537.47 1294350.35 1669662.792 1819266.076 665504.3008 1140954.927 3407409.65 1876406.908 1714287.442 559946.8227 3517187.42 325693.6113 199766.5371 191152.7606 96659.06059 1181684.094 3677741.087 108020.8644 679458.8739 995160.9908 549297.597 428250.4529 515192.6924 98819.48215 464890.556 648731.8624 488950.9656 511310.693 535538.8703 763032.6064 768140.1728 1732261.184 602795.5528 838638.7909 717408.1289 1060989.953 2-Aminopurine 13209941.53 11929127.78 25665175.94 13816423.31 230510827.4 35938796.66 30951772.75 30437786.96 27923489.5 10561246.22 9279279.921 13829920.76 67533520.6 44197679.74 205822541.6 15573375.42 27509061.84 18517439.25 102707828.9 9566098.433 24617592.45 13309750.85 8064191.873 20583188.78 16213635.26 11657850.99 9119796.448 6766625.915 18691677.08 10792935.47 13129.73221 453982.6412 518199.6776 498455.3044 511488.1027 413638.4728 460625.1258 469934.8865 977744.0043 465772.7861 442864.9536 11926.64491 546176.0824 399923.391 514053.421 998933.1649 374974.7653 526306.7057 574569.4022 523390.3097 534329.1862 411638.6611 446412.8229 469019.9637 489158.6582 453235.9815 467515.0638 469782.2372 504144.9335 503235.6542 2-Aminopyridine 37933565.74 4007136.078 29549485.09 6067702.547 10428774.67 8047869.968 19847089.99 23105916.25 37253276 6122802.218 71007256.45 17479242.79 9218959.366 25742381.88 6706933.14 9598758.691 27101358.32 7668340.41 9541349.937 3866519.094 1160672.429 5250589.219 3370748.432 9328464.277 2412259.431 5522600.258 1752500.998 3081175.464 2802802.058 3330559.272 2258601.023 4319796.927 1517370.597 1867644.584 2468219.185 2010568.919 1544684.665 2186212.006 2141938.905 2527339.433 1680405.931 2512260.557 3124377.643 2579728.737 1516831.09 1711012.962 2268668.194 2459389.36 1836732.924 1901176.605 1469411.08 2554474.794 1644477.714 2519911.468 3550032.846 3266998.051 1305320.489 2281757.866 2603818.263 1310797.951 2-Bromoacetophenone 2051108.786 1328948.459 4081677.184 1748247.037 2564825.452 1851517.746 3281776.02 4953988.599 4044427.075 650612.9756 2722705.2 2420877.607 2360121.162 5175742.14 3371865.129 2208167.968 3353786.488 4734458.455 2826786.988 1961145.736 1567818.81 5737501.044 4265226.08 4627016.262 4783673.716 8130631.52 5513369.92 6642220.435 4618346.784 5744948.347 752244.636 1785691.49 2063039.711 2168419.907 1013428.051 1393838.601 1432664.386 1153457.046 1000883.01 1275108.102 1457027.668 708701.1923 1928919.365 1688552.286 1523970.308 1409658.746 1841732.614 2419910.531 622401.2783 1210857.802 1106304.026 1924025.415 1433783.638 606649.2344 912052.3164 861599.824 1967900.199 1671818.545 1047647.298 1125229.862 2-Chloro-4-(dimethylamino)-5-fluoropyrimidine 462027961.6 31677815.42 420867948.4 40716604.78 348667126 361645723.2 329408967.4 421050560.2 303975637.3 20355301.59 346817743.7 369857245.2 123070332.7 215145807.7 167390535.3 229154798.6 292768355.8 299758919.1 410333405.3 45722021.85 28637879.1 70648725.96 44323379.15 43485816.24 205728667.8 343823533.5 427650775.3 349736269.9 437525846.9 370136650.5 70151909.9 79078555.44 60139282.85 75038040.92 59712272.04 82790524.4 69948038.16 96292342.04 63859666.84 56173750.86 58694180.76 73292074.37 44757673.28 40309410.42 34161165.88 65192476.28 94928101.77 66187009.64 37962302.67 39260242.97 34985048.6 44974883.89 55168990.43 37387112.36 54835211.46 51735578.23 68554872.9 51226475.92 52147117.44 43653359.97 2-Chloro-6-fluoroquinoline-3-carbonitrile 5892944.528 2193214.053 4070740.066 3137751.29 5081840.614 6165012.953 3742076.19 6074155.981 6455155.144 1788268.912 4080365.077 5349019.597 4452702.597 5863723.768 5004410.804 2637879.998 4748988.462 5517424.602 6578947.423 2805836.699 1374900.635 2319156.134 1895369.152 1152037.075 1467009.524 3029609.338 2773986.976 1744667.92 3636231.461 1503646.273 814437.6344 1601800.854 500735.3976 463817.1642 1446445.017 686697.4691 768593.6437 1936184.727 513700.3008 638227.9714 1250384.555 1615244.968 541639.7905 344902.8133 446111.4473 464045.3521 1287035.321 1393577.267 400180.8928 791496.5292 1054087.141 1000178.04 1035420.423 409992.2397 522472.1125 377215.1966 293111.228 569062.912 480049.1651 249612.6169 2-Cyano-L-phenylalanine 42957213.04 5766090.996 21659018.96 6153251.163 3633193.341 3232933.547 12743338.89 36967165.22 5236904.342 456841.6359 20240113.27 22052656.3 6026423.949 628370.4318 535948.9549 55044371.9 17208428.91 13045558.76 14347651.32 2600861.501 1233572.929 4398948.376 779542.4925 3525723.192 11085393.57 11209729.77 7496832.745 16736824.36 15076549.02 5187443.583 5067825.226 5091585.081 3820001.945 2201594.899 2603463.687 1659397.035 3363692.951 6389128.973 2212369.62 4305969.54 5323532.88 1908376.149 5292560.806 3660743.636 3780975.497 4346350.199 3936634.138 4729778.998 5595185.591 4954340.313 7412730.478 7352461.731 5096684.584 5872570.173 7552437.713 8304009.764 14526940.98 6449926.517 4613981.8 4405343.324 2-Docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 5301153.499 358852.2134 15721176.19 1061212.487 4926044.053 4337918.308 5694094.451 4778218.819 5166027.057 547819.0138 40059064.22 4373576.566 3393620.238 4119018.526 4415883.808 7908604.116 6671776.679 4665926.355 4307235.286 763321.8713 1609826.899 2625960.044 2511491.494 32421430.51 1768921.384 2521024.045 2542684.23 2188585.755 4907331.363 1551193.319 2863407.123 5396687.991 7792950.487 3591221.691 2022755.817 4533951.71 15264618.4 2193317.573 3800248.839 4306814.487 3215126.601 21624843.14 1483813.998 2171223.606 1937749.737 2427403.073 2057819.855 11130867.75 1767871.375 1328726.807 724275.4571 1739585.371 1199381.642 1722175.432 2123965.332 1038707.212 1556121.409 1081103.339 930339.4662 828950.8493 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine 32939166.13 8884636.229 46283415.26 5361561.619 18164203.68 15826138.55 51060227.44 25756937.3 43124011.52 6536216.842 59862559.29 34382062.87 10422149.74 17894202.67 9754139.796 44495926.93 49093547.6 52473286.49 21326135.35 13841817.76 26082211.17 22072242.95 8736482.323 30709932.96 9549457.817 4853231.677 24041296.4 6235404.706 22804821.54 8749158.818 6972958.901 8641476.744 5044902.079 4717581.09 8293306.214 4119642.845 4279613.017 2900452.223 3603049.531 5606313.221 7980507.964 2258143.628 11031158.25 10932381.16 11788140.85 6348904.05 6662099.057 6358833.858 7667752.817 10522733.88 5599213.424 5776729.076 5342986.983 7331831.349 7296580.999 8012065.586 6473067.446 7960887.62 8498436.772 4755583.465 2-Dodecylbenzenesulfonic_acid 1919253.938 1107925.483 3110956.728 632657.3177 2762389.474 3194597.186 1560568.656 3425390.968 2544155.527 1204329.593 2437364.068 2912135.866 895473.7552 954569.9749 5057215.931 3288086.772 5027363.725 1377829.036 4075882.291 1428744.306 3141482.646 2947026.679 1035851.149 1547002.459 4203127.541 4587993.852 9080662.562 2212175.593 9331671.458 7596043.966 351116.9347 326327.7321 137987.1177 369025.4486 288024.5101 120995.1933 189782.5838 1044457.344 145222.117 136941.1425 333134.1042 120852.7244 491019.8312 446207.2789 556162.8372 177224.9094 245893.7541 170550.3876 442145.2841 408545.2185 309774.4327 537795.8951 318095.5591 475893.7755 302215.5502 229534.444 196475.6097 394001.0023 359568.827 488311.7602 2-Ethylbutan-1-amine 35202832.55 27477275.09 35663059.65 28948151.45 62445111.82 31984709.4 35135008.96 56334734.87 54401422 26394159.23 35237970.08 61159678.71 29797608.3 34704692.3 36868335.24 30298600.54 47463282.41 35826869.15 34312770.26 30517617.19 44609.18035 29529885.76 21257323.4 25023084.63 32124550.63 43101246.21 44694261.75 43933498.29 37133869.26 44981425.93 38244258.28 26416486.98 15466843.64 486652.4851 27058442.34 13145809.22 25172380.38 283947.6247 29668022.81 27091249.42 14507187.99 23197856.87 41706984.74 12490521.35 47649110.79 27911383.6 363957.6678 28459258.61 428428.3742 46612162.71 17945799.33 26424411.88 23193846.66 39033207 26394865.1 24836933.43 52954427.67 24466956.03 44980853.31 17560350.72 2-Ethylpyrazine 754203.5369 352271.1342 739713.4845 348400.9645 1220261.785 1529926.986 1262451.568 1119921.747 953521.8046 231537.7302 1103809.388 462452.9404 559547.5219 294513.1309 950227.542 261927.7539 792639.6971 295449.9248 1131729.436 282435.5988 792609.9169 416855.4087 238435.6887 454334.5548 86593.93773 317532.9083 224046.814 993664.527 286901.7649 1155051.773 1098998.841 1169243.141 624040.0426 623621.0327 745365.2507 741540.6758 512464.6492 1204260.699 627536.5803 645792.8557 692205.786 822255.1749 723067.9319 420735.3729 454581.2912 639677.4777 711357.7622 722985.1266 1036723.584 1047828.231 1099585.845 1151020.933 923660.4212 1139396.537 781886.9584 778290.3659 733166.0914 527205.3714 784158.9461 489121.3925 2-Hydroxymyristoylcarnitine 73217638.56 6367959.694 48606538.47 8762995.791 56463677.47 34847659.6 47197121.74 50657652.57 43348061.5 1707062.012 105546876.4 45119148.07 24367238.74 31785090.39 5535321.027 50917584.01 31256282.22 76210469.38 62346419.67 11922284.9 12109401.8 16914215.19 21788133.45 7218081.217 20438730.54 21668205.28 41967664.22 34742282.11 33496809.83 13758380.17 17507691.52 15593881.79 16121741.87 13903322.18 9854135.278 14917707.71 8988634.561 19485697.74 6684500.996 4215774.974 5334596.414 25561797.65 8225555.698 9995865.191 8761138.662 11700712.16 11096392.92 10031153.08 2792898.049 4952896.728 5475753.866 2714267.38 6593106.681 4512436.209 3626955.71 2800215.479 3068608.781 2413076.672 2688035.24 4315797.108 2-Methoxybenzoic-acid 1722710.796 1732959.604 1488227.357 2001552.091 2429581.007 1618567.431 2101734.078 1432478.284 1444871.556 1397013.927 1984293.992 1989383.452 700099.7908 1951722.258 1204440.429 1286620.46 2517434.588 2243829.06 1009692.703 1440435.19 1081141.12 1828249.738 1529527.123 1475782.464 539297.2377 1031838.482 962757.0897 1267387.877 900693.2406 1265169.755 2388088.869 1039292.232 801016.5448 867224.0915 843948.4466 729211.712 314720.3101 1347411.17 356253.1053 857998.455 1128568.546 606235.4866 2326273.601 1915720.389 1125303.286 1372508.47 1173880.951 867445.4954 1216001.725 1223293.066 2105980.652 3152717.993 2181453.26 1070062.219 1821987.639 1867585.59 2023517.646 1716767.92 1946882.993 813014.574 2-Methylbenzamide oxime 6550328.854 5743173.987 6289848.211 7289016.075 7435667.373 3354462.903 7140610.847 5502886.551 6894487.197 4450722.343 6773262.905 7273430.948 5693602.171 7901854.48 5264892.258 3629751.557 8344464.362 7615431.406 5172323.727 2571765.515 1735236.689 2706466.159 2215686.616 4580862.777 4349983.205 4423162.021 4722273.891 4430879.908 4388993.599 2227893.99 884869.2763 1032048.917 866675.867 1139796.671 2191458.384 990916.7428 917465.9011 853001.8207 1919274.577 1824515.959 1192993.841 1352749.03 1185472.44 1220524.296 2845711.577 2020041.763 2106179.878 1718191.68 2446503.16 1424576.554 1228051.708 1277692.337 1305412.917 2776025.624 1296383.607 2678347.289 2603808.158 2963612.972 1293863.8 1055839.621 2-Methylguanosine 22831816.73 9830559.438 20149841.61 12683460.83 10001989.76 14823961.52 27297133.39 13184112.3 20659433.48 4113751.08 25297695.63 16690012.35 9654399.992 13870163.23 11142395.82 17213279.6 34392810.35 100725020.5 10033146.52 4460108.54 6162339.766 5815371.817 4861935.568 5939105.874 8648983.965 22201573.92 12444872.87 17797925.99 9924791.561 30663792.44 6815908.065 4029344.539 2097279.917 2539903.693 5674418.931 4097916.751 2423839.088 8177842.786 3546030.803 4003110.962 4654505.446 2954012.815 7004506.042 7589361.136 4325238.769 3474912.267 4515867.903 2929553.707 7539396.4 5918697.373 7738529.09 8022142.854 8331133.42 6353167.88 5937025.601 6160251.579 5063500.769 5190294.985 5393451.496 5591999.783 2-Methylnicotinamide 663895.4214 910064.1707 1316593.281 1040797.785 12304240.58 3710412.331 3002960.323 2042152.83 2117228.492 1212971.153 1863436.244 1650845.566 299868.5102 1821889.14 910317.0249 1526927.775 1189033.572 1647918.064 1494935.866 1083650.402 2012154.036 1690189.697 415376.5588 4523322.82 1740275.472 727762.2845 1050023.27 523567.2942 741333.3419 892119.0468 5237671.696 9265362.893 4780230.418 6159476.93 3503313.56 10107289.38 8934068.488 8300970.053 8683552.236 4699387.233 3905598.116 8810259.015 4112760.569 1211387.981 3198859.314 4732438.521 5731561.581 3837067.355 3653980.915 5103485.179 5075140.057 4888209.269 5522335.791 2382890.566 6048193.07 4610662.614 4365680.169 6100500.574 3549377.204 6065980.28 2'-O-methylcytidine 1990397.264 3418467.621 2537410.068 2673061.927 1979549.333 2614816.346 4306524.845 3220866.961 5472514.08 1458734.532 6164369.795 3871158.881 4008133.97 3075069.454 2938888.166 2069851.36 8415399.578 9762072.086 5409095.694 1263282.636 1234698.176 1580253.572 950513.2492 1421349.092 1317556.545 4629638.228 2863442.01 2424743.355 2969931.544 1830527.278 2189789.092 2644736.047 2593662.153 1592858.914 2315453.715 1862885.564 1966823.185 1434694.396 2395805.111 2615253.758 2925900.792 2030655.08 2967468.014 3429130.142 3344416.556 2451664.946 2439978.012 2283749.203 2074604.759 2709087.275 2526259.302 2375128.244 2463833.62 1899155.024 2630663.055 2262076.57 2151862.587 3853246.093 2468726.543 1953176.156 2-oxindole-3-acetate 15085154.64 4291860.078 15494747.05 4262452.128 16222857.19 15667146.44 14022269.69 12364860.2 11511593.49 1898976.612 14130278.51 13172488.86 10574575.44 12957241.12 23957315.68 12539547.09 20152003.68 17355787.04 26497056.45 4494421.47 4992187.169 6164746.528 2366171.395 8577724.992 11149623.37 18062473 12032667.84 11800926.45 16157134.01 15483101.66 793410.2322 517509.8912 476235.6356 487059.1734 455605.3898 615080.9984 319502.7668 614427.496 561670.568 707367.3943 610557.5193 338765.9924 563476.3005 402597.5577 461864.0888 456940.1988 426758.243 646615.3544 603185.2201 291545.4245 480006.6785 445905.392 343536.1039 711728.9798 1032928.901 706331.1781 487116.126 526316.3567 541847.9679 561139.6657 2-Piperazinecarboxamide 503065471.7 58296391.08 393252362.6 71544465.94 374239880.6 208002972.8 353882775 269387924.4 461268015.8 53301323.81 631778925.9 523752971.3 126811412.5 448724616.5 256587151.1 304749069 614401170 594657999.6 186259726 68194461.95 45237764.18 62535585.34 56219917.28 68003230.82 91683336.37 148074404.5 175734921.9 154524270 154790990.2 166207915 66619676.1 8599316.161 46300788.44 40200702.68 55299645.11 37262646.33 44482931.79 59720145.84 5202400.293 5039285.938 40773443.92 5545774.355 45251454.19 5564652.776 6101302.014 5264641.786 6123833.649 47120631.84 5500319.621 76679161.93 54945292.03 60732779.02 60864410.42 48108569.57 55685868.1 50699875.42 47172159.61 61293808.78 49940295.66 45871816.44 2-Pyrimidinylacetic acid 621781.2875 947992.2521 598648.5936 2191333.484 5743069.849 2886778.653 1027138.725 2409011.338 833199.488 344286.1774 879429.6418 1138603.372 709214.2717 886831.4707 1708011.461 820968.8552 1571044.292 719089.8762 2249210.97 374664.6116 489748.0478 483507.0117 275465.0364 445094.4381 480264.5335 526033.6895 502760.1846 1059670.279 593956.6446 600183.1751 107739397.5 102729964.3 19071528.64 16705544.99 104754676.1 12326904.21 14133375.02 12601141.26 11549054.93 23924068.8 56025431.52 9445619.102 16811942.49 34142694.4 18304344.22 26807229.85 26811601.52 13331168.12 21594763.23 18117616.58 34238808.77 38329141.19 22384467.42 82151595.59 69870627.28 91838839.81 33146795.54 29653840.4 36910055.22 74896636.74 3-(2,6-Dimethyl-4-morpholinyl)-N-phenylpropanamide 4275833.856 2213592.889 2498853.226 2157141.972 4513043.418 4492327.107 2355992.858 2021588.567 2124792.721 1802905.096 2380890.215 4241936.175 4236295.072 4703004.923 2201155.461 4609312.911 2300707.66 1999755.179 4239077.848 3997560.439 2295593.049 4249410.498 1947122.398 4525495.385 2272758.65 4334943.996 4408810.19 2791704.932 4286622.381 2427731.957 2081737.73 1204566.575 1136557.819 1112189.612 1101741.321 1109554.752 1119816.094 1144260.33 1138847.956 1142591.513 1233393.224 1128177.269 1180524.874 1149999.542 1175774.024 1131897.825 1128264.255 1099297.36 1191877.255 1186881.217 1123351.665 1242169.287 1160695.601 1220346.834 1122271.184 1246187.96 1105937.194 1225399.497 1176613.528 2393254.697 3(2H)-Pyridazinone, 4-chloro-5-(4-morpholinyl)- 5253682.549 3683386.828 4481760.137 3778541.441 2846999.765 5754859.324 3490456.256 4002256.57 4325223.429 2343572.503 2638883.79 5182507.748 6948717.875 6100777.059 3626550.506 3235102.769 4119219.687 2846563.512 4883408.802 2298805.832 3039440.408 3973300.466 2596364.08 2052533.111 3062304.256 4871633.669 5249710.241 4857396.425 4227458.533 2928648.939 2295175.734 2695807.73 2214826.571 2212750.722 2297336.138 2007656.378 1056045.665 2593768.516 1197084.871 1972308.981 3047245.345 4048485.794 2856808.441 2551714.421 2374082.817 2335600.709 2231447.678 1226328.556 1584526.89 2775824.45 1638275.483 1558460.721 1581727.263 1450122.216 1840447.419 1739789.886 1294328.634 2100017.705 1842360.835 1263511.025 3-(Aminocarbonyl)benzoic acid 6396412.056 1603729.43 4471662.345 2759010.843 9621257.46 5536302.356 3795383.094 6065660.81 6095166.261 2727491.731 5758733.135 6501043.851 5613012.232 7684711.619 4659902.583 6203448.898 6732920.464 5082514.495 3904158.599 4224187.38 5986637.789 6606364.91 5397250.508 4704981.163 10042772.66 5249451.16 4997619.968 8138818.564 5405955.146 6306126.538 7875978.1 6278792.032 620861.0664 5939924.342 443048.7966 419055.0812 6946516.319 1219185.755 821527.9202 442306.8129 641886.7809 587989.9926 8709507.795 7227624.103 7746983.172 493563.8446 7440125.32 530111.11 8739087.404 7707968.44 10118610.52 9462050.064 332373.3059 6548084.305 431725.256 10270172.88 9457299.236 8176027.337 10437888.26 10783760.61 3,3-Dimethylcyclohexanone 540660.569 697483.4722 468333.2654 485393.4028 1332936.26 1284249.206 897694.5273 1005147.606 1194435.253 483234.5528 715232.6153 1158641.739 1315011.397 441100.2359 1201037.418 611379.9239 288116.6871 1346634.849 1262126.584 708017.4811 1937611.025 1017213.713 543858.4248 1157300.045 941384.4817 1667696.056 1369651.993 1382089.16 1552481.215 1866639.977 579487.2164 736829.7714 472249.1393 877452.191 1085268.374 1467019.368 715516.9862 438145.1458 1029023.713 797573.0994 1822359.722 621405.0839 1009702.912 1993849.6 1753986.191 2037415.162 1505726.638 1601666.862 859694.0655 1570690.989 1191443.01 767246.2232 888810.9763 219965.0882 1126419.203 822582.6916 806312.8033 351135.5893 1105485.154 1627587.663 3,3-Dimethylpyrrolidin-2-one 6285798.747 1387696.859 7361787.434 9613735.05 1446725.362 7158504.355 7243872.916 7785112.713 7637194.003 9598338.844 6356233.245 6101204.221 7435644.583 9195553.728 7350863.344 8040844.877 7822553.022 7253279.977 5612680.791 8443797.96 9657067.835 10081915.35 10098654.97 7318454.551 8367405.987 11390633.06 1264199.193 12313465.08 1737510.164 1795295.03 1232681.694 2246736.54 2087272.612 1052442.51 676305.8402 4985266.523 1037565.683 3075449.873 2075033.214 2045915.382 745869.9298 2007441.304 2431499.376 2313920.133 1372329.213 842197.0608 2367833.216 1004944.054 2064100.066 2014700.442 2090416.748 2383493.336 2160645.514 1701926.435 2558684.728 1515569.908 1210959.726 2475289.863 2325157.703 2591401.679 3',4',6-Trihydroxy-3,5,7-trimethoxyflavone 4094322.254 4325835.488 12423574.9 3533919.329 6654561.995 5756380.285 7820222.161 14647194.64 15164201.27 5770610.556 7943498.81 5582673.232 10809580.57 15567904.18 18359783.07 7074919.39 7232252.583 9590955.019 11356171.45 16299435.83 31656983.53 30120415.93 26113560.6 25195118.8 23340563.6 17383693.37 17858226.32 18828871.22 17498130.43 18246582.84 6042303.561 6792138.038 7749614.854 7091476.613 6988415.739 6651335.726 7777366.666 6160221.935 7464449.467 6238380.159 8659731.842 5658654.403 9733539.186 9779423.394 9279055.128 8585434.008 7446655.438 6351257.863 7555434.583 8384395.026 9013379.366 10644889.6 9435182.47 6020517.6 6144262.044 7813409.396 8982027.746 6719292.089 7721208.007 7292643.878 3,4-Thiophenedicarbonitrile 1951134.711 128333.3145 1868458.857 318474.4509 1362111.248 1125673.861 1296746.51 1820591.251 1711977.357 0 1948869.025 2312830.997 639515.5718 953591.157 1062786.115 972464.4481 1140355.836 1574874.983 1235102.548 0 17495.88626 465300.4553 5838.135931 1053061.724 1359110.409 1211035.8 2198627.128 1554019.2 1447685.572 2818005.383 4706185.296 4524222.393 4889561.368 4701859.486 4099741.398 5276886.788 4975930.597 3505979.301 2019661.843 3064288.075 3102338.479 3215997.566 3546482.104 3645578.797 3250183.409 2583834.918 5209761.62 4490344.339 2113748.752 3214633.972 2277666.124 3850160.721 3222687.944 2430524.246 3173874.429 2787935.052 2052455.467 5729853.303 2021059.685 1874386.358 3,5,9-Trioxa-4-phosphatetracosan-1-aminium, 7-(acetyloxy)-24-carboxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- 1389773.712 649558.4803 1982052.826 1917923.797 1502842.556 1515318.28 1292919.806 1698786.478 1158035.754 2309393.228 997069.7612 2505956.106 8301986.054 6329548.26 5220439.758 680329.8611 1256615.183 1059433.849 12938033.33 3615176.21 570689.4994 864340.9129 2341128.495 624148.2268 6680432.197 105954.8237 268628.9111 116569.002 6722605.394 58164.63672 306029.9728 345541.5179 92712.40287 161429.3151 271091.9508 200926.547 116598.7164 298187.8378 132235.3307 122347.5361 119521.5527 384359.1384 337608.6889 288226.2261 297257.2939 213304.8899 271886.8373 120564.2985 146064.3803 322082.6259 335782.1078 315178.0825 147842.9982 135462.3236 290292.5726 416263.9308 260856.8014 294859.7286 370429.768 212964.2199 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 443351.3233 587770.7747 242830.248 1656493.178 211566.201 208245.6245 331584.4418 361418.198 366280.8468 176628.4565 1184256.244 2453092.838 273359.1605 872834.237 592673.8976 2403292.965 58074.23976 337050.9913 311686.67 166953.9857 195208.7008 2609150.563 559621.8709 563027.174 1422193.905 391903.6239 699167.577 580614.0624 254137.9383 924532.8678 357401.5924 273760.683 791094.9322 517132.2692 246608.1549 550413.7742 385973.711 1642949.092 229389.3385 134163.1163 627996.7101 243485.0003 360268.3315 895109.2658 595481.7696 319981.2823 582349.2443 288649.6541 652218.2372 972810.2261 817343.26 432586.2591 422418.8357 310170.3012 723537.1775 763281.9829 659195.7673 410584.3077 321704.713 912072.4194 3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one 872370.5031 1188086.302 3118894.391 1206561.735 1199853.263 987047.0361 2647254.372 7744326.758 5787209.983 1386702.569 3747679.949 1409665.949 2865362.86 8065540.741 6010186.8 2646111.779 1282872.97 2198797.176 18338774.95 5687778.339 42852314.42 77754112.06 11229332.36 18119500.04 21542778.48 120714415 147635776.5 103032624.7 22589353.34 64699412.9 5906267.647 4610805.69 4783745.511 3975957.352 4830657.587 3889905.176 4633200.541 3451023.803 4905147.251 3868559.491 6100885.614 2785748.596 9479807.835 9151074.823 9193933.366 6363346.825 5533422.014 4692983.731 4871539.134 8968709.552 8331500.422 8239437.105 6951135.122 4190941.584 4468499.328 5958699.934 7737756.845 7308905.887 6917839.196 6450882.963 3-Amino-1,1,1-trifluoro-2-butanol 702572.4931 418688.2788 1114553.199 739189.4666 241616.1642 316412.517 498807.0177 1318525.119 736194.2174 403297.8232 386823.8374 1076215.611 492047.1 484230.3642 692711.0728 238517.131 1084238.143 456154.0862 2188451.717 301341.5031 272119.4571 1036361.413 567602.2063 582381.9441 424445.1064 4545951.377 3037208.074 3214136.147 974128.7626 2603778.687 571424.1646 676630.4996 663792.7216 508485.6934 549943.3001 560357.9625 721867.5071 507219.6548 729784.9804 767894.397 761702.1704 518932.521 884035.8944 20001.74941 44130.32853 22337.5055 869713.9409 700491.1496 452812.5104 578277.4505 524728.1471 610652.914 467956.9589 504908.7529 673611.2173 610195.5836 685514.64 29605.23443 726056.1703 659669.131 3-Amino-2-oxazolidinone 2273671.783 2066413.602 873011.9834 2330792.222 2324531.799 2261581.286 223691.4795 184661.0672 963412.7188 228355.7898 2151161.064 2386891.393 1676038.319 1569074.16 3680874.027 348186.2309 117303.8085 184887.4431 6464877.077 494581.3132 636547.8494 1071773.243 408131.3771 1114096.785 1482125.961 2597239.802 1148841.65 1465660.322 2843787.76 2105773.109 2092808.387 1771622.486 980610.5461 471582.8534 1880921.721 907868.1471 1004185.305 937199.9681 245714.9414 1164626.146 2539433.73 969033.8542 4041756.374 4350646.588 4465165.873 1276395.021 1128114.943 1299338.498 2182129.869 3161834.555 1924583.135 2855319.883 1678512.113 2217149.702 3338571.598 2952541.599 3237679.139 3666772.767 3511488.416 2183812.437 3-AMINO-2-PIPERIDONE 3257162.991 1643855.305 4841978.948 1625097.318 2594042.863 3493802.998 3181288.075 2774428.655 5564427.344 3158893.049 1258527.995 4407164.266 7018061.035 9250521.543 7115344.352 2229954.971 3790562.71 3273487.651 9777708.042 2786833.739 2618867.982 3859453.577 2147815.705 2624751.804 4641657.014 6815423.405 6352180.085 5281449.627 7808185.975 5347520.387 6662419.219 4204073.425 1547830.804 1294151.199 5901773.929 577234.9729 1595241.999 289853.3488 1091470.155 3296576.419 3827201.014 224242.5697 7329880.062 8662909.211 5711213.058 1271400.173 1869016.413 1170945.346 2460429.287 5881037.99 4410045.926 5171744.51 4406795.189 5421886.856 5972812.1 7061773.027 4552509.943 8043497.879 5295447.94 5223962.03 3-Aminobutanoic acid 9031537.199 45158999.34 114477378.6 5686365.854 7634211.786 8075910.969 131510556.3 4640196.572 128018381.6 4482276.604 112494161.1 106373084 7469019.568 6939225.342 9882727.301 4908424.203 102618013.5 161860221.2 12978915.3 5411232.959 6430657.189 6835230.438 65450878.91 5410626.862 5656196.21 9578407.26 9920242.539 9547109.496 11712196.31 8264896.244 3900682.652 3919873.926 1415622.465 4687519.039 3468193.203 1423626.001 1545821.365 4548676.623 2304581.813 1809144.031 5523856.77 5080939.749 3024996.374 4559439.098 3573049.331 5111460.222 2973176.813 6228618.559 3428073.323 4162894.631 4794027.882 5183379.619 4101837.847 4367684.943 1149355.71 1375415.781 3937486.085 4312838.194 3432478.833 1847249.449 3-Aminoquinoline 752702.3214 6992889.691 992233.2953 1024553.527 818219.7616 918114.639 389195.8001 662026.1466 578499.476 403382.2122 455683.7201 891077.7112 362580.8542 1607986.88 32357384.33 0 640633.9667 1125407.121 556564.8084 1222197.808 3140249.601 1745358.667 1841993.998 3247661.567 244505.2994 914795.0336 891384.5075 1197134.951 574167.47 1140372.784 2870357.087 4304170.485 2060614.411 2182774.447 2306254.77 3900591.936 2056667.092 2775913.974 2054113.678 4976598.642 4306184.689 2135555.185 3624404.518 2273201.033 2546676.686 3445653.051 3161622.581 3459021.068 6375736.514 3883300.023 4897352.11 7669692.009 4504678.147 4013540.743 8726374.103 8740330.23 6860677.531 5664691.252 5457344.866 7122751.878 3-Chloro-4-fluoro-5-trifluoromethylaniline 6312440.351 5325910.182 4437873.433 6012365 5412577.05 6376578.007 5860150.463 3242292.86 1835265.176 5665803.237 5386561.032 4382503.225 5716739.359 2384326.996 3089809.925 9458691.003 4807488.305 2554143.059 1401541.98 4903640.102 2716695.864 2276183.556 5117359.313 5148613.963 4837222.853 489236.046 718060.1872 1733750.892 2147018.48 2206632.691 985690.0895 1119378.989 807654.956 725824.0809 916293.5558 721793.8363 719532.9048 1179574.992 584352.2266 704774.859 1284574.468 660550.6358 1327757.218 1805381.286 1472219.674 815830.4531 1060673.918 1002869.639 538166.0462 1228035.03 666002.5228 624911.4917 863260.0395 573743.1551 597525.1905 651047.4468 1001801.618 1084511.101 838736.4822 619757.595 3-Demethylubiquinone-9 5416582.724 602036.4237 5016287.101 618909.1785 3742838.862 4705240.025 4157686.648 5408597.562 4348297.798 1021992.651 5235469.603 3819459.858 1781267.235 3350256.791 2303538.022 3629145.742 4486421.506 4125276.793 3455460.585 1043112.669 927083.8929 2804575.723 1724489.525 2824183.875 2026505.814 3243493.336 7899129.787 3487032.993 6233229.313 3120445.319 988726.3121 7831542.31 8237050.775 13117917.89 7045057.064 17313872.47 8806022.532 16728843.77 14496320.95 10213604.56 9961684.558 9770896.586 4130513.709 3943942.21 5549962.037 5395776.837 7503308.822 11669000.47 3769729.376 3733258.856 2906892.505 3481623.074 1394379.6 4626067.349 4757587.553 3761014.209 4382782.954 3305503.428 4167819.907 2596436.191 3-Dodecyloxypropylamine 22256546.63 5665275.205 22477183.47 6722269.088 22660406.47 24747879.13 21988390.86 24546532.34 21235203.3 5157558.025 20189301.81 22311509.94 15131083.44 22973075.47 21645463.44 16338933.25 24045695.05 22088109.91 21115357.87 7901660.649 9554304.943 9157635.872 5873021.622 10316400.68 17578035.3 30482004.16 30299884.16 27904859.85 23147298.64 29991552.46 1517033.922 1759138.924 1559675.551 1386833.354 1337175.152 1513644.27 1450339.387 1149732.967 888658.5238 1609250.575 1617955.81 1575111.545 1445250.675 2400787.641 1108867.948 1445399.726 1641350.999 1405815.088 1039150.619 968443.4265 1366244.739 907780.8458 803382.5148 869907.994 686795.6622 873786.4568 950854.6192 1185239.167 960549.0541 1063959.275 3-Hydroxy-2-iodo-4-methoxybenzaldehyde 3356900.137 8247376.597 4276055.962 7488874.673 4209451.503 5260066.432 4656087.109 4916675.336 4000527.046 10696473.9 4498132.936 4269212.2 4628112.413 4001097.375 3644009.895 5404727.175 4468845.824 4538165.391 3882363.923 7895443.303 8837968.432 6415337.547 8725135.87 6502442.768 5043520.23 3724438.734 3985938.61 4441330.571 3845615.074 4620364.511 2786518.565 2845682.252 3106652.712 3015450.374 3107509.634 2843311.584 3039875.199 2959532.627 4221634.725 3047772.74 2793546.569 2830328.582 2859207.12 2410532.765 3351272.529 2869407.053 2708618.354 3787977.691 3763440.165 3440870.637 3314664.947 2742338.833 2524159.761 2754027.941 3174941.427 3063263.535 2911660.004 2586646.428 3898703.574 3159695.054 3-Hydroxy-4-aminopyridine 21172775.73 35822769.79 16871291.49 26575499.63 30603666.22 32538077.56 21420536.17 24163076.44 15895230.75 32063184.41 16916819.67 19188463.43 17883143.24 18357774.44 18491197.68 22767514.71 40979141.15 22094627.4 10521569.48 23773267.42 11000373.14 18389523.19 12637602.57 11850578.24 55925.57219 14880922.62 17068061.69 17967274.34 17174768.18 16395813.18 13790847.48 14006493.31 55559329.33 16177060.29 42141546.52 16599587.42 66297080.08 15678903.74 53154834.86 38821450.88 13445176.21 69354400.79 10992349.3 9648880.267 11921263.55 16235220.41 13656975.49 14982730.83 10214424.86 12706449.98 10469264.48 15139504 17847040.16 10533055.5 13297908.49 30854887.57 9374539.827 12636467.52 16769107.19 10639738.34 3-Hydroxybutyrylcarnitine (Car(4:0-O)) 704399235.4 486662634.7 1180167175 657435461.5 1142300096 749954563.5 657794468.3 928299705.9 452711573.3 131949379 895300967.7 850660484.6 517208319.1 323641453.9 452212075.6 1064669668 737207777.4 328940617.3 747809442.5 268678377.8 435220488.2 505000320.2 421407553 296417265.5 332648351.6 260119700.9 325967700.8 230232842.2 293589509.2 210836885.3 78169785.51 93401356.52 132498714.5 142924862 64629868.27 206166726.5 80520515.43 92791205.64 97173745.84 62558868.95 35514165.23 156393540.4 25814906.04 22423049.55 23349929.38 147507905.3 126753021.7 111406006.7 26232229.4 20377126.34 42073037.5 21429102.83 34992474.49 30795766.88 24788937.99 16046346.27 19740248.54 14286702.98 17285146.79 24614632.29 3-Hydroxyoleylcarnitine 1667319.7 814011.4031 1742722.539 739126.2445 802393.6355 1772554.291 1948733.414 2864149.809 1667531.034 158453.4337 6627674.654 2047810.897 957440.4163 1375776.194 3246788.289 2557922.432 30588906.21 2543134.366 10652596.74 1393135.483 2582310.914 5972831.564 680050.7572 1329054.108 8840298.943 1816114.972 3259974.113 215497.5319 1806119.282 9176549.17 14030953.36 25422638.25 22956366.21 22243801.59 14814129.81 13117465.39 9945637.661 23303926.91 9983324.655 4720981.293 4476765.272 61848560.08 2477243.956 3547156.781 1942904.299 13151079.88 7201507.306 7016491.739 1485847.111 3199410.616 4213963.342 2050382.666 5577643.609 3245018.211 290192.3166 108048.577 47814.38125 43825.32045 71505.63058 1729390.109 3-Hydroxystigmast-5-en-7-one 208626662.9 27839578.91 159323043.2 35157090.48 192308973.5 161674041.5 160264585.1 192437058.4 174023302.3 19681659.9 121982284.3 238472465.3 77017110.22 86191943.2 36861808.97 143928172.8 172825331.7 167816898.3 103009898.9 21808171.55 36786111.62 43460695.47 33572525.63 41657307.01 55304417.55 67917061.14 94830121.21 68071200.98 109145812.3 67998590.3 12372587.66 23637942.65 24985613.45 23909861.46 8982429.966 23911687.32 24734286.87 28912283.49 17960575.98 14694044.26 8606981.664 40023905.74 4761429.082 7020959.089 7247923.031 14030622.46 20379207.6 16372399.55 5666801.74 4713857.98 4230151.133 4243985.615 5141145.944 6537646.265 5968854.435 4721266.224 5953669.973 4376433.419 6051222.675 4719552.564 3-Methyl-.gamma.-butyrolactone 24467455.25 17405895.96 52849423.26 22219740 38715823.3 16996602.05 23263359.87 30745892.71 29496526.29 16795895.47 16451372.07 112725314.4 51335480.54 30462272.47 28798135.95 16559086.86 19174175.98 22362905.16 68616109.46 12545795.85 12723968.34 9957765.763 8418390.732 7808407.821 77995609.98 20184750.96 18847785.22 14041295.21 34736732.01 14331211.5 1131663.687 1789191.791 1642891.529 2477283.856 1021965.304 1341139.545 841156.9209 697798.491 671251.3237 675741.426 902720.8999 2215254.353 1005571.602 1503742.749 1970695.67 933235.6032 1442685.526 916034.0523 1254378.204 1304583.427 990260.5864 960966.6949 752297.6447 1125314.377 2059221.359 1417287.201 844420.8707 1164845.148 1213301.613 1133533.099 3-Methyl-1H-pyrazole-4-carbaldehyde 44907770.79 10453212.38 64614124.82 15823340.77 84056787.34 81006625.62 71436661.61 84426818.19 97603989.64 16750706.14 114887311.7 66711786.42 38878957.07 108486859.7 46022737.03 44928568.7 110583988 104109170.4 80734559.21 28931386.38 9280811.418 23323946.6 13555821.81 16035384.06 27501340.23 50756551.77 48053103.84 50003116.69 41207772.91 52053814.44 2268869.109 1219988.165 1217964.12 1140874.189 1075867.386 985723.7454 1048864.189 1980940.817 706975.2351 1326639.516 1184495.852 1043227.305 1302136.605 972537.6295 1114559.093 1198365.461 7553.559913 1290976.298 15869.13407 1237790.853 1213164.053 1429675.918 1142183.473 1357005.833 1090893.987 1403468.342 14852.22988 1191630.726 1062661.078 1127501.097 3-methylcytidine 15641255.64 2993272.31 11371614.25 5569295.639 10066390.15 9850356.464 11835106.46 8038745.274 11445139.3 1400309.87 15252643.87 12513480.84 5191003.677 10092957.3 11760328.81 8435697.966 17748152.84 28807512.73 10485264.49 2639144.459 4611617.076 4171325.666 3451741.823 2658674.322 6851020.109 11551552.11 14773647.64 11733194.7 13511640.32 12265086.19 774170.3695 1117419.427 1139283.607 1154887.876 1171223.643 1392701.82 1049431.72 1004040.777 1334010.569 1586542.023 1733630.545 1108220.77 1360554.886 1240302.378 1174288.225 996939.3184 1632934.417 1471537.646 1172625.441 1162098.251 1284128.522 1157492.948 1494837.537 1136842.495 1182464.001 957518.7209 914278.9162 1175338.915 1141384.696 1240546.138 3-Methylhistidine 46940816.61 13342467.41 59378182.92 8229083.143 59200449.94 72523980.82 36876251.54 24427463.08 48139084.93 4514059.785 35664330.13 58384953.31 34753016.13 11291206.59 10465410.23 19001884.82 55663125.73 23922167.27 16596525.57 7375510.374 9996783.162 21712443.6 7139112.699 10509352.87 27132594.81 18475478.73 13257270.02 24342869.74 15816566.06 10289802.84 56359242.14 44616173.72 41261927.46 40989351.54 41080083.45 45636367.87 39567962.46 56858752.8 55252297.27 69305591.36 74591832.84 52183189.41 30536139.06 48736633.66 34371389.05 41917545 80206641.02 79494604.32 41076800.67 43297063.93 39264607.72 45806177.63 51713916.75 39682429.74 40431852.99 51061516.29 38635638.7 42011044.53 38507429.92 55633651.76 3'-O-methylcytidine 1990397.264 3418467.621 2537410.068 2673061.927 1979549.333 2614816.346 4306524.845 3220866.961 5472514.08 1458734.532 6164369.795 3871158.881 4008133.97 3075069.454 2938888.166 2069851.36 8415399.578 9762072.086 5409095.694 1263282.636 1234698.176 1580253.572 950513.2492 1421349.092 1317556.545 4629638.228 2863442.01 2424743.355 2969931.544 1830527.278 2189789.092 2644736.047 2593662.153 1592858.914 2315453.715 1862885.564 1966823.185 1434694.396 2395805.111 2615253.758 2925900.792 2030655.08 2967468.014 3429130.142 3344416.556 2451664.946 2439978.012 2283749.203 2074604.759 2709087.275 2526259.302 2375128.244 2463833.62 1899155.024 2630663.055 2262076.57 2151862.587 3853246.093 2468726.543 1953176.156 3-Piperidin-4-ylpropanoic acid 1391822.209 432097.2694 2511072.858 568620.6411 1498912.719 2000703.974 1950518.788 1330908.172 3534514.668 2019646.952 1091024.895 1064098.332 9477092.894 16541274.39 7289047.715 1465794.828 1642815.525 1408518.076 11131515.73 3449492.204 7393468.426 5298185.537 3843416.6 2102343.372 6866592.276 14465872.67 13385459.17 8642564.898 9627265.16 7302247.043 3798966.633 3830591.919 1837411.638 1083123.771 4219723.296 1083191.894 3447314.536 2840413.284 675520.92 4991910.188 8412278.01 485534.754 6826825.946 11754871.66 5471238.306 2636534.853 2490318.556 1229644.9 8128492.166 7175401.344 5959579.132 5978572.388 5263978.858 5626191.262 9220604.757 6260975.928 6159457.856 8131134.717 6056032.643 5390388.769 3-Pyridylacetic acid 17104299.5 5351667.77 17548426.29 8308187.377 17749054.78 24129179.74 13188782.72 18088370.8 20605470.68 10499190.26 12422576.56 14555124.57 32196608.72 25304692.24 13125699.89 12059421.7 11442016.08 13886631.34 25716148.82 19125810.04 8792052.715 18022913.02 8917127.852 7687548.245 19891991.54 30978747.11 42478723.69 29694852.82 24352879.03 24737442.11 303181.0602 929576.4794 319934.8627 333844.7122 281806.6336 626202.3259 315882.0082 707443.4183 247681.4873 255441.2703 381023.6803 659742.4698 376347.7047 389862.9628 277466.136 297303.5199 318853.214 285194.4036 535288.6953 312028.5327 253566.4578 261792.4511 289763.6934 247579.2466 227771.7699 320688.0718 294225.1107 194696.8017 262341.8898 263907.1562 3-Quinolinecarbaldehyde 6670053.698 1752480.068 6322596.151 3565718.085 8775267.427 5407406.072 4025258.866 3031046.111 7793891.028 2916607.983 5305982.546 5252086.864 2172907.772 3842483.938 5428162.236 2164741.527 7391512.007 6801110.954 3960151.398 3633530.294 1370814.022 6719527.939 1595900.128 4104851.783 1182945.755 6857465.587 9640856.766 7581152.484 1453512.426 7079229.251 6575667.43 4152068.012 4309887.784 1624015.249 4920117.339 3131593.11 3601985.131 4842507.206 4083287.513 4219767.691 7563005.896 3126587.724 6913305.724 6055596.667 4472022.152 6522662.936 4235936.028 9228453.82 9179816.795 5508058.903 8123329.679 9673752.384 4024173.704 5089252.688 10779088.41 10054779.81 11797224.13 9136401.191 9768530.574 10474749.38 3-tert-Butyl-5-isoxazolylamine 992759.6513 2339344.451 1000632.598 1447467.002 1054881.228 1157382.442 424471.2339 1083648.622 932327.2684 1275126.703 755387.3053 883816.8409 690261.2221 1215317.854 1091325.302 576154.671 1025225.62 1127669.539 790705.02 1547791.992 1181090.669 1435359.453 1341564.931 1355642.019 826376.7221 1337082.017 1062499.825 1275301.646 949561.2332 1290696.508 662252.9785 641399.3721 818624.7101 1030805.474 397032.9704 546340.9928 283707.221 743505.2777 593753.674 880290.1066 533565.787 537742.6369 780698.596 847706.453 751984.5596 460307.1952 571679.6692 642846.6658 605151.6375 852839.0573 789398.2726 833964.6149 670170.2494 616398.7396 877570.6019 998568.5766 827458.6102 1140167.905 682620.1415 697454.6852 3-Ureidoisobutyric acid 28292412.85 19568848.63 18590249.19 20335998.16 31375176.32 77662760.33 47424756.65 75186493.24 32147221.87 18088927.5 27660599.81 28979011.08 50448508.62 29030809.35 24066070.33 52482455.11 39238105.07 187481052.3 32147725.4 49684416.09 23226016.29 45444358.61 36520443.37 12501737.31 31837883.96 35521428.42 73543016.5 61259205.98 19301224.83 59782247.77 186097398.9 10422958.39 24371575.11 13940779.3 13465310.32 14538200.66 33038197.58 21011567.92 32100896.83 37938190.56 5779887.995 24159673.46 5095949.832 19901843.62 7814143.518 30826633.22 14607266.75 37390179.2 14526293.73 28311770.11 13320351.8 18290503.51 16149043.67 28049802.43 20508919.55 7971830.827 132261028.9 21381623.25 21602378.25 3822947.637 3-Ureidopropionic acid 3015557.403 956431.5074 3261685.514 679722.4334 1931106.954 1812652.305 2343711.808 1782653.716 4412639.894 438105.4142 2041167.002 2873432.07 1970720.865 3164074.848 2561641.671 1873353.914 3170977.298 4706763.827 2916573.147 1348119.088 1184731.206 1350445.037 975790.001 1101930.746 740944.4049 1890290.447 2390620.001 1669038.225 1529948.033 1679651.904 5599931.427 4413800.803 14752834.56 9519433.028 4459171.566 3233762.702 9520221.765 15159506.6 8192554.915 13501523.37 11057071.83 6185059.235 3970020.584 4222003.745 4046425.035 2319135.838 3232050.007 12747941.22 4099232.478 4333259.623 4425909.294 4351339.251 3344286.586 3138721.619 3858023.188 3779428.294 3419491.457 4641199.637 3122247.5 3275532.93 4-(1,3-Dithiolan-2-yl)aniline 13616148.19 4748132.765 9483962.007 5718859.103 13672739.87 15078482.61 12054341.91 8251487.357 6191087.831 4091076.647 10765239.85 13055429.18 7974137.571 6061513.833 9185161.318 12276749.42 11958429.96 7421540.133 5117656.197 3803874.496 3600178.066 1693633.548 3314643.323 4660847.343 6578584.062 1623599.387 1623001.84 2457679.029 4688385.784 4214855.081 735726.3785 764861.1484 565049.8813 669379.5792 664401.5433 641973.0219 591388.2772 658541.1787 553053.6106 641530.3493 679300.4184 622152.165 660102.8419 614808.7122 660050.1212 704495.9959 695254.3609 567862.2348 634933.5663 585497.8954 618706.0806 664801.4273 628275.8002 613056.0177 614756.2377 660521.8939 640095.7711 652738.9405 630840.1626 663920.5772 4-(2-Methyl-1H-imidazol-1-yl)aniline 2946909.318 1000181.061 2250638.081 1977004.125 2164220.756 1588701.133 2072218.32 1316274.29 3297207.483 1673707.933 2113352.389 2411371.833 1700137.346 2762053.617 3249832.682 1582592.392 3377087.189 2587695.928 5652292.529 244429.9347 725198.2863 1879457.292 1177678.523 1026442.215 1243332.495 1760644.914 1356997.446 698721.2274 1891252.841 1900862.044 8161263.816 7862593.331 6882206.449 5843545.207 9791912.591 7743656.043 7455130.394 4323696.538 7487732.866 13948469.13 9158787.352 4452482.006 7472171.753 4996858.039 5168501.397 9427762.122 5778675.625 7963518.629 13384123.31 8126415.825 12631206.01 12969462.26 8049837.355 9979697.43 19448577.04 13258326.23 12489081.09 12514894.26 16793660.4 12068695.43 4-(4-Chlorophenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile 2808530.136 1234941.952 2299476.332 1381359.558 2393252.852 2150937.21 1735753.468 2301083.314 2141003.101 1071688.155 1309833.615 1827097.86 2347154.308 1908394.924 1807712.827 2137979.479 1850714.773 1341288.876 1729070.223 2077264.047 1727011.259 2029032.59 1453729.709 1176590.859 1941186.128 1815794.665 2751040.267 1685641.958 2138190.745 1444738.108 1349862.717 1485507.681 649385.9697 532393.4834 1711703.284 858494.6176 799280.7554 195955.6762 1320960.95 1714721.466 1591655.857 680471.6207 2225352.776 1638653.772 1860727.144 1980300.22 1647200.75 1091446.879 4628979.236 1907106.096 4746204.175 4222379.837 3444674.003 3945587.911 3279264.252 4384269.092 3429917.583 1509941.448 2874360.283 4441754.579 4-(4-Piperidinyl)morpholine 6437054.131 6787398.086 5362964.349 6982849.131 6309236.007 6763955.611 5088668.074 7488068.902 5172444.334 11032563.01 5446225.176 5531084.113 5929727.798 6280865.492 7621507.201 7252704.011 7774733.041 6218408.24 8428528.865 7789397.85 10966183.22 6210170.533 9932260.72 8039204.686 7431169.842 5995947.723 5353329.621 6458086.151 7962272.665 7959965.532 4468724.437 4387963.704 4563097.51 4994751.246 4672133.652 2676194.076 8618801.268 36442.87489 4266858.857 4162753.581 4081403.304 4482790.56 5034184.713 5050208.99 2828612.683 4862828.56 8505626.293 2838222.606 4797619.303 5046699.898 4923218.745 4915451.433 4520906.171 4808493.294 4947658.083 5058494.625 8722112.592 4836757.731 3194497.535 2767440.294 4,4,6-Trimethyl-1-(4-methylphenyl)-1,4-dihydro-2-pyrimidinethiol 2692842.721 395353.8566 5483697.06 1012629.745 12686205.33 3521383.853 1890083.185 3010669.561 1909343.98 719155.4346 832482.0097 9280354.083 5863902.204 5652770.187 2075443.238 993976.0796 739518.7163 1067762.681 9095343.182 3554837.187 1029548.683 6354567.367 1576770.025 3921597.565 9898053.621 2640605.588 2517917.754 3668974.719 7460665.254 4475095.724 2925825.755 2823617.433 1264729.232 1163324.305 2252642.633 1196235.715 1334092.285 1460140.332 1143938.666 2251149.619 2006580.45 914930.5598 2097277.243 2625471.287 3649435.868 1287034.9 1408744.535 1431396.565 3492832.39 3520341.098 2809251.056 3194806.022 2885356.487 1994084.171 2821654.843 3003863.386 3682035.27 2575235.576 2437627.684 2049675.599 4,5-Dihydro-2-methylthiazole 4600373.305 10857623.14 4882566.516 15181231.6 7036166.074 4357944.109 4334888.997 4706072.942 4770764.264 9897316.85 4924018.819 6350104.467 6271342.289 6737247.93 6073176.342 7072023.907 6092853.05 4524588.104 2996009.138 6521517.864 4329347.146 8461786.498 9623321.644 7955702.664 4081438.145 2532992.049 2605839.911 3066341.344 3387275.895 2495257.145 2624197.851 6139227.092 1120341.589 1080907.467 2288297.166 1100358.836 1198030.967 984261.5743 876541.8924 990211.2421 1368304.734 1388745.121 6140667.096 3615817.733 6092815.062 1734944.797 3941646.962 2994326.902 3572801.664 6732978.702 4030326.789 2208393.709 4796216.798 1904597.923 5972069.783 5913725.282 5813144.123 3484332.233 7004340.732 4526474.711 4-[4-(Trifluoromethoxy)phenoxy]piperidine 344109.189 133235.3744 4650611.987 1301769.192 2399491.193 2149918.587 2744729.639 7677285.005 9480909.128 2416522.348 302237.4972 1418914.412 5055076.603 9451501.566 9671504.46 225558.1323 241616.0699 4083296.361 5565986.012 9817842.595 22941144.16 20858835.91 16884739.26 18933068.33 14324874.32 11023549.53 5961217.971 12410312.78 9710766.128 11615640.18 2007115.52 1897709.768 820626.7818 967536.881 1614110.75 1186175.157 592323.9517 2372774.722 972822.5023 1427911.792 867595.3491 527899.0276 1945573.499 2177431.613 1725158.182 1168047.601 1600192.816 744535.1425 518754.6144 1442235.549 1021726.309 1107741.221 862283.7403 982812.6199 1196080.416 1033695.225 1049661.96 1420006.503 1043947.466 634744.9624 4-[5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline 74008.30854 109737.9786 188432.354 127325.5116 81911.55753 70835.13939 83986.5364 351047.3232 218447.53 192969.6088 127948.1369 81053.36143 257528.2417 326938.6194 535044.6189 137832.8535 150436.7164 104611.5038 236284.82 414913.0395 1129361.635 2810225.419 984524.8989 862993.3386 1577767.451 2263020.602 2006514.624 2755197.944 1287841.501 2364641.028 722102.1553 636735.7561 890173.7656 631973.3344 727175.3859 672326.2527 757091.2213 342553.9732 807959.7029 651599.9039 949237.0029 564231.5733 1191463.549 1333758.016 1094694.417 976347.4263 1329389.043 744464.6383 691015.3357 1070902.71 1027888.699 1089587.337 1342937.14 579486.9699 804947.2189 1906258.135 3744212.902 1061169.359 1213244.873 1194310.076 4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol 1246835.745 1199730.122 1303204.912 1280408.182 1389572.767 1406203.674 1441950.876 1229554.903 1327186.009 1321248.266 1275498.905 1299531.086 1317612.748 1358246.262 1410541.356 1474208.406 1297092.149 1302600.45 1226871.003 1197942.589 1386871.643 1339375.593 1434432.396 1250219.32 1338150.314 1352012.017 1287989.153 1382093.916 1387855.261 1178498.382 728280.1063 790547.8108 703437.1976 837866.1927 757687.5341 758575.8952 762312.106 920397.7749 839779.8085 774903.8078 781103.1784 755687.2536 773540.9475 755447.0779 773127.9187 703894.0768 774112.8294 797386.792 741983.2015 775226.9801 753225.7564 870656.8967 755109.3625 816133.7518 823706.519 771043.6343 724004.4031 791870.806 735007.605 727894.3519 4-Amino-6-methoxy-3-quinolinecarboxylic acid 15970572.39 32362514.26 4614015.679 29253578.67 4861666.496 5292781.316 3632453.726 5812716.861 2219954.922 2677979.803 5308332.199 6656330.744 3400179.188 2131846.846 1797396.486 7598257.967 5733685.959 6803542.369 2189776.936 10217541.76 9861032.953 11269797.59 8021634.696 7891291.015 7247185.745 4491721.715 5851110.711 5746286.921 5169799.293 5805937.82 2213255.835 1640719.125 1274138.949 1108303.101 1901344.983 1448292.821 1332501.819 1704793.294 1192765.178 2039849.134 2638394.731 1344861.228 1900868.068 1301534.673 1121997.676 1635706.708 1447043.752 2142584.234 1852887.822 1438126.117 2234444.661 2336983.071 1011606.651 1253191.285 3184616.494 3998444.981 2821748.767 2893411.916 2500094.891 2399081.015 4-Aminobutyric acid (GABA) 345989720.9 105798204.2 315813394.2 131057995.2 277060299.6 260373995.7 345055744.3 308623762.7 227429483.6 104853809.8 241158161.2 262750498.4 169898946.5 231868918.5 132078904 265244383.6 475416698.1 349383569 258972546.4 146155903 131753445.4 149046272.3 139394088.4 97940337.89 142464480.8 275177382.4 298452873.5 244237994.7 295098077.7 212584865.2 6833083.255 5162732.458 4943680.739 5015646.482 13577839.88 10907782.48 4782957.036 6197860.318 4886225.757 3854434.616 5004474.568 5025261.873 5247200.623 9919312.235 4950763.171 4528040.195 4454729.79 4696581.766 10244120.62 11717427.74 9136902.143 3528098.636 8266642.566 3200590.259 3685843.921 3560294.897 29058169.34 3292244.221 10626343.23 4182527.92 4-Amino-N-(2-fluorophenyl)benzenesulfonamide 1667879.235 499683.3903 1276229.762 641102.4239 1273589.386 1472558.992 728320.0414 1436861.697 1945771.608 175938.5718 595657.9641 1270722.659 563621.4817 1451680.242 1577220.779 660913.3013 1208262.897 555636.5789 1455273.129 611878.4014 761814.0796 1204013.127 417745.6249 592866.3328 794871.5483 3039372.467 2106065.789 1492329.555 2220733.472 663552.4966 906144.8883 881377.0901 735133.2166 1502166.801 757614.0181 1378909.329 667418.9152 1777821.749 520513.9992 1078041.306 890649.2506 731014.4626 386049.304 378445.1953 366056.8801 603954.2461 1088396.63 1004725.141 745302.1807 527168.9551 816345.6398 655356.0154 912462.9205 796947.0762 547124.2138 372327.174 333892.318 380578.441 467111.2599 495715.5315 4-Chloro-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone 1639548.665 705775.4724 1896822.727 1110115.631 2110314.948 1749736.549 1833449.775 2053473.137 1996678.114 591859.2305 1559843.539 1703365.674 1187623.256 2857176.998 1606084.49 1635556.178 2548946.653 1831888.348 1768673.997 754660.7009 488068.4946 1324415.1 788399.7489 748759.764 772075.9015 1278746.058 1946929.345 1162832.709 1232526.897 960070.379 3530040.935 2372686.46 2014940.705 3007901.797 2065473.171 1702188.866 1595560.535 3413196.356 1655415.052 1355254.009 1418193.453 2476331.304 2077365.328 2197416.37 1928423.146 1976847.833 1904947.832 1821696.168 1226962.132 1966630.772 1292423.32 1813911.344 1384608.139 1053477.929 1920983.211 1821569.736 1687008.147 2306009.908 1560248.728 1363410.333 4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine 4478469.523 1188371.65 21854265.63 1036852.039 2747324.6 2981194.269 4406081.155 6811626.805 4206710.255 1749373.667 1981592.623 3374904.158 7291415.251 6768870.708 5040887.57 4763986.445 2846875.497 3910769.214 6998405.54 2368813.968 2647825.306 3440389.272 2838137.415 1970171.099 4557484.541 6902203.915 9673194.417 6249555.701 7884548.266 5971148.05 26572822.39 20472899.9 17957258.23 7152182.908 21725959.24 2306661.53 14661666.4 4835508.135 4692726.002 11810148.61 36609451.33 1985302.081 45243747.93 45821010.21 29490300.14 13546861.72 8281322.863 13733383.87 10688854.58 40995555.5 14230051.81 15393875.24 19343146.78 15367957.56 57169982.09 33433563.16 51028262.69 48181024.67 54826390.46 25105508.43 4-Chloro-N-(5-fluoro-2-methylphenyl)benzamide 1042761.502 1912787.472 3099697.541 1747352.809 1250156.81 1165861.997 1663340.585 4700846.389 3727621.141 2836638.354 1635533.043 1321671.659 2867399.061 6026936.912 6256681.35 1821306.155 1247654.778 1622882.444 5693043.008 6492693.657 22180408.07 40791045.75 15871923.24 17036461.76 23341641.53 36454763.67 33726686.88 40367371.2 17406709.99 37025094.74 6066490.207 5443822.654 7331518.897 5199825.78 6103728.045 5609391.687 6559015.52 4433033.502 7188649.212 5204743.051 8733328.856 3951747.347 12207982.83 12505674.48 11679945.78 9044330.34 7972872.964 6530561.275 6139362.545 11433766.02 11628438.59 11938215.63 10556603.45 5964143.779 6308456.057 8319411.894 11300716.63 9423980.804 10450965.68 9830673.942 4-Guanidinobutanamide 5859622.07 1916865.32 4094120.413 1033867.153 7682164.214 2539072.356 5099401.494 3004599.78 4138091.51 2012985.947 7248247.395 6170246.793 2989192.994 6239984.058 5605880.218 5135958.743 8066840.06 5575340.721 2151223.163 1244347.495 911846.644 772391.7422 2701960.463 1142511.663 2436334.917 1642170.058 1395215.015 1522746.281 1508509.786 2200294.45 2387438.248 2289079.675 1808093.831 2134427.653 2450413.352 319055.3217 988964.5477 783471.906 259731.0557 1519512.516 2765461.928 231978.9442 3303623.614 3432149.173 3293330.785 1365392.949 604013.1683 2240656.433 3059372.361 3441995.596 3386521.925 3688527.915 2364799.766 3100178.277 3513893.767 3192924.976 2912897.146 4280368.945 2854437.145 2418403.289 4-Guanidinobutyric acid 24818004.25 17451737.02 31256429.46 15746225.61 29891898.01 22906842.98 24652234.77 18273028.37 27868353.37 23038686.65 31221110.51 34833608.02 33997297.91 50923453.79 55962995.46 21506488.32 36566521.89 35511454.97 33240875.67 23231257.72 20296062.47 18201750.98 19138038.31 21094851.09 16749704.11 26243284.12 34706390.83 24222228.86 21980665.79 19762301.98 21067928.01 21441020.21 12240371.85 8536516.638 21562592.05 5650829.977 8191731.013 14689521.79 4828535.583 12067357.89 23378774.06 3462514.083 37385963.85 44775181.11 44243563.7 14548490.22 15981888.24 6021918.615 18942858.37 26830279.36 25996369.55 31158273.98 20937238.63 16098849.33 22157212.51 30269153.37 23028882.14 28635725.95 34044367.94 22238562.06 4-Hydroxybenzaldehyde 3624029.037 5229521.568 6982500.155 8555207.701 3909918.183 5120356.764 7362172.599 8081755.863 3652223.911 7670032.352 7877199.454 8671099.409 7424775.634 9507961.98 6480152.737 9388379.989 3444013.857 9388548.443 8918714.469 7446188.196 10068492.58 11500385.32 33671.13112 9534284.513 10322321.37 7983252.541 6939833.018 7393161.328 9762862.926 6745459.951 202252.59 206779.8092 15136.4671 13260.65288 175507.8726 12037.85633 4231.055702 29518.09796 15175.74417 33927.63462 40802.4045 21617.58146 360147.22 409303.2247 495427.8051 103203.0651 111390.3872 21546.91627 123816.3782 294189.9749 208991.2637 138922.4737 154820.5938 105258.3789 201838.7208 237577.9004 163166.0582 258727.8619 221001.3835 102492.1549 4-Phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one 3720267.26 3588811.712 4316133.303 5850388.978 6463037.759 4298381.152 4099052.601 3224381.208 5856500.451 5720219.606 3416711.88 3984518.67 5585520 7375227.46 6770803.183 3829916.706 5557506.055 4666992.949 3906572.602 11532092.68 8721683.745 10522691.93 12281870.33 9972317.134 5077047.96 5141169.166 4703180.699 5544199.94 3907868.871 5796318.05 2502658.426 1919786.115 2526774.856 3042026.159 2424553.656 2588731.411 2473160.032 1670214.36 2689564.48 3613055.236 3050161.938 1453092.392 2345756.056 5618844.915 2879537.602 3140997.678 2556669.174 5473545.211 3252584.333 3508950.325 3129660.315 4742187.777 3333950.589 3101229.165 4912397.298 4221762.179 2983060.491 4051187.108 4729716.109 3245833.109 4-Piperidinecarboxamide 3551670.297 3771541.346 3942667.177 4280748.654 3996765.295 4203102.362 4165743.556 6015140.864 5537139.947 3776048.84 3888182.854 4030389.976 3722534.63 4584970.007 4281600.757 4194822.426 4038994.44 4189612.423 4943955.169 3696968.778 4729378.905 4424281.46 4466803.537 4426315.549 4561851.07 4267991.445 3722245.764 4752800.269 4637266.065 4006177.796 2065762.405 1397946.846 1938903.987 1933082.953 1077520.175 1569588.235 1140770.229 1303064.632 1790296.369 1148867.276 1397846.094 1008648.903 2703978.029 975933.928 931020.4031 970794.2825 2061673.433 2184359.371 3221823.195 1090117.991 3163178.783 1095256.279 1220370.135 2006676.982 1253550.952 2111767.106 1268527.639 1138082.887 1171151.115 2156773.555 5-(2-Aminoethyl)-1H-imidazol-2-amine 343429366.7 21625415.75 376133828 24607843.71 398498043 109290608 343563756.1 233269279.7 473921092.5 19040273.97 563926749.3 432580685.3 75002666.99 449507428.7 186073959.6 147058925.5 561604522.1 616947629.2 242335611.1 56836529.67 34324326.28 34853312.73 31359697.92 47728953.42 75300192.64 176519068.5 231938086.9 149755058.8 182566141.9 175438755.4 5145517.103 8022465.255 1099909.724 6784060.772 7502878.638 11409482.63 5708327.225 11445503.62 6545934.043 6034042.968 10465146.67 5872596.423 5253308.655 7144222.879 7422017.975 9928845.935 3238819.055 7627480.93 5958574.711 3915276.336 6305499.217 5459147.479 5641054.327 7491218.857 5714894.597 10044212.49 5122505.439 8195437.09 8274683.14 7089854.836 5-(2-methoxyethylamino)-3H-1,3,4-thiadiazole-2-thione 28048461.68 9973958.817 25176056.47 11847588.1 24900459.53 25160921.43 31232178.26 18142709.82 22488193.37 10499124.94 28350896.57 21718640.83 23807109.06 17954064.73 17955649.94 28493387.07 27364388.5 25960226.49 14546837.44 12620822.88 7161885.712 6361757.677 11383172.16 10315263.29 10634362.7 3044553.175 3293354.152 4965850.833 12918724.06 6023687.822 809418.0672 898905.0609 552910.9646 541385.4432 779385.5797 515357.7367 458282.5754 886517.9499 355493.9349 499602.1082 996841.2719 432694.7415 1295432.29 1593224.496 1277684.248 555452.4454 915289.8317 787665.1466 382611.652 1020779.554 510560.3944 436615.9491 596774.5798 381067.7028 418148.3458 414062.4385 729651.1902 891050.9416 594226.0051 430581.944 5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-amine 4301049.284 1963174.103 3824770.805 3099273.5 5572530.492 4201248.357 5063436.477 3595751.549 4191058.549 1336318.983 4528080.142 4789649.574 3144980.303 4935192.349 3376899.164 4142992.024 5796155.896 6063232.515 2093256.109 1849105.857 722633.2113 2298624.842 1503633.563 1570057.209 1759834.346 2232777.043 2182377.573 2498112.779 1892220.158 2033168.435 1005331.555 1240065.468 992229.0063 1054367.781 1207466.216 1094052.958 1067131.829 1289481.956 533599.5167 1057251.939 885440.2966 882319.7717 869349.4301 863023.1421 710502.7243 768332.5914 960746.2742 1008838.603 806994.8057 785765.4458 638505.9172 959934.8432 750622.9177 724438.3145 993943.8772 1043174.798 1263811.264 1159141.446 808021.7893 764056.5611 5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid 3352153.294 850479.5219 2802865.353 1007834.506 2401644.077 2296262.973 2501661.776 2638215.315 3876371.822 935863.0945 2284594.838 3007640.176 4687185.172 5604205.941 5840937.63 1945341.993 2766568.679 2830651.896 11677998.47 2522311.532 2149175.485 3677031.362 1543099.429 1636167.188 3242361.417 4371436.315 4108661.399 3878987.305 8921484.122 3947519.676 720918.5378 662038.8738 418379.6568 307422.8401 514172.0299 364215.0229 253087.1227 650114.49 225498.1586 371983.2126 671419.1765 283382.8308 866834.2452 1064792.373 916118.3494 583346.1706 433323.3984 382033.5999 452326.0202 849758.9357 738762.8881 815040.3427 510397.4895 587591.4892 623235.3884 606758.3827 577666.7399 772716.4428 578095.9155 507001.2309 5,6,7,8-Tetrahydrothieno[2,3-b]quinolin-4-amine 9164478.738 2703866.222 6845090.688 5885879.204 7139655.109 6641061.776 6829367.826 7479347.751 24966266.25 1694386.041 8415003.893 11986075.27 7246627.871 14836376.9 7301869.429 4716635.272 7301994.821 8502378.654 13283090.74 5426409.25 1465919.227 5884796.665 4863885.817 4045753.551 3268347.43 11426926.19 12150273.29 8102659.76 11570351.64 6446639.003 8115877.493 8564114.501 6820728.261 5245959.485 7090932.418 4940663.886 5037052.915 10028994.12 3591697.018 7613306.319 9911051.724 3511345.263 10805317.66 11016703.09 10498083.5 5475570.278 7581839.477 6872343.52 4519888.933 13037021.12 6476312.338 5416171.954 5169637.416 4591696.994 6409027.492 5288873.84 4527528.097 8318590.473 4868784.146 4570398.314 5,6-Dihydrouridine 1565696.271 5298446.473 9129293.58 4502237.335 4009764.912 4971688.773 8511972.835 10851142.72 5490818.48 885660.002 6565276.543 5783056.514 10303623.98 4330436.188 4076810.999 7385116.885 5037799.259 6266140.414 11969646.06 7929375.064 6753496.426 7224622.327 4962434.683 10606115.31 10344705.1 10211326.02 7750639.312 6534245.652 9813498.159 5462405.835 16201324.56 13466758.9 13510558.12 24471770.05 13632997.22 17931453.23 10550901.42 21988874.63 8431719.447 17865596.15 15233697.56 13227464.32 9185477.11 10169140.11 9541403.984 10566908.31 17587668.09 15642135.65 15414891.3 10202848.46 14089130.8 14062517.13 17970305.27 14840625.81 10394766.08 10940751.57 10156715.73 8986583.08 9929096.335 10070001.29 5-Amino-1-methyl-2-piperidinone 1991700.783 1936637.087 2885064.044 1920241.694 2702324.175 3042885.96 3058730.686 2409599.31 3263563.058 1718417.376 2398000.813 3514541.204 1966481.189 2873313.662 2047040.411 1640971.766 3282224.591 2508516.221 2775232.594 2141503.418 2005239.078 2424966.153 2061718.247 1908943.621 3746324.419 4502569.582 4361143.69 3461233.479 3069305.793 1981584.131 1908575.307 2013374.411 403312.7868 1544576.522 2152637.426 955560.066 1233333.539 1157467.73 1362276.13 1166638.569 1908973.236 1835792.358 1899576.567 1737158.27 477712.1182 971129.9382 1072169.608 1392859.438 1228620.63 1619533.871 1621173.743 2072113.055 1396249.969 1197193.286 1581135.776 1793178.123 1723628 1586324.707 1374255.511 1459688.503 5-Aminopentanoic acid 5428966.386 7438950.288 20802621.85 10241383.92 16393336.76 3573992.534 6988512.431 9935414.689 10282271.62 7622737.026 4188235.404 51377366.58 21163285.67 9372546.719 9762269.116 4604439.755 4770015.523 5568602.091 24680281.3 2559623.949 4474758.499 2600046.512 2997114.18 1310034.19 33920429.59 1956969.372 650696.6451 831864.6287 4385931.586 2248940.509 8180759.496 7423995.345 9912124.454 9667683.641 5070786.874 6020774.533 3304723.834 4759081.668 32281.47862 30571.41027 4807229.214 11420153.07 5580537.019 8342023.355 13226878.4 4667200.356 6161676.654 4048107.867 5861615.713 6198283.089 3801299.255 4044831.235 3375413.265 3814796.034 7955973.498 4277032.596 3313467.889 4732621.069 3617912.135 40219.34559 5-Bromo-4-isopentylpyrimidine 2004145.483 347126.9058 2463098.221 707286.6838 2603894.093 1400707.316 1841265.555 2005070.783 2850447.202 278912.2222 1946789.756 2253376.549 1561097.111 3449080.303 1766012.417 1471596.45 2544811.635 2337157.451 2472623.41 609445.4653 251892.5133 955334.0988 560257.2816 554559.5035 786594.5156 1773401.743 1943645.288 1398002.468 1944833.103 1278965.888 2584367.12 2191592.717 1007404.634 1359820.886 1557057.443 901415.1517 936104.6451 1557451.756 768160.5569 1098554.295 801109.013 713202.4685 296919.4932 781139.0343 443238.026 787990.0311 851307.5507 566786.9055 1536454.24 854483.178 1463974.185 1322380.424 1343012.62 1055436.898 1369967.16 1499407.377 1434351.305 896759.0845 1077853.793 1136128.239 5-Hydroxyindole-3-acetic acid 15085154.64 4291860.078 15494747.05 4262452.128 16222857.19 15667146.44 14022269.69 12364860.2 11511593.49 1898976.612 14130278.51 13172488.86 10574575.44 12957241.12 23957315.68 12539547.09 20152003.68 17355787.04 26497056.45 4494421.47 4992187.169 6164746.528 2366171.395 8577724.992 11149623.37 18062473 12032667.84 11800926.45 16157134.01 15483101.66 793410.2322 517509.8912 476235.6356 487059.1734 455605.3898 615080.9984 319502.7668 614427.496 561670.568 707367.3943 610557.5193 338765.9924 563476.3005 402597.5577 461864.0888 456940.1988 426758.243 646615.3544 603185.2201 291545.4245 480006.6785 445905.392 343536.1039 711728.9798 1032928.901 706331.1781 487116.126 526316.3567 541847.9679 561139.6657 5-Methylcytidine 5268058.074 947990.5263 5322250.688 1248656.403 2360858.842 1091101.978 4681780.744 3300957.804 5175738.651 431062.4214 9682048.617 3510501.311 2252998.557 2609445.688 1939313.488 3118283.573 6853779.354 11787381.02 2014155.302 455793.3227 453626.9881 662840.9083 480148.9637 1065704.645 1278313.608 2424947.243 1931372.46 1646971.956 2164041.363 1982941.906 774170.3695 1117419.427 1139283.607 1154887.876 1171223.643 1392701.82 1049431.72 1004040.777 1334010.569 1586542.023 1733630.545 1108220.77 1360554.886 1240302.378 1174288.225 996939.3184 1632934.417 1471537.646 1172625.441 1162098.251 1284128.522 1157492.948 1494837.537 1136842.495 1182464.001 957518.7209 914278.9162 1175338.915 1141384.696 1240546.138 5-Methylisoxazol-3-amine 6024359.785 11626852.51 6213150.472 6588300.541 6540835.33 10182853.2 6519644.035 6278760.067 6242596.464 5716239.909 6610196.073 5743289.555 7914022.379 6256486.579 7165780.989 7186907.202 6326147.576 6771079.54 4963918.905 7535715.214 6745680.48 6712611.228 5950935.476 5896954.175 5210319.171 3760790.663 3440158.009 4014591.128 4681411.038 3793936.399 7884648.007 11806421.06 10904807.94 10415934.69 7882233.164 11354759.86 12313135.74 12700244.2 12930983.22 10404562.99 8384743.662 16149037.27 6066103.453 5384924.476 5429992.2 10790937.42 8799200.311 13700161.94 8024439.219 6348809.056 7418760.76 7357190.551 7877859.975 7426161.662 6420348.256 7693470.018 6227909.641 8373957.934 5885643.6 6232484.423 5-Nitro-N-(3-pyridinylmethyl)-2-furamide 12812862.9 28905136.67 19252090.56 24798381.75 13091905.02 15691246 18849676.24 24704216.72 17947178.28 33183481.28 16247551.77 12589833.94 28119696.39 22276369.55 27992344.82 23858338.7 13855472.33 16457587.23 18302670.66 58458107.57 85693328.93 75599976.38 89924123.57 79091519.79 63297393.75 27818569.93 26933799.84 40806701.04 34714006.79 49308440.03 47860719.13 45624782.98 50057947.71 43959703.06 44965255.53 45794391.28 46772788.04 43335260.92 49643662.62 46618715.25 49455346.2 42626827.75 70899407 60005603.25 59873196.01 61331419.81 51590038.7 50608642.81 44714732.18 57764399.45 57560811.82 60653199.04 54963925.34 45984277.01 45789840.78 49892478.13 56436439.11 49083446.58 56017760.25 52665415.31 5-Pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-N-[(tetrahydro-2H-pyran-4-yl)methyl]-4-(trifluoromethyl)- 2979662.237 2050364.105 4079764.438 2361247.379 5656298.159 4059875.536 4857087.67 3756953.093 6148570.903 1500033.452 3725090.853 4438015.706 2194286.562 4485057.608 2585729.639 3487435.842 4975064.223 7312543.557 1475299.907 2364141.68 1651774.486 1565570.735 971889.3284 1504602.513 1128067.361 1759524.027 1590124.482 1543665.928 1839401.537 1336465.074 1140774.459 615528.7444 398834.1752 822081.1665 278905.6943 851831.8504 388688.941 2721146.88 391175.6162 427325.2334 384895.5984 154182.8882 784410.8541 487603.5144 470554.0312 343439.7146 804825.1075 285926.3078 456359.7226 615620.8758 526137.2355 1008363.556 168101.6975 595777.8014 479847.2827 678826.1991 267497.1335 298257.3676 369942.7952 221715.7782 6-(Chloromethyl)-N2-(2-naphthyl)-1,3,5-triazine-2,4-diamine 19594018.74 6841906.682 15077290.32 8965035.747 11785441.55 12884759.36 17600906.17 16105843.83 16005812.84 5674776.41 17222989.33 13110166.79 20382906.76 21680656.07 16861148.81 13329396.09 15591184.55 16288327.63 22563287.05 12867039.18 9680139.31 13133422.9 10991986.4 12701192.18 14681158.3 20462807.74 21941920.36 18037623.9 24863470.54 17045317.88 0 26782.63693 101437.9707 170548.8383 23665.57085 123513.8823 141463.5888 0 116668.2472 44438.49579 105946.4723 92303.4788 41584.20333 101466.0989 87104.53818 34948.76035 97931.47248 18799.03945 0 22956.71905 3104.678689 17211.25697 4798.090226 7393.472294 12688.31462 26850.30226 10273.80291 31132.31731 21773.32801 6812.355868 6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine 1882362.765 3061386.85 2306166.01 4719927.56 2403917.923 2087363.854 2391097.01 2170299.84 1693918.069 1950564.793 1997764.394 2288465.503 2234138.072 2026524.254 2697241.374 2561634.561 2486123.603 2098587.197 2202222.185 2211601.147 1336099.644 2313232.666 2556209.137 2061208.519 1682847.556 571587.5628 1010890.456 1208625.172 1275008.759 1218698.369 2288082.969 1333351.79 3027904.95 2821181.648 1215284.642 1421448.608 1588245.466 2736193.781 2866529.998 2204728.988 2299891.682 1982367.36 995577.3302 2053423.649 1047496.961 1252138.442 2543049.895 2429012.428 1825686.387 1764430.104 943280.6604 2137873.676 1068211.468 1853154.11 2539321.087 2434774.86 2601717.297 2075552.981 2473601.122 2312314.668 6,7-dimethoxy-2,2-dimethyl-2h-1-benzopyran 8929160.683 1586430.699 9566797.164 2269987.172 8371821.552 6599403.218 7064421.864 7609058.118 11007349.31 815918.121 7186239.893 8854107.407 5400842.157 9256905.47 5854606.096 5463941.683 9148360.447 10695164.31 9587954.05 1594764.971 1187520.441 3365238.745 1529538.825 1699566.168 2550615.652 6691016.16 6716384.534 4875882.754 6619679.85 3963177.277 1959134.445 2079801.671 833651.4785 454053.9764 1982581.179 490756.3939 978314.1919 552291.5353 418228.0668 779746.9598 1648382.427 287991.5739 3458048.414 4246395.447 3923749.563 1214034.181 1104698.837 1105780.813 1269573.358 2541937.762 1664767.231 2101121.531 1606836.6 1774869.658 2748357.28 2432594.613 2598506.619 3842473.153 3292828.18 2133638.685 6.beta.-Naltrexol 254108.064 267807.9268 1080243.384 150331.3234 1162156.931 272910.482 336780.406 553036.6975 640336.3164 147600.8973 374582.0247 878181.1284 342313.8038 747486.4821 2068570.265 687512.2441 318993.2743 462605.3342 2887542.043 285311.9654 478810.1425 1609535.335 352057.6007 346635.6779 616273.3664 1627760.79 869752.2399 279298.0267 813390.438 1054719.554 23625745.45 5007931.162 51944804.13 52675122.29 841325.263 1599521.205 1208545.884 32011905.75 42958082.68 949728.1264 45623515.9 32635322.87 12043776.02 28067134.49 23021724.85 41689157.88 41058489.81 1141124.802 17228672.49 35079216.3 11597087.63 2440774.528 26288443.76 44866834.39 91953446.74 26793557.9 5751102.368 7288566.211 15378466.88 59895115.97 6-Acetylcodeine 2892695.644 687017.6157 4312856.011 1297196.705 5331954.309 2802277.888 3583901.291 3580790.971 4476449.42 346422.6212 2640791.569 3582013.433 3039473.628 5941750.974 3418460.579 3059657.614 6044200.868 3905981.605 4926353.221 1170393.208 480378.0924 3353775.942 619103.6084 1285431.114 2009645.67 4295636.148 3731948.738 4075968.348 3852012.201 4401493.258 1025210.516 1130337.198 797640.3433 817454.3157 86651.55882 503194.3833 727943.2045 1527699.526 135617.1534 519536.6929 478927.275 132318.3895 666743.4578 707617.4399 451070.3624 178293.7627 561936.4856 759515.6726 46175.73909 617834.2845 404422.4464 615948.2031 339899.6538 232289.2859 744856.4643 836837.9134 709968.7549 929977.9355 587006.5695 394826.4911 6-Aminonicotinic acid 621781.2875 947992.2521 598648.5936 2191333.484 5743069.849 2886778.653 1027138.725 2409011.338 833199.488 344286.1774 879429.6418 1138603.372 709214.2717 886831.4707 1708011.461 820968.8552 1571044.292 719089.8762 2249210.97 374664.6116 489748.0478 483507.0117 275465.0364 445094.4381 480264.5335 526033.6895 502760.1846 1059670.279 593956.6446 600183.1751 107739397.5 102729964.3 19071528.64 16705544.99 104754676.1 12326904.21 14133375.02 12601141.26 11549054.93 23924068.8 56025431.52 9445619.102 16811942.49 34142694.4 18304344.22 26807229.85 26811601.52 13331168.12 21594763.23 18117616.58 34238808.77 38329141.19 22384467.42 82151595.59 69870627.28 91838839.81 33146795.54 29653840.4 36910055.22 74896636.74 6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone 566069.7051 58619.56606 549619.5572 164903.5195 139300.2333 160824.1415 303807.6318 240138.1404 836476.4493 93183.36697 451006.8435 829974.522 251821.898 726493.0528 337754.077 342213.8895 911674.5971 815763.3072 458126.4962 45576.54106 15677.26637 86397.21762 87696.13255 93434.02211 68347.07096 166217.079 163794.3427 67019.34756 171688.3415 144818.7518 28842986.71 41560764.96 59009199.45 36592018.42 34874347.14 32733752.3 37088354.91 40619464.27 26997062.41 19573114.27 25356938.82 37561241.04 34042776.64 35301031.77 50112082.68 33889085.26 49763674.04 16930218.22 40278997.65 47358443.48 42684297.32 55138104.99 37832474.64 38506760.56 22131848.97 29405963.06 24649105.99 14972338.43 22764287.53 25559548.8 6-Benzylaminouracil 7045065.064 986049.3889 4975867.818 1816677.892 4089318.694 2002037.334 3630984.036 3142741.374 4274039.055 1156537.366 1776021.869 2219548.762 1743652.559 6064569.862 4820918.516 1320410.836 3088984.782 4776242.56 4087306.235 811661.8323 1292227.026 1741462.61 1478873.244 2944010.579 2277062.895 3038847.584 2736691.317 3021326.748 3464185.523 3042223.842 11220600.36 37508559.58 11626929.15 9630478.5 11822459.03 9789154.322 9705928.733 9331979.142 11755093.19 18704085.27 8432897.401 8654952.603 12017206.15 16125856.48 17893648.32 24139709.75 13427062.27 17985839.95 27576687.19 13455164.55 97699819.9 31839862.29 18251415.49 22017247.45 38227558.48 80788417.5 37624572.1 72614894.83 32354866.51 31570299.13 6-endo-Hydroxycineole 4915988.499 1721787.048 2689428.473 1354597.958 1156813.086 5348059.181 4213431.806 4978780.724 5112938.124 5552300.458 4851201.391 4804494.359 3718482.152 2469819.212 4523897.715 1730182.645 6417399.656 7157732.674 4972487.89 1746277.254 2882424.063 2189702.017 1003958.27 3516127.371 710703.7203 6157293.903 3489906.009 6873717.459 6031510.079 8388937.296 58688001.34 57796558.36 12942926.18 10116947.46 59926901.59 14932.37208 3618933.613 9558280.779 7129393.231 49827.23307 36907912.44 10566317.84 133752248.4 124396779.5 6352312.956 7284626.577 34253946.94 17548284.75 23015.59383 94278842.71 32915811.99 7590325.974 8869513.234 40398498.15 25848.83229 8938832.808 9842411.709 89937243.39 8521995.824 10461820.09 6-Hydrazino-3-pyridazinecarboxamide 250107962.4 51220597.63 237375426.1 56962389.96 256654947.2 219340289.9 241617641 211495432.4 233520997.9 45372030.71 215356662 278465753.1 150442551.4 212675722.1 210087299.3 151385483.4 289111385.4 276773871.5 230140818.4 60599015.91 75916180.66 51854837.39 47747944.79 70161131.31 104600230.7 133383546.9 136264206.4 122416793.1 178673999.1 145124332.4 14319712.14 13347794.75 11671386.94 12561404.6 14971052.37 12469477.29 11365862.6 13399962.7 11082678.54 12527463.48 13056894.43 11432032.17 14544126.31 13221594.3 13619006.34 11703049.16 13816196.29 11704552.82 12434728.69 13127698.38 12207052.39 13361429.35 11491468.93 11873119.31 12348321.4 13567152.7 12128292.08 14179190.45 12607878.56 12311029.49 6-Methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one 12252237.84 2723977.281 8205954.341 5220236.508 8750308.614 4882713.077 9607262.888 7260392.934 7154813.433 3007906.443 5105322.387 8128401.472 6747012.257 11923126.85 9584455.943 4077141.402 12051852.88 17071021.35 5896705.413 4713379.316 2965374.101 5299150.2 2573237.864 2828053.014 5231646.009 9563385.748 7377487.408 11214939.68 7270163.973 4464418.161 3779425.01 4671034.13 3252638.722 987724.9891 4483949.109 3304600.898 1275880.599 1621854.57 1687006.712 2417668.158 2051861.451 1524004.922 9039402.28 4177554.919 4317270.24 3358376.136 5835686.776 2808822.477 4185533.443 5627574.662 5360063.335 4655355.497 4115099.636 4139326.52 5170358.814 3694678.769 5049020.645 5558750.849 5961769.263 3848724.788 6-Methylnicotinamide 663895.4214 910064.1707 1316593.281 1040797.785 12304240.58 3710412.331 3002960.323 2042152.83 2117228.492 1212971.153 1863436.244 1650845.566 299868.5102 1821889.14 910317.0249 1526927.775 1189033.572 1647918.064 1494935.866 1083650.402 2012154.036 1690189.697 415376.5588 4523322.82 1740275.472 727762.2845 1050023.27 523567.2942 741333.3419 892119.0468 5237671.696 9265362.893 4780230.418 6159476.93 3503313.56 10107289.38 8934068.488 8300970.053 8683552.236 4699387.233 3905598.116 8810259.015 4112760.569 1211387.981 3198859.314 4732438.521 5731561.581 3837067.355 3653980.915 5103485.179 5075140.057 4888209.269 5522335.791 2382890.566 6048193.07 4610662.614 4365680.169 6100500.574 3549377.204 6065980.28 7-Amino-4-methylquinolin-2-ol 25696489.89 13351605.6 17292597.59 19722502.04 16494260.51 12232296.56 13545660.42 25307581.13 12562810.95 6570059.424 16660272.37 25867032.55 10544713.56 12776358.51 8258609.319 16449547.47 22161960.17 16755965 14924735.83 12992422.84 7088118.265 22100359.74 9734519.137 10911549.64 10470141.86 19332069 19207843.42 22324598.96 12454608.63 17817357.26 7341550.397 11950063.35 6298792.526 5125130.746 4611443.951 14685630.71 7137052.055 4549467.889 11564438.59 12598252.86 10676984.63 9455612.543 16682670.45 10994874.17 11519755.56 12208809.4 7462140.829 8321169.375 9802261.759 9057569.63 4357879.018 7008447.919 14568442.42 9011222.884 16121408.87 17605256 12561532.53 13487030.91 8053655.177 11605843.64 7H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,7-diamine 30375434.62 20949422.7 24086824.27 23833477.74 19794257.7 28802222.56 21475235.59 21463070.99 21403949.69 13059737.68 18116982.65 30768723.81 28545891.33 27897744.65 24410688.81 20687856.36 21825970.63 20775378.67 23505095.97 15914025.87 17011284.57 21125860.16 15561484.71 15160254.2 19126324.85 23994542.63 24461964.54 22949849.47 21080466.71 18794031.45 3552332.202 4098719.014 1968621.121 1729928.39 3179660.082 2811839.953 1413016.531 18521550.16 1830025.906 2080201.12 5918690.057 2942627.862 7778723.418 5728714.963 6297957.718 5246178.119 5146486.124 2434313.012 3281694.238 6750496.741 4088982.063 4489569.094 4351127.278 2749607.809 3227685.611 2917600.376 3399449.473 3909019.862 3350053.926 3254915.936 7-Hydroxy-2-acetylaminofluorene 27635643.26 4871341.385 30260887.83 6218412.449 17618166.66 18909901.55 24533277.77 30057759.42 34708251.33 3833736.63 21799347.83 24710223.61 20220050.18 22049120.18 19273897.65 18131805.32 22101156.49 34171721.83 32741471.61 8335018.341 8907364.803 11273179.25 9058452.976 7092645.298 15098146.64 23208937.64 20124587.08 16836798.5 24149282.05 14562752.1 10821849.55 11349807.29 7341029.36 8293463.611 9402201.458 12530862.21 9958591.659 8505870.37 7963505.071 12399228.61 10054141.31 7774662.358 9495052.054 8854554.747 9387739.349 8621826.289 11848748.56 11940881.21 8896082.068 13003647.32 11275356.47 11062401.5 9490423.668 8714850.346 11388146.83 10076459.76 8461511.362 8955838.499 7746818.385 9144407.496 7-Hydroxy-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one 2338958.892 1199774.588 4904927.705 1473893.333 1380002.774 3218035.196 1373703.887 4921744.997 2002374.146 2264757.791 3831966.844 1539335.687 7558369.074 2071488.279 4683018.143 89412546.38 2181125.715 78693579.29 4614708.875 2516436.605 2704360.594 5049445.697 4163267.877 3422539.825 5163810.551 8791549.678 5254583.04 1514422.994 4895481.541 3485605.743 173558.1838 215643.6314 117482.2096 127635.2684 264958.9325 152531.6837 179223.2915 40919.75348 329748.4057 296816.5754 248380.1025 162412.3417 380488.0628 157324.7421 376791.7326 342787.1422 253137.1673 214490.4628 1066308.994 366114.3999 942879.6204 738686.5184 530959.9023 753172.1849 509217.5805 581683.0204 593001.7575 214287.6988 527348.727 894460.4443 7-Keto-8-aminopelargonic acid 3838822.191 4764044.351 4506702.885 3600640.934 2409627.97 6681300.783 4972918.472 3719897.871 6007021.978 1727568.339 5879098.406 5318293.888 3478415.001 3117594.828 3232305.182 3890078.162 5004682.822 8424326.485 5397417.509 2000722.32 3852455.426 628270.7133 1067005.356 2065401.944 2494072.521 1775428.48 1123305.396 1119154.829 3903236.565 2760370.759 18122561.29 13705276.49 8598680.233 20018673.18 9893551.065 24055071.1 9721947.113 32775928.19 7306556.545 9493792.359 7014501 12337793.65 2530823.985 2018950.239 1345176.961 10157932.45 13132535.14 8771298.298 3410712.576 2537947.399 5420543.837 5622332.955 4431772.112 4007279.881 2922373.935 2969322.614 3126968.939 2483824.873 2279834.167 2525220.188 7-Methylguanine 61273913.22 10845795.14 48920158.29 14797273.82 24486221.16 27455307.84 35347516.89 31335795.75 35693588.67 5126258.251 29160074.39 63748542.95 14175261.05 19248676.32 13550299.57 26488823.03 40529703.6 78016211.37 20825073.1 6083604.935 13362652.28 7203587.389 5828075.196 7150610.779 14515963.29 22660887.25 25790513.45 23745767.32 16844405.14 20102345.38 22954405.36 17475407.95 10296784.88 11413486.67 15006655.86 13765430.05 7757228.907 31090895.63 8885669.808 10950976.13 12441326.17 10891799.02 8243898.821 7840638.614 7905820.14 9263411.773 12524444.74 9450800.47 9217096.55 6932438.138 8922823.19 7969025.258 7417368.199 7723690.083 7335218.344 7816633.188 6374212.62 6448948.01 7179292.135 6976259.675 8,11-Tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ester, (8Z,11Z)- 2643663.042 948542.7604 1580470.216 1553944.421 1183662.496 795029.8651 2419972.691 972552.846 1302971.547 517099.9619 456624.8645 1231524.088 486140.8674 1314046.959 441716.131 978317.6147 1006201.19 1743824.278 921892.9825 804432.6737 477214.2199 888419.5977 668336.3388 209517.6882 306830.6439 860043.4969 820306.7773 934568.463 228738.082 573033.7673 936582.5895 1025270.521 1952035.566 2064906.264 1123966.013 1254963.023 1327858.311 1793983.735 650051.3 509569.8351 367224.7423 2123595.476 924034.3871 759701.9138 1045043.873 1205127.817 1071037.596 746767.7979 847686.7691 693595.0077 926984.2613 1317827.653 1770796.355 945609.5692 1022435.918 882007.6801 1010204.979 687217.6808 951459.1754 749964.1847 8-Isobutanoylneosolaniol 342261.8701 303559.1023 897428.6688 171481.4712 816008.6635 840101.161 331248.4851 1496225.461 874210.9821 613021.1238 638010.654 1074206.838 258004.5158 185990.6156 2500674.965 956994.32 797713.0923 291414.5543 1206163.941 410441.8762 1413200.988 1012928.337 396286.3388 900422.9164 1456613.223 1739096.042 3774777.127 731281.9757 2963578.022 2103470.998 1750227.255 3047629.925 4132261.068 4419344.055 744667.5594 1232889.076 3164209.774 2210532.927 2672187.513 1923670.669 3271450.459 2783965.485 983691.8909 2169222.997 1618563.056 3050595.902 3276775.246 1976573.616 1025330.208 2607706.513 616046.2131 834000.116 2109276.016 3116572.847 6568836.72 2101623.484 1046305.145 4455981.78 1143898.219 3981875.93 8-Methylquinolin-2(1H)-one 248354887.7 16111240.76 126245453.9 16390699.23 8091479.741 10161176.69 40164961.96 236453549.9 25053192.52 428137.9504 66718643.26 81046855.23 11305298.03 1000618.256 1787710.561 117377423 76921343.93 38450677.74 59532944.69 3684473.747 1225453.318 6427666.493 669812.3614 5078062.123 16668797.44 32707371.42 23033991.5 32798062.39 46911934.89 9907132.562 9514274.964 8551786.348 2688986.91 1240405.848 9515530.032 1427057.588 438548.9465 3225783.889 1710720.427 1244874.596 3432752.215 1358560.123 21782532.98 14793469.39 18649731.28 9267741.221 9047585.685 9522532.138 13242792.8 16371497.14 20179428.46 19100079.82 14303780.61 20212762.53 15871162.16 13585333.81 11019653.63 9884782.017 11065678.95 10964483.24 9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2H)-dione 4561963.321 3853948.768 5346457.199 4211408.549 3348640.868 6710251.789 5461220.531 4784435.464 4396623.519 1199041.209 4172619.863 4558370.759 2550181.967 2773498.114 1382594.117 3621826.608 6119758.572 5192918.414 2471327.474 1258158.215 980515.0622 2128929.264 1233152.906 1150393.582 1850409.485 1649306.469 1595343.228 1913201.599 1331180.616 1667316.325 1252144.478 1322513.673 1717223.999 1801531.911 1151998.689 882854.9872 1477858.989 694694.1894 893400.2696 823129.7577 760950.095 1799483.836 954095.3406 1629099.986 1255084.455 863945.4552 960128.0996 955394.9591 560448.8911 1105801.829 633879.5285 715171.0552 692950.0516 539847.709 1006640.415 1087065.254 1052512.768 1575142.539 1138299.509 683408.6662 9Z,11E,13E-Octadecatrienoic acid 2125710.898 2829721.561 2766744.164 2600300.266 1946021.823 2825988.392 1734988.297 2853355.22 927208.7636 1002523.983 1471325.421 1896732.364 1820811.493 1598077.569 2860921.254 2161118.783 1243893.162 1546155.432 4129016.811 1941058.066 5083467.459 1691726.138 828271.0252 4635489.84 4399996.084 5346680.118 1863853.58 3032560.521 3381222.105 1252823.353 1783039.007 1940834.063 1919993.477 424663.6023 1945223.652 1878020.109 233522.5487 306009.1765 1644298.5 2207843.421 236588.5729 505214.8712 749527.4492 1733298.347 679925.1213 246870.8478 1844860.597 1767624.331 1720996.477 1948571.801 2011648.069 459630.4677 1852029.367 1805067.925 2043237.27 1983145.832 401854.6778 1883074.746 1955766.115 1979394.198 Acetildenafil 6787494.568 10252280.36 12752346.33 26473175.12 47544991.23 40344236.82 11801852.78 31944278.29 8877552.068 7746426.967 3164474.229 30694323.21 24228243.82 42711647.15 27362859.08 8241750.655 15563954.5 10106819.07 26741874.76 13365314.43 6020520.363 4902215.582 5946913.063 2534502.507 35544536.54 3001855.333 3005784.304 3063823.538 32053149.26 4948846.93 1067417.517 697400.1121 1862481.016 920457.3907 567617.3546 1038214.269 1211923.95 924310.8169 1027006.144 1057616.351 657826.7014 434776.0677 837278.1234 428138.6047 988113.9232 1053575.504 1259635.963 927561.7804 528102.5029 557788.3541 637317.9014 631694.3679 266401.9316 274597.7541 606018.2746 456481.0419 858391.3584 262416.9683 1162286.992 598328.6227 Acetoin 3425197.927 1493618.937 3440388.742 1484653.002 3158857.001 4054656.782 3662500.555 4455649.883 3760262.862 821240.7611 3817024.182 4822221.624 2376274.749 2652871.739 4296415.831 2074113.933 4476674.069 3845892.649 3833167.119 1012154.729 1874627.314 1968260.612 786574.1191 1735570.691 1407139.169 3136525.805 3358478.546 3470556.031 4516402.555 4346232.937 5232298.951 7616360.938 6577185.017 5872663.205 5374345.844 6705249.974 4598101.996 4896569.481 5625976.347 6202727.707 7381277.891 5748392.445 6027116.849 4485771.732 5155951.204 5120066.179 3905614.441 5739898.375 7883159.088 5274699.737 6377320.975 6044082.151 5889316.431 3634460.603 6131576.072 6201035.759 5774713.391 4725926.861 5662812.369 6179539.536 Acetophenazine 324448.9276 301605.2468 152030.6754 176052.8283 166763.0133 304222.3821 131651.1038 556748.5463 141154.1486 264076.9013 318618.0209 497436.2996 182415.0956 414912.2746 202311.5343 136960.0986 94701.80163 473300.6515 588439.838 71702.41416 213390.8233 668796.9294 67697.96079 136838.6198 612977.711 122298.5891 127807.43 159606.8755 189485.1795 81194.37717 231493.9903 134262.5222 65752.51186 153938.7335 142001.0914 61200.74779 228465.2147 520251.0004 168479.6554 184175.9458 233918.7595 225628.6918 257669.9204 671683.3715 801380.8614 166851.5425 232743.2249 77633.98261 124348.492 181657.9802 112480.3612 234626.5083 125604.7002 179778.5647 152275.2307 269378.2747 229090.2231 219616.823 217420.0214 127799.8992 Acetylcarnitine (Car(2:0)) 11916570.62 6113784.162 11457953.29 7308633.402 9155706.785 6607055.743 10124312.8 8921960.893 9117257.483 4286437.329 9849880.246 10837949.89 7629695.552 6040798.448 4034033.345 7554696.763 10627923.01 15523971.53 11575804 5479999.252 4426064.232 6105186.332 5428150.037 3619800.265 5469666.315 7542367.476 9454293.354 6507817.568 8862607.407 4659170.075 211422228.4 203119156.8 243439657.8 293747015 152240771.6 449610453.5 393618166 124842014.7 261074927.7 238844244.4 194552742.2 265888661 209011698 190271543.7 176712774.6 315645998.9 328875925.7 270221813.1 204074884.2 260386647.4 303624173.4 239556367.1 249977590.2 206034099.3 313615994.8 193498582.1 205145992.7 200801539.5 198980982 329956567.4 Adenine 13209941.53 11929127.78 25665175.94 13816423.31 230510827.4 35938796.66 30951772.75 30437786.96 27923489.5 10561246.22 9279279.921 13829920.76 67533520.6 44197679.74 205822541.6 15573375.42 27509061.84 18517439.25 102707828.9 9566098.433 24617592.45 13309750.85 8064191.873 20583188.78 16213635.26 11657850.99 9119796.448 6766625.915 18691677.08 10792935.47 1741418.29 1126211.364 1585003.582 1412109.052 1595457.758 1431895.01 1362551.738 1941131.439 1791956.787 1514301.782 1372710.96 1152332.855 622614.7262 575507.1579 1495897.016 1430206.523 1414886.055 1570493.73 2294725.698 1745774.378 956544.6357 977973.3363 1125729.02 1724744.729 873974.8508 1348193.47 945962.5251 1277151.801 1785090.254 1601831.509 Adenosine 370254051.6 60318939.63 502944297.2 35073551.32 69387357.7 168764264.9 254560534.2 458479530.4 207120266.2 172535197.7 295332845.1 254013071.1 1262473812 83010749.32 426700004.3 156333273.5 80002959.36 48884209.76 996175349.7 251984732.3 376184165.3 202430350.1 197385185.3 267440902.1 435397449.8 800978274.2 108518954 130887715.8 614507667.9 235860049.2 1440223.545 2976264.565 2531815.585 2176930.799 2488847.817 1712143.165 2828895.878 1590820.447 2560671.566 2111665.538 3015871.224 3650188.088 1039146.983 1919352.523 1761354.378 2628178.225 2023056.063 1645452.269 1685235.677 1593602.76 1448032.474 1587302.531 2333589.664 2554227.714 4055205.781 2836243.346 3291396.788 2874192.117 1610413.532 2139796.729 Adenosine dialdehyde 800282.9555 592040.0205 3015226.305 181598.8341 37495.74394 118091.6504 614940.6645 790833.0974 1266663.877 574854.8778 381569.6917 315605.5562 980455.9898 780274.2298 32032.13806 291653.8641 135634.3988 594159.3845 3335845.606 1982036.178 428280.3915 1017074.602 265600.1073 1380472.622 587919.6162 1024279.139 2252506.022 420590.8907 798381.9852 418676.7456 203096.7989 118224.2733 65664.25253 96452.76172 98056.61076 73964.13911 55435.68066 173224.9648 44624.86517 66516.62766 62331.02402 42896.95682 46302.99626 67624.07617 70955.92139 42731.09243 20225.63861 28069.22621 63640.48478 67364.66203 50905.28295 105856.118 38794.85647 20654.59973 34356.03103 33358.19439 40502.41875 33845.61522 21084.96863 32747.95585 Alanine 62056807 51884151.55 79034740.59 56149465.24 115096836.5 98626453.62 75353066.14 70242558.48 144426969 53838237.44 90494374.81 107754031.9 126735829.2 151267952 142100260.1 70764663.37 106333764.6 118838558.4 144549652.2 84812785.86 90260674.02 109438838.3 61304208.33 63371873.03 66613919.1 192036783.3 131543709.8 129210035.5 166392181.3 56930492.53 9905533.667 9268053.192 6574752.3 6749926.02 8365963.443 7020237.5 6887334.263 10353098.45 6815344.437 6792465.021 8370461.595 6118639.597 9414366.024 9084108.668 20345336.72 6326624.566 8881717.475 7409068.46 6892713.055 10114639.08 7275211.955 8428857.861 7660549.747 6638522.815 8093006.177 8241305.122 7404026.992 9392155.591 8405310.105 7137696.699 Ala-Val 19927262.42 2119168.566 10374082.95 1954549.261 4252601.616 2339417.327 4733317.412 5511464.04 6665529.289 3085722.945 5032449.806 8835651.406 5616609.127 3073050.309 22468917.76 8492081.799 17243514.78 2784314.414 14072798.72 9291381.627 4268570.178 7016202.979 3054914.709 6430474.335 13601144.54 20914298.21 19557158.63 16290566.36 13976604.18 13340249.12 7775023.529 644501.6149 1788232.117 329449.8177 660974.7506 383219.7471 429496.464 397893.8564 1099939.114 631161.8379 342904.5539 1169614.115 1139162.309 1057316.181 948295.068 260705.4613 274158.7016 387034.3596 751584.1109 887814.2019 909246.7684 848056.4464 599637.8784 3014450.58 811145.7722 688471.0955 4071930.514 1042341.242 786636.1809 631691.8528 Allopurinol 470442.22 1812178.034 633422.2101 1601562.246 1047883.86 1520436.119 1054337.098 838151.0878 778256.2972 1796181.013 942422.128 669921.7277 1262660.103 882337.6891 617583.0413 449530.1924 16556.16143 1002205.434 1167753.183 1668495.554 1117598.858 2484003.243 1776735.664 1599653.607 467342.7616 2479631.531 3459290.679 1687127.652 1500866.865 4433661.139 3379729.771 11267924 3017053.941 3607645.986 4329206.3 2983657.57 2955187.024 1824584.052 3772131.953 20810518.47 13982285.17 3243156.095 5858926.152 6089988.967 6620757.982 15330779.25 12258396.83 2593754.349 3609009.628 4134785.802 3768229.515 3424011.314 4934877.157 4903239.127 3607470.928 3314952.301 3872919.756 11156417.45 4410784.006 3361468.255 Aminofructose_6-phosphate 13474682.16 2947044.695 29187259.91 3949781.511 56712344.73 19196846.74 13795873.91 17712005.44 12033826.85 1172038.623 9531900.984 15395738.23 7283656.202 9224674.725 19076548.43 13437364.09 8353295.803 16298691.48 16637739.22 2148852.95 2328503.159 3853027.44 1596561.187 3518327.251 9707861.547 17895240.13 8075411.76 5755981.139 11951982.65 11266115.37 3237720.106 3175572.911 4234137.971 3688802.54 3452333.959 5414273.875 2203927.167 7295998.01 3322282.623 3093104.11 3734959.64 3811811.825 2770982.096 3019477.741 2402388.716 2311459.402 5395193.411 3744628.291 1191800.848 3873770.621 1981227.082 1766656.772 1678970.362 1325500.714 1889958.823 569255.8887 1153709.087 1688233.655 1864467.396 1248972.503 Amobarbital 6009861.039 675017.7363 1326530.568 1026065.931 8200667.552 315698.4015 5332748.866 380396.0558 1429649.272 241008.4221 3702205.607 6184320.885 2110160.086 3222229.606 5412030.353 6426795.821 199999.177 247439.6594 9794963.223 708905.1463 929354.5906 1912412.772 3588601.756 1490932.213 2384740.227 3858626.609 1773798.519 3724014.146 4016530.788 2468267.606 500664.7987 347723.0043 243039.898 242339.5713 298704.7767 286007.1697 269441.9537 549491.5885 239402.4125 254733.1044 319407.0447 220693.0335 263631.1955 310814.5809 261183.7924 262628.3295 314274.6145 280813.4626 198792.4047 232604.4967 212597.4061 236678.4861 197612.9763 184545.7252 247236.7589 176194.6674 234805.0918 185373.9854 206732.2818 190042.9761 Anserine 10820058.89 1876306.907 6917735.641 2478705.405 8253481.147 7032623.314 6006809.003 7668517.329 6082019.044 742123.0329 6471856.968 13269390.87 3024326.848 6924002.552 7259786.167 2597213.965 13899293.83 5852074.466 7637001.401 943829.7505 2127543.203 3496197.922 1981242.806 1664411.266 4383892.221 12774942.55 12580219.68 21250270.57 9683150.06 8101001.547 29021076.9 26873958.04 16504532.09 18699266.27 21690069.21 18998149.32 36316367.57 23682710.09 21907985.83 17419380.13 21517448.04 24362866.66 20380167.25 14876202.18 11691425.82 12088202.65 103700864.2 19399532.61 14269940.01 12404006.85 12568935.79 16585304.11 36409143.29 10370710.7 40054676.02 88700141.68 133659624.1 15766647.15 71410812.82 40087183.24 Apocholic acid 188655.0202 187492.557 411352.3144 81871.38101 6754222.462 10404706.32 689694.1632 531981.9291 512731.8192 23005.55709 354361.7604 608795.3889 106808.6431 97594.55449 504094.7338 800753.5549 151853.9221 303263.3143 524884.1176 127664.3 2019408.291 287338.1258 369748.9888 222878.6031 633647.9386 1489279.509 144714.3352 163842.5651 5090839.343 565381.6078 228692.3952 518908.8832 566736.8302 289854.3279 325062.8743 189368.4319 172977.0001 4526049.552 211083.1061 246998.7615 504118.6773 188490.0701 1210765.244 1176912.634 2710682.081 616073.3656 895212.8317 1327057.394 499271.0464 565438.177 1330145.019 1766079.4 525157.7498 400398.5218 57548.70317 74973.2147 88407.1703 366518.6348 87763.28299 50077.68948 Arachidonoylcarnitine (Car(20:4)) 473607137.8 72459427.58 252806194.4 63591715.04 249650957.9 283619637 291761206.2 249215259.7 209617861.3 21439853.99 299581464.7 330653986.8 104714105.4 119151302.4 59599785.82 446322558.4 248128844.9 350293159.2 234732167.7 73598273.76 106441102.9 168723222.9 93338774.98 112543190.1 160548632.5 292252423.1 331943716 273298596.7 248172098.2 163559696.1 25784527.95 41110703.37 42162556.51 44938766.21 26155854.02 56586787.26 47471789.36 50562510.23 36430916.03 16872970.93 17988516.18 91399404.57 23697490.93 18085714.89 23847821.95 33113913.77 41680563.59 30203903.22 16228216.65 21698187.61 29160169.56 18316209.1 33371542.87 22291060.94 18527109.13 15093071.49 20142447.04 13676498.64 16081581.2 21337059.92 Arachidyl_carnitine 34899694.52 6530654.354 38488968.56 7916689.025 40364371.01 50021998.5 55828858.63 36898313.74 38594817.32 7494745.905 30927573.31 50937074.19 25705177.86 21332784.29 12300448.43 39751966.87 43524732.32 45158642.66 22424588.43 5818352.23 12935113 12316940.6 13667692.4 12715269.31 13730548.59 16811171.33 23426457.26 12809925.08 19417988.01 15412273.97 2069980.275 1722922.152 1429358.267 2057711.095 1497586.164 3126167.91 3496473.625 1444114.951 2818161.172 1811601.775 1991819.765 4130364.555 1453168.325 1580077.982 1907321.19 1885035.826 2812111.059 2893975.317 1417130.362 1589612.412 1094969.571 1217284.99 1218682.064 1918624.801 1205107.459 938120.5107 519810.6287 690338.6367 1982042.969 1147442.939 arborinine 18242115.68 18812343.24 22957806.42 20512743.26 16782493.8 23656315.25 19989024.15 28344668.52 16642389.83 18289098.72 25011225.04 12634790.07 46827601.09 15649556.57 28192722.62 23593815.82 11984263.74 13854923.72 31658928.35 22155526.51 25665892.9 42789566.69 28712403.87 35820266.55 48586388.26 61175068.54 62040854.87 95922736.97 64354230.19 43993491.32 215373.9992 202724.8077 176636.863 177279.762 165956.604 331646.0919 124272.7635 222348.8536 121542.6068 122643.6081 87782.05166 221144.489 150775.1477 139161.9415 150214.0084 200929.8153 214469.9511 201890.376 82585.15471 133976.8391 125990.811 122095.0648 131195.6237 91307.60162 102981.4578 73227.46742 79939.47674 111464.4929 87501.28042 73895.84768 Arg-Ala 47625944.19 12038934.94 67641448.55 10768137.7 24866954.05 13929605.52 33679786.79 51142329.67 31152565.21 15460024.63 45088895.66 50322375.52 25671727.55 26114449.74 46746887.68 60638370.26 34837630.25 24057473.85 100787592.5 41708175.82 55676050.36 87681348.33 25471537.06 84932620.08 26835830.2 32962437.82 11091602.46 10993087.63 36566890.04 34547333.12 801942.1844 1622070.241 698142.7952 1754090.297 1129753.254 2281361.022 1231168.665 2602545.96 1377333.21 996295.9281 2196926.295 1767089.886 352300.1338 431618.9632 531592.143 884763.2204 2095363.796 1310212.033 250934.4801 364509.9139 288183.9051 346602.6361 312245.313 319786.7656 331709.4991 369734.7871 275135.8564 423429.9993 371690.1373 177312.2565 Arginine 2498329710 602870871.1 2136859884 1144117223 2447679007 946472664 1732894424 1440476004 2874959514 560598530 2041849975 2421093197 1110841588 2791209161 1861891972 1004810595 3446552544 2764650138 1828554953 681966403.9 300403203.3 637980242.9 940475353.2 538130355.3 528536598.5 1604216362 1271812749 1139162033 1316937499 978361258.4 677254562.8 1537693963 644347765.5 1108120429 1256547332 1451415165 944621197.1 610744556.6 984033902.2 607762180.8 1872681529 1032212936 1560537319 1613316770 1624453017 1525987989 1738444283 743344292.6 1021118935 838982987.6 1154388369 1402688761 1017795228 1241578559 1437711418 1518435117 1365108855 1886034764 1481148533 1218648139 Argininic_acid 58486393.19 10915245.48 56987344.9 16976940.12 130296878 160079597.5 42711747.47 40647358.9 28424378.24 5346922.558 41146622.3 32671680.03 36177610.2 29789857.97 37631194.06 56607521.25 32038654.66 40904161.08 69071821.43 12383484.29 17615645.69 13083318.2 10236897.73 10864574.97 15474530.84 19976982.86 15783721.22 15561515.38 35023703.19 10322341.94 51217002.7 44995928.98 17604519.3 10814495.94 49629198.88 5083447.216 8531636.756 31206384.64 5268595.215 26312059.25 48309312.47 5342181.803 83291160.38 82675298.51 71443023.53 16628927.58 21263911.1 47371782.42 61935262.98 85678170.63 61012400.99 68415237.89 39175449.46 62435031.06 60939967.74 56149570.86 52514347.17 89605305.96 58142785.51 42556886.38 Arg-Pro 4971940.627 580239.9304 7963941.112 824480.7872 4092720.693 2380818.936 3330219.101 6015978.546 6011005.117 458710.6751 3335103.177 4836757.82 3268475.066 3667022.69 36109939.55 2567276.178 3753370.114 3494746.598 16002895.94 812581.8092 1067285.385 6705971.121 2003198.416 2925922.117 3510741.385 7318946.735 5164651.8 3588453.944 8497773.618 4245842.824 674610.8259 1835398.823 627863.228 2142385.243 909667.9984 2053061.023 1242482.602 1731937.447 946381.9123 1215545.275 1915102.917 2528933.564 306805.8485 455935.1546 482487.1801 1330512.916 1973058.091 581659.6502 285222.3504 332755.6721 236065.1309 263862.6403 247203.2948 276305.5517 290718.6694 251036.5104 347035.5738 303462.8517 257220.7867 199584.3446 Aspartate 13486244.14 5301092.268 22598580.46 6123460.956 13885243.22 6674646.709 20719936.99 24023510.76 35789355.04 5113644.6 18569069.87 12047484.64 11240816.59 23567046.32 15428626.23 12600088.87 19451458.38 41938786.97 49541943.86 10896319.06 11144990.55 16409022.55 10444394.18 11372549.95 11762081.36 27822473.7 21021598.59 14114353.97 28821354.89 14571668.27 2599268.179 2036963.573 1948934.874 1441683.693 2706524.797 1235821.82 1391762.155 4203606.418 876977.5536 1071002.975 2548903.395 943435.6599 2332281.678 3748863.883 2745958.905 1277313.73 2209240.282 2277204.388 926467.1305 5181956.829 1074328.399 1227059.47 1695453.075 1081062.565 1123745.379 1212118.447 1714014.894 2024868.311 1380142.67 1086296.673 Beclomethasone 513632.6187 307802.1557 933924.1737 190121.7139 913438.0462 1003998.053 260616.1611 1425240.621 780317.2556 604472.7253 695235.305 1048491.489 352224.2142 246924.6127 2643842.601 941753.4155 1206749.929 426492.4105 1535429.755 543669.4082 1343118.358 1073391.375 347940.4714 721647.7604 1366629.454 1726848.062 3826284.22 769060.3435 3844134.908 2440705.118 1464120.856 2854952.675 3430723.081 3838756.056 975655.4015 1378032.684 3257801.331 2167814.498 2740489.424 2380684.875 3630857.319 2143508.498 870927.2294 1819328.997 1578313.677 2677618.903 2744613.299 1915534.675 966925.2168 2808599.29 665835.9924 810495.6678 1879318.541 2933127.676 6585190.011 1683055.04 1759600.988 4571825.61 1119713.426 3937878.58 Benzeneacetamide, 4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz[f]isoindol-2-yl)-N-(phenylsulfonyl)- 0 0 790856.4229 0 131653.1554 116130.8984 318732.8596 3058506.609 2962173.398 55536.29006 333038.4733 121583.3106 1104350.84 4702372.702 4207103.586 0 228147.9962 714317.716 3571754.644 2649553.856 5345671.907 2994993.509 3736725.524 4885114.028 4516969.321 3518183.14 3135906.48 5452055.616 5257302.716 6135596.886 636603.6269 541878.5627 799521.754 662676.1396 713062.9099 792937.4489 669046.4296 463626.0312 962921.1332 664109.9862 1172823.966 517032.8391 2076844.346 1792731.436 1621157.231 1173593.989 1062148.964 700043.9716 834468.3844 1538638.437 1591675.77 1523998.194 1442881.159 531313.8846 1011027.913 1023142.389 1398828.193 1249366.445 1386538.289 1201853.73 Benzoylcarnitine (Car(7:4)) 132014.1059 966972.405 118064.246 29985.25819 80200.11878 162300.4901 149050.4913 149503.6566 490774.8878 81301.35666 126867.7957 3393766.66 1529075.76 2447731.862 2731114.553 2658311.039 199774.7129 138326.699 4573511.701 801754.8272 591617.0769 810439.9699 426362.8397 634818.1162 1447591.882 2805767.776 2998949.778 2091841.119 3625863.197 1480817.269 1042968.545 1419328.011 101231.772 112024.825 1143435.01 127949.8773 104075.075 133213.8291 88032.34068 229454.2284 231520.4214 45271.49262 1648541.455 1590861.511 2030322.339 428841.6985 501245.4517 116863.2587 864238.1665 2377326.718 19320.01892 1715175.529 612096.1339 1004368.117 1319492.609 1246657.159 1130746.903 1624422.803 1402784.273 1119475.949 Benztropine 748296.4709 444833.4813 2532138.712 349464.1315 260421.6456 209463.2125 733901.186 926361.9952 979291.0087 271991.6554 1132333.009 1399922.612 409128.386 577154.0695 759196.163 1054941.352 520625.7389 401098.3542 5046362.758 459665.8846 361382.5428 2192500.962 309855.1214 1349302.001 335476.0607 595049.8606 155435.0422 118695.3041 556045.6855 276928.6529 258040.7183 177207.6495 138254.2845 58203.87028 207566.9134 3987.126857 100067.7618 117684.5996 44987.07198 106794.1912 358212.3845 15536.86424 333507.7032 402421.0784 334302.5227 135730.0752 91612.8543 257550.8032 192330.7818 293192.5655 220518.0369 182709.05 134596.3168 146459.1293 307782.3188 187404.064 209099.4981 337953.4475 308161.2804 165792.1492 Benzyldimethyltetradecylammonium cation 163623223.9 423425.518 749357.566 24928438.99 149315353 147333.8764 236298668 24697473.27 126258345.6 2351017.527 165934100.8 178547.4395 674160.6091 16830176.8 2330288.046 2969166.104 68023885.8 592301.1841 35477995.01 448331.754 420783.1065 1245038.482 456237.489 2427439.649 4735632.708 1602753.015 1626368.339 2182955.784 1538405.21 3045786.315 3320760.418 1078732.109 2985894.006 1173020.341 3207142.75 9269193.979 37167158.66 7583109.657 9159638.732 31681535.03 44650528.96 2619134.754 3060389.563 33250430 225661.0263 2453805.087 777098.419 765519.156 0 0 1882446.564 0 789627.607 490061.1927 5481606.662 2171863.824 1906958.137 0 244339.4659 259849.3835 beta-Guanidinopropionic acid 610446416 2651326175 469598698.4 2500353505 688742742.1 757636018.4 588111027.7 741537459.2 923387566.9 2735096918 587944834.9 1037148238 1972822209 1214684700 1327619067 876213534.3 698520642.6 999014526.9 1298550037 2688154954 2368473675 2156331599 2276790179 1482304262 572480179.5 765413801.3 685350926.4 706879006.5 625031583.7 363235990.6 208658916.4 207184677.1 175940224.4 292205506.4 166858924.4 224966657.3 208569562.7 211583737.1 234668314.8 145442912.7 156013989.4 244228536.9 122000089.4 80986770.3 87195148.23 182465028 242351763 202152022.5 119438694 128059367.9 112684759 97629303.07 140960287.1 110956304.8 136358487.5 108464606.2 187832626.9 135654709.9 159375714.8 130899060.3 Betaine 1526375547 966370003.2 1217522282 1048242151 894954928 1378111859 935842292.9 1076330424 1087606519 676121244.6 866398987.2 1491479223 1473437689 1419147134 1133797880 967838347.1 1052004235 969502464.2 1318324008 742006794 838019371.1 997694585.6 756622070.1 727503820.9 936778099 1254956772 1365427002 1213774693 1107112426 956742072.9 683854272.1 719054764.2 575198752.4 629037529.8 652377746.7 502091444.4 305858666.2 585596176.4 385146083.7 565269082.3 668176121.8 943817015.1 653036496.4 522305324 568044310.3 621715803.4 622730060.6 374941894.7 554625359.6 672773969.7 520700291.8 490522742.8 335722235.5 459537256.1 635982530.2 556093051.3 401408689.1 543781964 535237407.5 408250407.4 Betaine aldehyde 1813196.549 1612079.525 1421250.94 2423564.115 1717305.211 1170992.83 1048203.54 1034570.887 494802.6875 1494464.279 1338250.573 1794460.124 830441.9303 1821972.115 377506.9611 810997.3184 1617794.696 1914353.785 1226815.338 737239.4423 681343.4127 500524.3661 794830.1128 1108663.27 502830.033 527383.4375 1218176.882 849164.3986 559854.7629 734671.4713 1532149.343 1777958.192 1232201.095 1223133.984 1492733.076 1498556.278 1378933.481 1585253.422 1226538.265 1378276.07 1545727.69 1214303.169 1389383.668 1363542.879 1256314.952 1234389.712 2259703.719 1336358.237 1492901.452 1470138.961 1328502.514 1802217.479 1465241.544 1300401.766 1637622.406 1642990.282 1465497.467 1808656.664 1443144.536 1297631.248 Betonicine 4937439.632 3134880.313 4895498.568 1375655.558 2598946.737 4121345.93 5139686.822 3676108.723 4990281.138 3262181.454 3481223.44 6706214.748 7058543.202 9482183.173 5766035.875 2839164.962 3931986.053 4810252.999 15386322.27 3207866.936 2434012.264 5882869.011 2492286.6 2252601.51 5296154.888 12817828.71 11756980.3 6123985.868 8287473.292 5487192.499 2789679.297 2646316.382 1317646.734 827558.2267 2529171.857 700780.9964 1454449.62 914822.2514 744027.2815 1609957.003 2788073.228 461823.1452 3797537.447 4580435.514 3501712.648 1480537.998 1598168.482 1639813.087 1816992.56 3587649.991 2106881.508 2206470.735 2063584.408 1749430.825 2736711.576 2185671.656 2504067.263 3741710.264 3077403.198 1855665.644 Biopterin 6012168.204 1549683.607 7910888.215 1905105.084 8011034.311 9031277.362 7403197.35 6539950.483 9696800.721 1204880.133 8808599.549 7584850.913 6848760.544 7556817.8 6088150.427 7984853.74 5596342.423 11185506.31 10542041.73 2272510.378 1388806.312 3120076.203 1269501.273 1738302.262 2622176.436 3754042.504 5402962.319 4492684.135 4354851.429 4097652.941 904471.4915 985050.4949 671041.2523 641865.2692 815313.5709 822086.3551 568032.9287 1037153.687 709589.691 809976.026 648343.5653 749430.9659 910211.8026 601626.9466 679812.0444 865001.4777 678253.6078 665828.5734 645382.1989 687890.7402 798820.6019 728186.0759 752947.0864 542669.3348 678350.7717 670820.2472 544572.4937 579824.0004 509253.7337 562027.759 Bistris 5268263.944 2869962.936 8266132.583 4734670.324 6153853.276 8894263.923 13661116.33 9253520.734 5061134.869 2696704.533 7314705.302 4845015.816 8386036.508 4860769.68 5865310.949 3867855.81 8128464.153 4671266.165 6988863.77 3804406.557 4570910.457 5083760.756 4052295.718 3558174.305 3313742.824 5669091.132 8232631.196 5210002.016 7185309.785 5602972.789 3005794.616 2672458.593 753251.0701 603428.2336 1276370.956 6495964.263 3527164.76 1146909.758 5590638.839 2866153.703 1162868.793 6412233.023 943454.6798 5563960.545 723312.6939 628979.8556 3688895.988 11675403.9 468591.2964 663319.4802 882253.9302 697504.4532 260691.3317 1140001.362 877672.1464 1156974.059 1198356.95 1711080.793 843733.5839 673053.9605 Butalbital 1532549.097 520432.8175 2156234.066 576644.9812 1637076.245 924650.4983 837185.2857 1167374.905 1131379.787 799856.2045 904621.1126 1494209.83 3599573.477 4698466.444 48190516.58 674003.5592 1775884.878 839567.9969 16707887.11 2252817.851 3455058.241 4277317.816 3027690.457 4334583.476 2536311.291 6362552.953 4100594.701 5324603.845 19408709.26 5663895.608 386545.5018 371369.4804 332193.2518 362436.364 324674.7737 315657.9513 182717.6354 416589.5476 285593.0184 405125.3524 462021.2876 286950.3943 426733.4007 448824.2449 447600.64 315088.6475 297096.4401 325837.2832 430429.6373 432223.3714 366835.2831 410049.9828 364080.1285 400818.8644 421080.7681 408552.8974 415803.5876 408441.3383 379982.3939 408527.1166 Butanoic acid 3425197.927 1493618.937 3440388.742 1484653.002 3158857.001 4054656.782 3662500.555 4455649.883 3760262.862 821240.7611 3817024.182 4822221.624 2376274.749 2652871.739 4296415.831 2074113.933 4476674.069 3845892.649 3833167.119 1012154.729 1874627.314 1968260.612 786574.1191 1735570.691 1407139.169 3136525.805 3358478.546 3470556.031 4516402.555 4346232.937 5232298.951 7616360.938 6577185.017 5872663.205 5374345.844 6705249.974 4598101.996 4896569.481 5625976.347 6202727.707 7381277.891 5748392.445 6027116.849 4485771.732 5155951.204 5120066.179 3905614.441 5739898.375 7883159.088 5274699.737 6377320.975 6044082.151 5889316.431 3634460.603 6131576.072 6201035.759 5774713.391 4725926.861 5662812.369 6179539.536 Butyrylcarnitine (Car(4:0)) 986908882.5 295655450.3 2502653436 161238985.5 1173945503 625920389.8 942061981.4 1741474202 2152451376 171592544 700190712 1635112682 2744665707 1360748558 2873699588 897818581.1 737256055.9 869434906 5034250618 1053465835 1689263448 2188681002 230136110.3 2252114382 1304023715 1088017626 673204345.2 782678373.9 1196897570 685259095.8 99021603.9 120939999.2 65640829.07 58125077.51 86862864.11 88227109.31 86877704 34046703.71 61023274.98 81901156.48 61090738.83 59220380.97 99412283.47 81443191.31 105312372 83055112.38 87616005.61 79672274.42 119982637.7 63470622.62 129936494.2 172588841.4 115380125.2 137178730.7 123295522.7 112580905.4 87540248 85564479.59 80371141.16 113754917.2 Cafestol 7293220.005 2259042.935 5348654.639 3885291.344 4744177.754 5515488.233 4752543.927 8110421.063 5211534.168 530902.4936 3193892.395 8592594.599 838069.6321 4815416.283 1919372.172 2731871.479 6140685.081 9444456.049 7959651.992 1902201.76 4022415.982 5781559.672 2026701.501 5583744.337 2561069.041 14520152.22 15489787.25 10754946.19 7856260.439 8946875.891 519226.7285 339027.0765 0 33159.80433 389926.2594 0 0 23294.10428 0 0 202177.3957 63723.8688 636315.4581 1181628.675 286537.9389 79930.75016 188718.6606 83490.51523 79297.41229 412192.586 116081.4886 364669.2896 319734.7617 250355.7329 227290.105 177226.5585 418512.5432 269725.7277 339699.2126 141658.2121 Calcipotriol 1170419.231 238730.9148 769794.0504 115660.0914 4442572.378 961026.9673 758389.0129 899438.6458 163722.4836 0 336490.9835 437071.2751 103353.2616 44027.77306 31542.432 1091297.097 295017.154 801965.3019 740878.0185 194684.0756 252660.6479 966191.198 343419.0058 211894.8705 303149.6525 2087830.171 2093165.202 1015516.476 473616.194 968467.7903 1666602.339 2191193.342 2297939.813 3405081.609 1349902.135 3049767.947 1581726.733 2630052.766 1647565.377 1639327.682 954692.2595 8274807.918 930246.6957 624603.4465 655820.5333 2261355.036 2411539.814 1698547.493 936084.7749 854703.2611 1596812.856 969955.4497 1717571.777 932844.0828 1043354.637 773649.5797 975171.6601 442630.7821 596116.6262 1116837.384 Caplamin 216756644.9 45261098.04 238403005.7 60988936.26 262574409.7 156422768.4 196225400.1 183594792.5 310671175.4 28031627.32 196652622.9 254400473.5 116248337.2 259226617.2 135522124 139173023.2 249538550.4 328288275.2 289963117.6 41499686.08 32104617.08 82669642.01 40541052.98 46271785.02 62850243.79 204205781.5 203387838.9 140153328.1 169791760.9 133180640.3 10625626.59 4873676.622 7986126.801 9678695.315 5053066.836 7487786.624 4449772.529 7322362.294 32438052.17 7765433.799 3738100.484 4574757.407 9631981.95 10908192.44 10319739.02 40112334.49 8728337.186 4641303.537 7346435.437 9547347.622 8146544.478 8457288.391 36686149.6 26569575.25 8652074.153 9169310.217 9563085.364 55696325.49 8204922.154 6376411.572 Caprolactam 4888423.602 2140320.601 3182331.483 2804692.098 3820841.154 3415585.562 3225881.656 3055991.818 2699597.48 1661765.033 2461575.701 2992975.888 2813213.917 3355623.509 3173866.332 3452545.614 3783578.603 3252763.94 2273742.923 2451740.079 2325049.123 2188873.303 1798339.686 2047245.704 1661241.088 2089781.495 3308013.219 2371336.112 2007821.447 2719932.282 3731321.535 6384994.818 5934623.974 3944382.685 3816692.636 4069514.453 5398530.837 6573455.387 5579831.709 3929867.435 4272062.167 5040318.494 7124279.281 4179600.773 3499166.094 3811197.82 2664468.773 3232789.115 8092066.27 3238842.872 3559130.015 5162760.078 3558199.373 4483392.832 3664999.139 4528689.508 3862359.285 4472464.955 3698924.531 6622874.33 Car(18:0) 768165207.9 100410490.2 570830617 127815235.5 693361384 584046113.4 577578494.4 695521491.6 628144414.8 71856535.82 441044049.9 859893068 277347726.9 312120794.1 136499068.9 521578818.1 622554065.7 597963030.9 374142428.1 79011217.54 133327127.7 157128875.7 121624953.1 151715261.8 200741209.8 242629983.6 344034428.5 245063410.2 392687721.9 245138694.8 834621.9608 3547645.846 1814079.342 1833101.17 845815.9839 3152259.275 3137449.607 6765518.412 1473113.367 1812154.015 503440.1708 5952810.827 471220.7693 1542284.09 464961.2994 892275.9268 1734978.091 1221543.797 699660.2453 196198.1466 347100.922 282172.304 420396.2729 428391.112 395657.0604 456937.0075 454130.1332 128221.0163 661368.5852 349902.5582 Car(18:1) 616435559.5 95473937.73 419034588.1 69231150.37 700483380.6 466515910.4 322710546.8 513601895.6 355065358.8 26412896.44 350629576.7 627058315.5 159075084.7 148118885 98314096.01 360684905.3 248882727.1 342419876.4 513886094.1 71970836.46 136544617 268318374.1 102472479.5 174221476.2 173548063.4 366870685.7 449063313.2 296349100.6 255520568.9 236799646 236939779.8 404149535.6 374597598.8 348435795.3 184100220.5 354632803.6 340774902.1 365942440.4 259995457.4 173876396.9 136191369.4 594828181.4 70397171.67 61776656.52 65053121.79 243898060.5 243422376.2 203570414 62683310.93 75775378.5 94840783.17 66465982.65 111410769.6 86809405.4 61611360.2 58814212.92 62882454.09 33756503.71 44672981.4 76524397.9 Carbadox 2450722.671 769881.0393 6685006.046 747513.3066 2783481.137 4015073.258 3610474.959 11456693.92 8756789.054 1135810.724 3860555.009 3147401.401 5923339.787 13695304.39 12618384.73 3122180.044 3052730.679 4259793.668 10786296.22 3475986.414 11544390.23 33885568.19 6077689.356 7969827.396 17240004.84 49037931.64 47058137.22 41061672.33 29124258.55 40573455.44 11013682.15 6042093.847 5880272.289 4686974.584 5900786.347 5592065.563 5607429.06 7050663.666 5695492.188 4616305.921 7503915.493 3582407.979 12287078.22 11127202.53 11469310.63 7824633.461 7423993.393 5519534.637 4540090.243 10787887.29 9141269.011 9644627.405 7638237.732 4087008.525 4500115.562 6170639.517 8191417.159 8615154.007 28481.94737 6761172.524 Carbamic acid, [(3,4-dichlorophenyl)methyl]-, (1S)-2,3-dihydro-1H-inden-1-yl ester 15488383.45 14386257.74 13925673.78 14474094.89 13542289.89 13657984.02 14136551.36 13859853.89 13573946.47 11295938.89 12977882.81 13231475.26 12212937.08 13130030.65 13021637.49 14189300.03 13868665.62 13188523.79 12500532.82 14031026.88 11555817.02 11021531.96 13845629.94 10491242.12 11925075.16 12416199.5 12827702.4 15057151.3 12707943.57 14722149.88 79884070.94 95372427 114530460.1 103428285.7 108028187.2 88607039.69 114038625.2 119975025.6 115106442.2 104544748.7 115156880.1 108635185.8 107989515.6 81681609.89 85808175.35 105644839.3 110210926.9 87865780.3 92138445.23 103509677.2 87399520.81 115816254.6 102541971.4 91133511.76 90634899.23 92677167.26 109335994.4 91398315.15 103954569.3 85599994.37 Carbidopa 2738754.233 373383.7741 14157489.67 349884.9438 7718935.98 22993992.36 2509204.738 5883833.62 2051031.879 409785.4627 2467367.976 6822341.408 1747615.694 1321637.905 3915777.481 2153421.79 4282734.402 3252400.114 1727000.706 765338.9618 1214194.896 1446678.318 192150.8092 1253101.787 1547132.118 1202709.915 1029221.437 2093661.69 3467112.818 1202389.427 2540454.226 2002788.372 2830549.709 4322707.484 2962601.129 2497722.078 1052403.246 6574274.781 1260452.575 1543143.732 2852459.625 2261545.326 1532971.293 1428955.001 1141020.243 1687206.412 2952950.227 3759784.898 1040528.183 1427360.545 1432793.754 1486547.113 1237865.014 1063968.443 1348781.322 1059308.696 1328431.051 1072382.83 1193937.918 1376057.789 Carnitine 5071659297 2206658344 4544040393 3135881073 4534737372 5457339651 4985033237 5294902362 6549875687 3898853103 5058745791 5098531234 7475759039 6583669174 5965442635 4809077671 5300166109 6436645625 6629320849 4976407558 4433616919 5164974517 4744038267 3115038788 4715639628 6937622638 6823285237 6265464617 6204249368 4705360799 863119481.4 848156208.1 501634271 513227476.7 827989875.9 698498112 630809164.2 676776382.7 542643510.5 748039384.9 767615642.9 435533899.7 906654379.5 858716464.8 838776267.1 584306178.9 802886785.8 793794404.2 794196228.2 1011489801 830069907.2 950236199.4 732522152.1 767465355.8 864654376.6 842085725.7 752179926.2 861523014.1 817396092.4 683821535.5 Carnosine 499315.485 143036.2886 563841.8134 74120.73667 107124.997 85285.91771 212198.7673 380147.0326 343996.9234 233054.6977 248804.274 598062.0798 174115.1739 177838.7129 488034.0979 509812.6754 148090.7456 251869.1318 1134785.512 415673.4567 248198.4034 473758.4618 157650.5191 387512.076 100663.1523 267127.318 224676.2551 471866.2899 294557.0967 161844.1779 4888566.383 3711170.192 1538628.163 2268570.108 3049032.549 2345805.327 2695536.633 3347446.002 2127096.428 1965667.384 2385333.487 2705926.121 2781808.55 1860707.729 1264345.148 1760886.612 6076926.556 2081942.729 1739160.774 2450236.799 1863326.689 3111368.132 3018923.11 1566919.55 3638651.79 6162618.482 8215013.053 2249679.676 4790651.821 2926106.403 Cer(d18:1/16:0) 58751422.29 37405862.02 153236738.9 21416376.08 82194562.58 4544167.621 5007462.196 44281150.46 4797461.873 74285112.14 288567212.4 95363973.91 90675884.74 3181640.856 111318835.7 58284479.26 74872352.34 84269234.4 127527424.7 38518959.47 12855267.22 88469059.99 40775375.28 95296166.67 38645461.6 39680430.79 670702752.2 32990723.67 350179555 110723114.6 22475519.94 36034698.45 38236301.8 37667140.28 26418426.69 17000760.63 38120418.27 48203715.86 13862584.62 29624115.49 27879072.95 18007922.32 18656095.97 16168033.38 25072919.57 15184932.87 22381924.22 13803310.33 16668262.34 18686637.84 22163688.14 1092832.226 13770779.65 21614072.71 13199873.82 14518640.05 15904105.67 891451.6955 16164186.37 13232448.63 cis-4-Decenoylcarnitine 6358348.733 1297487.567 5018263.896 1521795.133 7556946.908 3953172.861 5677526.634 3724209.185 2900738.689 333040.8913 3526271.196 1444586.912 278912.4648 683742.5338 0 4151842.444 3242675.433 4146049.311 790327.8615 1253360.257 1063737.317 1725135.819 1884055.362 691728.6186 1607078.298 3356609.601 4481142.911 3414362.138 1623915.338 1888730.702 3032423.535 2788590.081 3164621.199 2838017.373 2597514.795 2001692.521 999824.2187 3297669.659 2391508.268 2521864.356 1475815.551 3909201.293 2626845.457 1265463.244 1627882.942 1891404.938 2004828.645 4129123.616 2983582.224 3114999.875 3302811.544 1202273.782 3901882.087 2884149.847 2027938.119 993990.6919 1511542.989 1633266.233 1654977.587 3448222.96 Cohibin_D 2281241.738 3181534.272 4440354.456 1142160.224 1771458.02 1817009.926 3517044.369 2834009.093 4361748.629 5737276.274 3797460.191 2895875.073 741803.1219 2976723.086 2599054.388 1050554.678 3426685.668 4766856.469 4913553.855 4520448.983 4440119.285 4047623.699 3108399.129 5414184.857 945301.4733 819743.5705 2255388.714 402508.0729 4993475.74 1093735.829 1487058.65 1761667.588 1550784.925 1207185.728 1810014.483 1127881.374 1486582.478 1385537.438 1469455.532 2358194.288 2156853.81 832183.8856 3157912.305 2608623.939 4309595.374 1770593.637 1738592.217 1026346.33 1528350.229 915204.3323 1242612.152 2691397.616 2142732.817 2896030.199 2076782.54 1975409.301 2249366.765 1422183.341 1985417.762 1162427.191 Creatine 610446416 2651326175 469598698.4 2500353505 688742742.1 757636018.4 588111027.7 741537459.2 923387566.9 2735096918 587944834.9 1037148238 1972822209 1214684700 1327619067 876213534.3 698520642.6 999014526.9 1298550037 2688154954 2368473675 2156331599 2276790179 1482304262 572480179.5 765413801.3 685350926.4 706879006.5 625031583.7 363235990.6 208658916.4 207184677.1 175940224.4 292205506.4 166858924.4 224966657.3 208569562.7 211583737.1 234668314.8 145442912.7 156013989.4 244228536.9 122000089.4 80986770.3 87195148.23 182465028 242351763 202152022.5 119438694 128059367.9 112684759 97629303.07 140960287.1 110956304.8 136358487.5 108464606.2 187832626.9 135654709.9 159375714.8 130899060.3 Creatinine 588747772.5 184686366.5 348242346.3 168576256.1 355001900.4 373280728.7 237101172.2 380489028.1 374013154.9 128720346.4 255360977.3 354371667.9 308733007.8 282687788.6 263247477.9 202213049.6 331426657.7 249808607.6 365055160.4 181408348.7 140028246.6 161980336.7 147310851 126970789.9 146502293.6 339285556.9 366133819.2 331928275 341297378.2 264377099.8 1532768875 1824999330 939484695.9 1080554779 1287212618 2236604799 1382177287 1927466104 1835661448 1527163146 1645828820 1533948359 683321843.5 691432132.4 631246122.2 1301411046 1548497409 929710015.2 675492918.4 661320977.4 834193804 790749411.3 644324896.6 796213765.9 775751203.8 707275082.3 652620742.9 866370283.1 679523077.4 699109621.9 Crotonic acid 84452282.71 27817063.63 75385621.76 30957729.62 66973285.61 61177361.29 80666253.26 72056326.25 57208470.63 24215359.65 56678157.47 78335596.45 48179512.95 60428925.7 42601409.68 62067420.93 109716935.9 82022420.07 75063310.41 37340845.53 36095217.65 39462569.21 35209479.07 25791190.57 42381276.58 68174555.36 85964977.74 59536017.77 76062326.13 53271591.36 1495925.347 1457737.106 1118859.279 1093800.954 1140569.934 996970.5515 1230521.2 1661823.695 784770.9612 727618.3349 1103079.89 1216640.198 1228046.334 1233444.762 1099505.107 869302.4037 1209577.637 893947.1096 703376.0065 1102906.056 679974.1612 937654.7559 858713.1028 609343.1937 845860.1613 875002.7975 9729042.93 986008.6844 819355.327 829020.4171 CRUSTECDYSONE 11275356.28 5639737.931 8996175.877 12374770.1 4135032.059 7020123.348 8773530.45 7593812.649 13835571.95 2020489.145 7925829.398 6033689.792 7845309.412 11420186.76 14138748.82 6981628.431 13574835.4 11922848.48 14373386.68 7681097.601 7869406.341 3101440.869 4481589.055 7132122.684 8701080.825 3409007.464 2413699.272 2138562.091 11024684.14 3222228.61 8257690.702 13554634.44 9844636.272 9936425.439 10053980.33 9682630.663 9810511.945 10005495.91 6214397.118 6114578.56 4555101.914 20727985.9 9841407.822 7969149.959 10040914.93 6772530.648 9568885.679 9032541.059 9575980.751 9430668.941 9760600.766 15108654.55 11174078.56 12825680.14 14923145.59 9582374.68 8292916.505 5558972.04 7699072.962 6543558.654 Cyanazine 3255506.827 4312812.307 9123438.9 3844829.712 3809824.502 4674522.478 4582921.484 14861795.77 12947356.78 6938106.575 5113361.477 4227163.028 8980098.956 18398305.5 18802156.7 4564934.252 4062909.468 5333269.139 16313050.83 14915081.5 44894993.74 93092962.22 29288850.82 31163472.31 39379724.35 86033602.27 76683095.86 80273836.09 39629799.7 66732775.29 14076007.62 11471557.77 14476031.62 11858274.35 12434289.2 12482582.51 15212795.25 9949065.259 15225657.8 11972641.08 18215055.09 9161627.367 25112010.91 23720607.39 24162376.66 19420140.56 16576860.44 13787735.79 12272259.42 21900258.91 22905663.76 23407868.82 20345480.35 11923880.21 12213000.58 16887379.28 22598158.26 18769005.45 18802717.05 19066156.36 Cyclocytidine 81235997.66 184404300.7 240171729.7 151160549.6 101433405.1 110260073.9 149719733.8 333394236.1 296832153.9 278028282.1 141169930.6 112334956.7 273714364.9 405533787.3 433725820.9 148512247.5 118679134.8 164605911.1 352640940.9 642284732.1 1598617201 1786247845 1258089476 1128185997 1072673652 1072813104 972234562.9 1206258963 776144056.4 1108806791 128425559.4 121793221 151957689 130116437.3 131313207.6 128752020.3 150305054.6 95053574.65 161169629.3 126017441.2 172856028.2 100789253.2 231576964.6 223530225.2 224380326.6 182924915.7 158367896.3 139731003.8 144457797.2 207973259.8 218899590 223260962.4 206184556.8 141254931.9 136601483.6 161376709.7 212021244.2 167736860 198641433.5 187755215.7 Cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanol 46218487.74 5599503.354 29454234.11 6612491.541 33656992.82 20169903.73 31226555.41 36489905.37 22429497.51 1183157.033 60442138.35 31280765.55 9813885.316 14073503.03 2137753.724 37145119.51 26081948.74 39379521.16 29891281.75 4469623.941 6048345.053 14284106.26 8941445.318 4163109.49 11898628.86 13109616.7 26400988.29 21390578.25 20575098.39 7598590.273 4671418.773 3919656.28 5532824.525 4008081.066 3423354.591 5448622.875 3164200.414 5884009.92 3075027.39 2298014.871 3560978.033 4106005.767 8529299.879 10138278.07 9058193.137 4339354.333 6475245.543 8533293.855 1936227.443 6916066.466 3390285.735 1466986.124 5983716.939 3107875.32 2418715.148 1155677.312 1959724.943 1842601.357 1966273.513 3127822.811 CYCLOPENTANONE 35278699.75 9861942.473 59477426.37 12716059.6 82425458.05 59887276.35 28865045.01 19804414.61 32475429.87 4451043.752 101808456.7 64040718.24 24014412.15 65247502.91 28450759.78 42507134.71 110526850.4 52471793.77 47425989.31 7657018.059 4590379.83 4286769.014 13091279.11 4457376.011 6628164.338 15816044.41 15429379.57 15143136.26 19075302.62 20563982.39 7067651.289 1688650.602 5378714.527 1343884.445 5572007.747 2392091.495 1404520.871 1784800.824 7671898.862 7280507.466 8620175.882 1052868.177 5962726.879 5855339.813 5924409.456 6427552.658 2583330.717 1471595.119 1527020.977 6096903.42 6360344.096 5935317.194 6294318.588 5761087.199 1135143.466 6308517.232 6833131.107 6523600.036 6376603.113 5817933.841 Cysteine-glutathione disulfide 9432789.064 15398638.65 12203802.27 8473733.453 31487243.65 18143545.4 12916298.24 10427063.23 46956797.09 5038695.1 21737297.26 17236609.66 4959198.425 12940200.91 7060446.635 16447910.02 32928689.26 49373488.28 4707518.013 9440444.915 6253467 4526001.52 9321625.242 6212212.494 2631511.374 8988447.664 4623180.536 3598918.097 3985944.544 4071486.26 5767868.463 4344271.593 2232623.444 3756797.62 2304714.037 6361787.37 2234908.154 16344834.53 2768264.681 2685514.343 3423205.579 1422375.85 2887744.342 3363559.525 2867588.756 3304365.87 3649833.691 1819937.043 2043776.498 3158405.466 2444437.305 2993056.81 1317434.17 2404321.048 2683763.795 3033536.145 1502809.832 1534722.534 1852452.15 1585992.61 Cytidine 343963474 94762594.03 343528767.4 124339799.8 156045850.7 83638572.39 253152512 306384007.8 437980374 38913684.43 318317860.2 302588683.1 198712032.1 264442636.5 122111176.8 246262396.1 397576877.7 345070875.9 182292545.6 26072640.37 19149719.22 23376412.43 26783206.18 59633361.81 53681889.6 75253371.88 101460768.8 122014122.8 126081530.8 60861150.81 17081213.11 16191994.78 13629538.12 13434396.94 16470976.38 16618083.43 13738268.37 10469918.07 16393767.98 12971860.95 16385793.98 20665044.76 25404108.23 29004522.73 28266853.33 16020888.56 23572873.32 16282143.4 10133622.82 14400695.05 14135861.49 12691063.83 20496346 10500932.39 11831416.52 7592968.917 12890884.9 19458777.51 13142757.54 12500504.19 Cytosine 230090076.3 59488030.62 246967291.1 74716290.8 98389878.5 58730796.48 172344395.1 215296758.9 313843330.9 26667882.28 211799067.8 208876772.3 152961567.8 181273091.3 93363169.48 156761002.3 251163461.4 221672411.7 178873592.4 24077407.91 18209316.79 29886204.65 22282732.6 51537720.86 49000251.85 81063178.19 97305259.84 97321792.21 106550886.6 56857037.85 40021362.34 24558277.76 34645487.56 38831199.66 42996308.68 39441781.92 30935359.87 46940891.73 33588541.36 32071904.03 25069030.09 68437020.55 16664958.7 21670081.47 13808735.69 43378762.18 34360398.12 30845789.76 38743938.83 19994395.35 34101305.04 33481946.65 36213791.94 29572530.37 25308039.57 24668807.97 24875938.77 23778009.7 22991820.77 29052556.42 Daltogen 4115474.449 2247607.675 9785224.892 4185327.333 5634486.568 19477415.2 3606025.76 5953447.184 6205080.317 2519289.559 4067939.302 9442285.708 3012520.746 6534007.054 7148126.24 9068235.817 11041964.82 17528840.88 8642427.141 2465039.976 4809133.181 4052949.098 2013950.943 2934390.778 5432349.273 6341564.927 8845040.056 7846342.776 6080522.985 8031489.461 27311127.29 6880247.7 5841405.612 3756524.45 5726996.345 9966381.605 17941210.81 11377558.93 13732810.95 11577211.06 10520226.34 12479342.86 14376908.64 23145575.77 12200154.16 16883761.76 16070667.66 6090501.206 11841467.9 7386198.092 6640824.933 8011351.677 4281963.355 5556575.57 10110109.48 11299613.14 7609005.936 8352255.891 10787275.77 8721854.192 Daminozide 3613548.088 1673603.128 3700993.981 1705955.484 2002275.163 3758536.64 3216948.979 2789418.533 7085499.834 2853765.121 2466767.429 2714663.354 14865264.71 17371114.73 14575688.56 2965779.85 3280667.007 3135702.153 17633529.11 4687022.196 3801952.739 5867696.004 3501997.734 3168844.944 7950755.859 13987817.96 19479650.45 13468309.25 17828787.29 13604894.57 7434394.937 2745049.6 8150860.971 9437117.723 6802925.134 9157465.411 5271618.683 10143085.01 7798216.283 10098057.08 9237024.222 10847481.44 1434975.174 4318860.143 4016480.383 7866827.647 9730085.172 6374590.761 6485791.32 3313363.774 7077492.776 3845079.724 4583373.728 3335104.496 7101722.381 3068912.77 2067293.167 5664815.684 5936157.068 3029864.228 Damnacanthal 5420495.627 414899.8186 6614856.662 707390.8519 4004667.94 5513764.318 3574351.619 7497378.911 4732788.846 127904.8765 4853993.625 7118288.77 4269003.077 3722891.876 5853113.783 2789540.809 3357357.194 3421236.111 11276922.49 1516437.194 724621.1398 3830896.951 1313471.226 1229027.263 2963271.131 8779658.143 8637522.166 7178225.685 7395732.995 6350171.534 1237614.349 2691419.442 2011245.23 1679999.02 1343394.059 1852302.206 1080179.512 4301553.955 1021378.892 1999233.797 2590669.124 6636962.967 847331.9569 564922.6982 224373.7567 2148419.905 1586893.34 1143828.572 494607.241 1127615.25 515236.1489 895833.5416 863056.6612 320324.6522 1006408.425 1125512.963 967923.6077 1423528.819 796736.9027 1125970.353 Decamethylcyclopentasiloxane 4845479.149 9559502.14 2945183.609 14557436.71 2325411.676 2451393.017 3605148.932 2576726.515 3694754.898 3391321.535 4391756.141 6897008.191 5189241.974 5978342.456 3813601.642 3810180.294 2002589.042 2395478.626 2377437.595 2748747.622 2120182.69 24249546.79 3115716.206 5243531.268 12416870.33 4206733.528 5183287.885 4442669.675 2339494.631 2917754.369 10176653.72 13921608.67 17085542.32 11853257.26 7197678.332 11834850.84 12311674 28220368.68 8202069.147 11170147.63 16022838.66 9518637.858 6699751.356 17745992.45 13229571.13 11287876.12 13481151.69 8461276.969 14455060.82 20820064.95 18601662.79 10183817.14 13680165.67 8308347.017 14124839.1 17054001.72 17204259.05 29498724.75 8853208.12 16995405.7 Decanoylcarnitine (Car(10:0)) 3516769.228 715595.2567 2267564.418 209334.786 6105701.307 3089253.233 1961076.493 2535660.489 1221612.4 23278.20678 1698575.813 1558424.444 611661.6216 0 59138.38473 2767523.734 1075978.867 2058508.849 1266751.098 682514.6153 550775.5648 1203343.651 545537.9294 813401.5028 1308139.427 740768.2114 2312480.835 2029702.575 761034.5794 754467.0825 4913313.242 3746955.324 3075482.6 1804678.982 3124336.047 3347528.299 2363259.691 3511593.794 3046316.758 771422.6549 2164087.77 2756615.478 2343591.599 2845786.289 1569056.818 2873586.387 2086424.854 5121386.069 1836161.876 2420187.561 3163900.651 1094546.781 3301941.176 3204456.141 2730610.84 1576393.472 1487348.01 1750446.627 2118028.388 2966833.022 Decenedioylcarnitine (Car(10:1-O2)) 306179.3191 342390.3756 516484.3359 263233.3134 1303228.192 679168.9272 948216.6068 1368313.43 1018324.088 92747.86361 2433935.225 8405283.346 97483.1164 954807.656 2014886.991 19600242.87 585675.6185 2361121.517 556456.2174 54401.07317 413072.9009 257946.2889 3009778.932 339045.1575 450482.3772 123998.6087 737882.1246 580025.3334 595742.1652 3195874.751 2548792.053 3137745.637 3690419.53 3849415.322 2026074.751 3324416.084 1701080.365 8357343.34 1759489.049 1687520.445 868481.9758 9048519.073 367476.5307 317615.1172 360711.5705 1959318.521 1643117.342 1297426.713 983276.6305 355721.7449 990239.9498 600189.8087 1056127.025 742188.1052 277461.6069 313368.6127 449350.1904 372933.6216 286719.0844 588564.3383 Deschloronornidulin 1815401.369 2569567.1 1769119.704 2214734.228 1707152.126 2123415.698 1917010.663 1707198.866 1595845.536 2147146.422 1707845.248 2355246.801 1845289.372 1786999.625 1385515.526 2187290.602 1979174.095 1971391.319 1300545.221 2236732.769 2354487.775 2307853.683 2320082.129 1911928.75 2299248.721 1709358.322 1988622.786 2210375.648 1727121.448 2030918.636 2896442.341 5061735.321 4256785.354 4728212.256 2657604.377 3968255.859 4495522.7 2738492.367 5674700.258 3308317.366 4322983.104 3284028.83 5030972.896 6574089.593 2752698.717 2878972.073 3543184.043 2880603.747 3319101.68 5936208.845 6740807.034 5514876.5 5442534.735 3496621.073 2816455.852 6190158.774 5118925.386 6370198.993 7236346.276 3876601.956 Desisopropyldisopyramide 6721994.463 1319560.455 4327080.659 1912904.562 5483912.534 2839093.695 3582951.114 3350552.695 4324064.954 1222636.498 3455011.65 4295231.402 1441966.064 4193292.72 3202918.33 1777436.942 5854636.628 3369689.975 3407605.617 1449459.851 690117.4427 1285535.255 1952763.634 1205962.844 587412.611 1762310.335 1093232.428 1195620.648 1436991.038 1035397.53 6959249.307 4885766.203 5517358.424 3081755.437 3867569.019 4088041.834 3166897.735 5936371.927 2381873.164 3228518.594 3874493.083 2876717.857 3302609.793 3251630.436 2323497.535 2966880.734 4561058.111 2806439.684 2119105.451 3424729.018 3053036.338 3497163.597 3044645.185 6550257.14 2520160.715 3212552.347 2363804.543 3362151.128 2302482.41 2002141.681 DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0) 823083.9334 210593.6154 982055.9509 293940.5301 663826.1016 1042975.241 727329.3078 1133827.302 1322750.657 434732.9972 1457006.114 413882.2646 730513.2811 1960150.365 1317392.601 621481.4304 497764.6969 748066.5284 1387734.265 538620.3842 1801498.124 3193450.676 680271.1279 4114870.521 4540825.116 1237859.4 884399.4538 775653.7708 1276521.604 1255591.412 774118.6043 1302985.473 1708241.893 1126418.143 1080848.868 1770291.548 2376979.522 1023636.208 1619891.307 628328.172 699516.964 3086616.969 1272255.42 1187175.966 2041932.586 1355297.246 1742712.989 1691414.349 910192.8421 462982.7414 922041.6306 2251761.454 799022.3565 1179432.122 2125118.886 1674369.192 2256003.307 914414.526 1603836 1436348.337 Didemethylmifepristone 1815840.598 457901.584 2036053.035 299645.6803 2602387.882 259952.7283 904151.6505 1358737.412 4107660.804 146340.3764 1407363.663 1421768.985 793148.1588 2673991.956 1753241.864 773761.674 1960488.475 1537552.297 5347562.512 613112.9539 897011.2516 2864426.196 366416.8282 1201025.631 1099039.731 2641428.151 2670435.837 1911023.58 1477061.777 1222268.731 0 710273.0303 3397693.33 2165693.32 0 3020117.112 2273565.449 0 4151182.02 252292.0563 6962429.384 0 11088275.18 2598849.876 8153510.108 7862377.638 5530469.953 5700561.025 1850429.642 4830696.022 5589799.531 10909874.46 6012717.997 815985.178 63408.49169 41109.97077 2054324.182 661372.53 643940.1919 2264614.376 Diethanolamine 59634157.84 49830214.02 5339715.693 54044563 55798952.34 55685512.59 61918482.2 61697034.08 57303499.74 51530254.2 54094065.99 4970050.925 2123051.623 62881747.13 56936015.27 58522055.1 63819088.76 2559135.437 3727133.809 52731231.64 51889351.78 51067049.69 49562736.9 53302220.93 2430961.634 4341679.399 62024324.01 57219105.96 3460805.013 60128528.85 15200677.64 11397093.44 4166574.796 7936307.825 9254451.292 29765946.89 19315316.56 7469122.685 20111125.17 20264963.12 5376426.06 10928496.79 3626387.751 109617333.8 11755063.17 21502020.93 3051663.698 7860602.945 3892547.365 3668674.054 3548648.309 6342294.283 5574605.683 1941295.531 2454024.882 4807637.028 6025966.123 3617984.887 2380774.917 3540951.082 Dihydrothymine 4927558.039 5059936.438 4007048.014 3980238.409 3784136.024 5445525.709 4223035.657 3095934.223 4918617.917 1477900.333 3295488.549 3355127.281 2922670.609 4949040.578 3326172.005 4980333.964 5168505.606 6767037.489 3718529.402 2990556.334 3041312.235 3120245.146 2867003.726 2356963.017 2737783.315 3720387.589 3417739.819 3856828.085 2955004.459 3583300.531 2495894.732 2800848.807 2178781.702 1705842.616 3083961.689 1177768.37 2508521.145 1832750.094 1012733.868 2643704.661 2133745.269 2797603.39 2048276.494 2484393.422 2123615.19 2979361.725 2284563.052 1912576.963 5533664.078 2999760.547 4257062.786 3509212.323 2570258.812 4045538.339 4003570.221 4128133.3 3793083.86 2789299.176 3929393.917 3569409.977 Dihydroxyacetone_Phosphate_Acyl_Ester 44355186 33637197.67 16466781.44 17984758.7 11409640.62 9822868.139 12590024.1 13377373.53 13810171.48 4031827.56 16904296.21 17930472.7 5147536.123 21689100.01 13830750.72 12067760.67 7617103.658 20623682.28 16920346.53 44485845.36 31351553.79 4638147.779 16839478.64 11322297.92 13492892.61 8303842.151 15973794.97 7610189.194 18926161.24 12173636.44 8053963.533 6781569.132 7039883.939 6901133.359 11771996.33 5115273.941 7252081.765 5652872.579 16682009.84 7996834.611 6841018.953 4089434.924 8425564.148 8675837.762 8409013.286 4246622.026 6913747.619 12282132.15 18721261.79 12908899.49 10651777.63 8322833.188 4854320.451 9312799.8 8979248.065 7407005.364 7455064.609 3061932.176 19918414.42 10181392.96 Diisopropyl_sulfide 3295741.261 4674193.098 13297504.81 6409882.399 10723201.27 2242383.706 4324481.875 6489867.53 6135042.232 4645753.885 2397318.873 34260020.32 13970955.98 7092298.864 6016908.085 2873360.455 2961025.726 3291553.624 15659066.64 1855756.579 3015031.546 1400777.449 1629664.592 930368.0137 21848901.34 1188891.288 619721.7037 1009745.419 2500761.256 823358.0719 11597193.91 11716161.54 7511861.868 7742955.549 9774158.543 7366986.512 7922767.109 11746526.88 6735665.109 6291801.225 7267669.889 9305269.122 11436427.01 13314136.09 11757136.5 8090633.184 9019163.786 6974250.845 5270503.472 10373259.43 6400573.929 9300355.387 6915193.525 5399033.198 9250817.707 10151760.59 9624261.775 13117784.03 9363233.691 6791408.957 Dimethylethanolamine 7076700.187 10753537.44 7205866.407 5766305.594 6159482.413 13979691.11 7388357.572 6519687.328 6406014.059 4685679.939 6766187.925 6887453.858 14309513.88 6068844.335 5364463.693 6663840.135 7230957.436 7089819.848 7606280.824 4496150.243 3575413.412 4610885.787 6839583.034 4393697.863 5582032.786 7684298.466 7319575.905 9404740.064 7747013.808 7288657.142 3652439.103 3834785.064 16407.49209 49074116.85 15815648.73 44651000.93 6409994.051 3944585.04 5249769.106 31944068.17 23118139.57 6397695.357 15513543.34 21901763.19 2893875.1 30256053.24 6584921.227 3346068.956 3514721.136 4864844.427 25556343.31 35274636.02 5267908.421 34344683.57 26998003.98 28378691.32 35266893.02 10293790.66 21967253.03 27898238.8 Dimethylglycine 6779700.522 854455.131 5837071.834 1578380.272 1730256.495 9101693.723 1776448.193 2762187.699 2963391.067 491974.0753 1851653.811 3796240.345 1541538.607 1597460.545 1689302.585 1714801.329 3697272.699 2850777.179 3914030.662 724854.0878 967019.5262 1491745.209 672195.9214 831036.5619 1119396.874 2151240.581 2111493.241 1783815.429 2442032.175 1257279.256 65874143.53 79641217.7 76790072.32 113430650.1 62247799.22 87977694.92 73828976.98 85712675.87 62213628.61 84566234.48 108230763.1 154555793.4 52985757.83 50733576.9 52292883.85 78997788.22 101598504.4 75935170.77 48553131.09 40125216.54 56550383.52 43072494.18 43087270.84 39168657.86 42500160.67 39689926.3 39119308.81 37205775.12 42480160.55 34455407.15 Diuron-desdimethyl 8415474.545 14000234.7 12479024.57 14123531.28 13125389.81 14032473.46 12548935.5 12772676.98 11950879.07 14778847.23 11930931.62 11679996.42 13553376.2 13505916.19 13327219.38 14533426.89 13419892.21 11174467.65 11020930.39 12911664.5 14834817.56 14076899.69 15454469.79 12586583.2 13774557.47 12837226.56 11904127.24 13628112.44 12803261.26 12072257.53 2402573.729 3179775.748 4140622.495 4623684.36 2734070.788 4016996.055 3374583.286 6395638.77 2886888.35 2696788.268 2818177.978 4106256.292 2553077.868 2536835.267 2375882.962 2696727.172 2567138.435 2897567.235 27590.54546 2640427.801 1775196.623 2686991.794 2491404.072 2708444.22 2351746.862 2647408.364 2591956.986 2592111.007 47844.42932 1662316.074 DL-Homocysteine thiolactone 7477412.073 4365606.07 7689938.503 15545368.6 8148641.257 5715214.853 14610960.93 8838394.793 7127190.035 23449376.35 10094339.94 7544473.079 12613089.95 12806168.27 9444009.548 9860475.487 13213787.32 7976185.814 8125549.852 8528219.695 3931737.675 8922911.932 10597644.24 7865312.261 9366839.367 4453866.289 4816547.089 5648052.49 8589770.303 4155609.558 10897041.8 12148946.3 10033821.18 6263478.475 11917923.27 8730542.566 9182122.971 4519070.533 8597587.619 9230254.664 13710411.07 10835911.12 21112471.61 25618873.08 20765811.97 15707683.75 13743714.65 6065140.576 14038221.97 22838050.88 9908898.347 13504182 11476466.38 12029558.91 13912406.08 13464197.06 21655244.62 23717201.18 25714116.88 11899205.41 DMPO 4888423.602 2140320.601 3182331.483 2804692.098 3820841.154 3415585.562 3225881.656 3055991.818 2699597.48 1661765.033 2461575.701 2992975.888 2813213.917 3355623.509 3173866.332 3452545.614 3783578.603 3252763.94 2273742.923 2451740.079 2325049.123 2188873.303 1798339.686 2047245.704 1661241.088 2089781.495 3308013.219 2371336.112 2007821.447 2719932.282 3731321.535 6384994.818 5934623.974 3944382.685 3816692.636 4069514.453 5398530.837 6573455.387 5579831.709 3929867.435 4272062.167 5040318.494 7124279.281 4179600.773 3499166.094 3811197.82 2664468.773 3232789.115 8092066.27 3238842.872 3559130.015 5162760.078 3558199.373 4483392.832 3664999.139 4528689.508 3862359.285 4472464.955 3698924.531 6622874.33 Docos-13-enoylcarnitine 10920362.27 2560312.666 10576328.98 3853338.078 8516956.433 32264207.14 21146225.13 16408478.62 18479584.4 3874046.852 10630491.03 21462060.33 21366241.1 9694310.993 5383969.801 10721100.05 13576246.41 18255724.4 12973285.71 5332786.635 10226575.77 8328687.211 9472100.382 9204320.382 7265081.913 10281469.07 10075209.23 5480385.396 5526491.696 7770960.365 1174311.882 825343.5321 256040.0608 1320281.787 1266428.507 1206198.104 506550.1896 1214100.307 202847.3255 95807.66896 1237521.63 1072264.438 1318544.781 96889.74522 1195854.009 1278482.233 1064192.667 1265148.598 1234324.713 1206465.688 1243649.382 1376554.363 1246328.465 1206357.755 1437334.623 1193723.033 1199045.404 1184459.355 1406672.598 1217649.201 Dodemorph 59527397.31 14495394.04 41412955.74 17660419.36 45837574.79 50611670.92 33549846.61 38159139.16 36188958.85 5539099.968 42729026.94 41228304.68 12347601.67 37049316.71 48255747.76 22393571.82 52308144.31 32380880.59 25558984.3 7348180.931 5602558.634 16363239.9 11268372.56 9866280.159 9661855.627 32395706.57 25966508.19 22077636.4 28728619.14 28347332.47 42522543.86 31954962.7 24115933.8 24699804.36 27926767.63 21174112.36 15438604.97 25815911.42 23785010.04 20630208.03 18285695.03 17606952.44 78679120.1 51109108.11 91394097.44 29098038.2 29327760.56 35378010.47 11060814.76 40625833.2 27195700.22 28308110.99 29378450.16 39415593.55 25740633.04 19660646.83 27975824.25 61290892.37 39185246.38 25341054.63 Donhexocin 193165.7081 384605.8976 182354.6632 305809.1148 167371.5586 196219.5806 326341.3441 147409.5758 217106.8705 239746.0513 1206126.702 144779.5461 453975.0554 810297.909 505111.5477 517000.6885 1171221.039 1072503.435 251145.0662 331870.7324 444819.333 969384.9927 377147.4833 446444.023 376135.9981 506963.9247 239137.6916 638773.2452 1172139.446 130243.5348 1666518.023 715712.7439 513524.2354 510542.9168 487785.5847 4906123.76 520421.9425 1119809.176 620233.2415 491615.0395 545795.8998 385001.1048 546646.2581 509366.1214 446676.09 385534.4076 464676.3122 319765.2033 642769.8694 496814.0212 734073.6267 703009.1431 449856.197 482693.012 539211.6996 305224.5936 869338.1825 535510.5071 855497.6133 369499.1099 Drostanolone propionate 2202321.133 534230.8651 2147437.662 2311920.664 1759896.608 3044855.866 2293177.004 1802521.425 2739696.004 140666.2131 2507781.357 1812297.578 1961537.304 2416710.007 2238090.368 1400359.755 1966563.48 2397416.228 4202564.3 597105.7552 498318.0293 565362.1138 343945.2633 536182.2525 1582941.797 903327.1084 898744.8039 644098.2836 3234776.002 831708.4242 6800963.874 5162632.586 5770201.407 5768353.8 6391710.324 6077909.349 7540183.221 10341521.59 5964161.33 5208730.54 6536089.268 5859243.751 15302342.15 11183060.71 12599688.28 7506773.387 10522276.86 5992620.986 7062442.165 13099703.95 7535477.839 10608536.02 12476175.81 7408367.477 6832915.507 11453532.38 7923600.077 9968423.099 7359690.341 10475736.05 Dye X-5380-110B 2216647.397 252379.1681 1580628.029 363435.9761 903948.458 2176437.633 1168873.596 2222468.256 1864094.266 81664.53786 1161946.03 2305609.443 2144970.112 2064564.481 1689096.175 843148.2644 1624560.876 1980001.073 3211170.733 809336.6416 340024.8168 1680823.526 611255.715 279518.8522 436001.0102 2530799.19 1873110.635 1197370.008 2463952.251 742682.9037 1270966.664 1743286.976 1149645.341 855472.0872 1246668.864 961064.8462 720851.9001 2998649.373 967659.7461 1108192.346 1389281.035 3453281.439 910107.6289 731393.5657 433286.0709 1456090.09 1036520.851 864237.1488 203062.4017 1290493.439 379433.2645 411789.3692 495280.367 177537.7385 774490.3653 677818.9725 570300.2095 1579196.645 597899.6326 794861.9825 EDTA 782457.7076 9957679.634 3926319.022 4323421.05 2217181.638 547872.5205 5200198.319 3490503.388 5179606.736 6183204.243 2745109.642 4219588.072 3001683.781 3926562.198 2111627.556 5997355.817 2925382.462 7358806.783 4349902.997 11508682.7 63710657.66 7830938.936 1906270.153 10928348.82 6079714.625 5601959.719 14496166.68 4605841.465 2156949.312 5945130.564 19967894.37 1730047.882 11821258.02 6618379.769 13479989.06 844914.0322 824491.8898 759089.834 585299.2828 761379.4895 562054.8101 623238.1315 1146227.271 731410.031 545828.5276 1005106.526 866628.907 650325.5802 592059.1634 640205.1112 714726.8673 701968.8157 701327.6046 1277125.792 676764.6302 898704.0261 657710.616 701491.8787 1949412.425 677187.3654 Eicosadienoylcarnitine 101807598 10485235.33 68772354.77 11584713.55 109632393.3 69643728.46 43120401.61 72205074.52 59280651.13 6238749.253 42526094.04 88240071.26 36218727.8 31917717.29 9961413.812 48970287.18 51089960.73 53909769.72 51982899.91 12362187.23 19251720.96 27634835.29 13612031.83 23801612.64 18075759.42 38158330.19 50858469.04 29164102.19 24382347.64 28191252.8 8272398.015 12890483.86 7049934.951 6862149.273 4405726.536 6699516.391 7209632.846 8902081.319 5349891.428 3656008.662 3308428.536 12491108.02 1909002.512 1678483.383 973729.3791 3057057.067 5187183.948 3919613.503 2395735.251 2678625.334 2990832.514 2432226.138 3581462.204 2499133.432 2141626.69 2164281.101 2116234.792 761077.651 1891763.258 2200093.899 Eicoseneoylcarnitine (Car(20:1)) 127988724.1 17125738.42 99186080.39 18576252.08 141578951.1 150621501 78907882.77 129692300.6 104197500.8 16687807.93 57261228.6 141395621.1 84179319.39 58999343 23532110.82 72341645.06 80626375.92 66778923.4 71235944.91 25577107.46 30927790.3 43220636.8 22926240.26 33765929.36 40394141.46 72700971.66 79861299.75 50739358.36 47232400.56 52046084.34 12807571.6 22347275.78 11936640.92 11076371.27 6270212.228 12496756.77 13449307.8 16221469.79 9070883.614 6213539.111 6620060.057 19248703.83 1207388.556 2215322.504 962072.7998 8228409.283 10486450.06 8218887.69 3429668.5 2321202.457 3587146.487 3301001.996 4641071.458 2656872.512 1676639.639 3264564.132 2618839.463 1768624.579 2422226.105 2635367.087 Emetamine 338357.9926 36066.40337 416135.4614 93057.15887 114723.2956 42479.61458 148447.9603 659267.5761 237477.138 33427.1958 166060.22 458199.4878 252933.1178 222145.0139 129074.2191 181270.0754 289624.6984 194599.8893 848917.7576 34410.03632 26213.27872 133443.4887 161708.5481 90342.13455 92282.13353 519337.1695 177341.0519 64247.71373 596599.9568 106363.1107 222659.1758 224900.4121 87821.57663 102914.4352 225670.4024 141821.9177 50145.96671 186205.5894 103481.51 144826.3014 157371.7436 238690.0654 246953.571 146851.2841 257514.3944 157455.1206 171531.6331 70977.80745 166197.5568 282911.2697 408469.8491 459092.5805 258288.4383 159446.9275 579696.5172 722952.1336 516164.1853 472089.8873 493024.2281 406385.8381 Epinephrine 17724356.65 5743495.798 16567456.31 7353159.93 12063688.63 16276589.82 14818491.49 15410980.48 26281065.39 7112967.019 19093918.2 17705745.47 20790935.82 18583563.22 16483324.14 14276256.25 14448898.32 17401767.78 22900660.49 8474903.299 8681444.516 12307353.78 9301691.259 8489054.952 16698775.12 28887910.27 22325581.41 22853752.4 26649056.03 18582565.97 3961637.906 2603534.515 3307128.562 54413581.12 2125937.254 2821941.828 3531049.691 3659066.115 3279657.597 3121961.27 3413226.873 2354091.641 1533518.749 2946332.777 3026946.089 2027858.172 2612089.353 2941685.051 2296831.706 2672889.526 2378114.533 2907341.474 2643268.274 2292595.208 2427118.67 2283312.071 2039524.041 3712750.977 2003417.852 3326535.697 Eplerenone 60023668.54 17299665 103235384.2 178128135.6 121191750.2 109719941.2 58657135.98 83255703.68 150533197.4 93135985.52 155319912.2 519249110.7 166332515.2 363988478.3 95031063.55 303131726.6 266113700.4 643146479.7 86071947.54 35937441.25 339669826.9 66020841.87 23252807.62 57389896.79 229081530.8 252411910.8 136913998.1 132789738.7 195722480.5 106245992.4 872344886.2 668204764.4 446658342.6 10545547.92 701758986.9 689933592.2 548738249.4 862225162.6 23157678.51 1251039344 726361985.1 1398263821 37035.45174 632052349.8 382186231.4 356345978.1 486728700 820416046.8 391127455.8 440877985.2 375479789.5 508886331.8 789747629.4 12710760.43 549270610.4 861544633.8 427292663.7 615712274.9 383131766.1 329721651 Ethanol, 2-[[3-(2,3-dichlorophenoxy)propyl]amino]- 2743645.416 1237167.168 3345287.259 1608574.523 3639170.352 2698820.224 3231922.605 3271685.323 3867985.135 844364.5264 3003431.687 3044737.86 2243152.375 3793034.803 2195793.208 2806268.654 4170331.028 3503945.486 1875142.4 1127930.651 802284.4389 1534927.281 1041367.227 715499.6631 1095706.868 1777159.397 1833108.852 2012198.697 1872387.645 1475026.379 1413832.558 1731403.159 1202803.708 1266569.116 1989957.56 1402814.259 1436559.8 1682561.136 1233165.468 1523806.467 1203414.252 1646925.084 1662212.936 1203928.225 1206812.263 974291.6442 1433377.419 1695590.251 821157.3453 1615472.892 1048038.512 1716126.694 1482134.136 990321.2087 1334829.951 1454467.87 1334860.9 1493935.549 1794890.288 1094496.891 Ethephon 35760641.09 14138507.68 34112780.37 32812389.23 34789772.74 22046371.27 36366204.17 32796710.45 32581677.23 30299133.82 34123794.16 33428972.01 37861406.39 34081022.7 35033659.43 15786154.05 35405513.04 33844921.65 32393897.18 30024800.92 27295282.72 33696034.67 47773.60499 29882867 32369899.46 34321586.74 34158001.99 34290338.45 35808397.68 34508628.16 945189.6592 400204.4621 677452.8113 290631.5791 411724.9289 494166.5723 262096.0515 336465.4147 122603.6091 166238.2321 808642.1612 305803.9687 550870.2553 361941.7089 642018.7937 603308.2811 401850.5399 690002.4189 1017017.43 553059.322 995406.2356 593162.8383 337347.8753 780709.8525 328261.6107 347216.4647 1063260.015 813139.701 716531.7041 158853.5225 Ethyl 2-(allylamino)-4-methyl-1,3-thiazole-5-carboxylate 2487313.002 87561.9142 36283577.28 63551.26415 1813719.347 899156.9056 3606553.207 7420939.929 20621055.32 1070021.295 1222325.922 738306.0954 24466099.26 26226172.98 75825016.57 5395836.618 2484997.601 1634680.835 135865514.4 4733997.772 5373659.103 17197140.5 3360637.055 15467006.35 22676135.97 43500000.74 12252848.18 18855224.55 46429062.01 27788241.67 93071.5102 98673.98168 3959223.208 42980.25667 73545.71782 92800.88418 83773.21845 333132.6524 67263.9798 63537.12003 90409.98835 80731.30484 6334056.213 31849.35163 58710.90659 119236.4621 67667.78787 50531.44834 82585.25813 75505.73883 3976933.757 43938.60501 57486.35571 55636.66728 72370.36643 78102.66405 60377.90645 6109203.222 5268763.935 4026055.933 Ethyl 2-amino-4-phenylthiophene-3-carboxylate 4214246.38 3288465.958 5140359.323 3958405.198 4790916.277 4632502.867 5014212.004 5845595.991 6411207.714 2650993.188 4565385.682 5548743.861 4043288.891 5577158.45 4365671.007 5054230.772 6314085.164 6031690.853 4593333.272 3023527.747 2491704.308 3608015.508 2951768.843 2497964.391 2204595.255 3456292.307 3900282.11 3442258.456 3415508.985 3210249.654 462827.7613 451806.5904 448548.3407 456666.0618 466080.5694 465348.1857 433705.9638 426950.9801 827954.5852 337890.0043 358163.7139 483027.2334 391988.3479 333516.2402 460048.7273 336129.3655 420950.5281 510933.6382 384491.0458 463761.9875 348708.1005 434402.0924 294093.5621 506910.4979 493314.0296 444713.047 389441.1722 457618.4277 681696.9294 435378.0587 Ethyl 5-(2-chloroacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate 5614716.876 2354004.627 4390669.635 3294367.817 2752498.323 5931452.429 3286868.963 6111805.087 4072798.2 1126511.141 4161201.306 4737295.977 5384979.519 3808055.614 3438060.843 3626251.418 3678623.484 3856315.963 6028347.352 4981376.85 2363063.877 7759860.09 5375749.824 2359831.943 2331848.3 5487985.587 3702010.561 4191700.799 5757698.959 2721316.465 2662617.873 4232019.954 3734266.735 3128747.372 3055448.442 2480343.359 1748822.877 6660293.457 3119511.771 3428532.615 3938582.715 10010514.36 2302724.72 1655635.594 1185867.421 4246841.627 2805798.927 2281852.548 719858.2981 2897219.633 1181234.172 1266789.906 1392758.522 537469.0153 2131478.014 2066637.018 1822594.736 3972533.094 1996232.815 2479302.188 Etofylline 601518.8546 1109391.512 1235462.79 1132360.572 468185.8096 464143.7152 939436.1001 1726216.602 1079275.943 1379190.088 780128.466 691073.5361 1403134.248 1716005.496 2555007.498 814901.3219 760124.2337 841167.9688 1751003.275 3523281.07 8566707.333 10976559.45 6617098.856 5710691.975 4819205.666 6656882.793 6319751.867 7356684.547 3639125.404 6579560.96 876696.9909 832054.559 989833.6593 887606.5607 1057051.625 772248.577 1056536.474 995971.7032 1062072.694 748953.1652 1106575.791 638275.4607 1453738.816 1155715.098 1320521.565 1119492.32 1058945.388 1044239.112 882818.9266 1127596.259 1358745.129 1490169.662 1346426.717 886460.9037 901399.2683 1035743.542 1277845.188 1159303.447 1218810.593 1134577.179 Fagomine 1991520.507 756100.7254 3450827.567 1521599.853 2107155.466 7173913.217 6157893.792 2692951.199 6512137.214 1540870.748 5879938.039 5660840.53 4610842.234 5518829.117 6031035.667 6068408.567 2441271.466 5643161.133 7949666.421 2158384.784 4091687.633 2853156.555 4847208.018 1679207.604 5713902.234 5590702.133 5825155.207 4423711.294 5132588.696 7941171.132 6169367.997 6138028.524 3287153.48 2723265.427 5643341.241 3143590.587 5241686.64 4722778.564 3463935.58 5399327.116 6152644.292 4120695.565 8541162.965 9503371.44 9189904.166 4467105.272 6160442.206 6314126.745 8161294.961 8925664.966 8388111.662 11236567.81 8470926.777 7517578.3 6707017.629 9137174.392 8370837.378 8100790.077 7108992.354 7521467.997 Falimint 2315664.432 365348.2717 1909616.464 500368.7264 1168207.662 1040437.142 1800060.888 1694864.8 1577331.65 186077.1414 1047137.375 1398363.045 594068.0204 1360834.037 799316.226 995793.9662 1714398.428 1600153.842 1947640.517 422402.8986 344622.4676 547057.5954 473634.3965 416948.3044 458587.3732 889158.8864 932916.3328 652716.1313 1126892.679 596278.7497 9022728.028 2108406.722 2192566.224 1365860.11 2794192.613 49652.98777 2376876.994 875111.8869 1463566.505 2779383.57 3150153.243 1282292.341 3909077.432 4052706.784 3017496.949 1294158.151 2815221.973 1626357.43 1613476.304 2444150.423 2223909.082 2768411.91 2474876.529 2449871.897 3743972.604 4174135.011 3692204.847 2969636.967 4833148.699 2657519.185 Ferulic acid 4-O-glucuronide 792598.1517 913946.3778 383375.6879 2131253.033 226572.9747 341293.0713 490390.1961 260785.8189 496339.5126 306507.7618 713002.9229 1493845.211 591603.4916 1212507.412 476950.1277 515805.0068 392391.0177 362037.2026 394828.9609 320055.8561 334212.4536 3763424.072 330531.083 762860.6641 2137366.341 554078.888 1157440.766 570677.6992 338041.1065 436314.1567 2301734.519 2866074.444 3242180.608 2492527.642 1482882.525 1979649.154 2512850.192 6975074.593 1633376.14 2850046.438 2544678.679 2141398.575 1264285.574 2596213.749 2575007.347 2316240.797 2584061.936 1854101.507 2930483.171 4838000.202 3473257.946 2193185.009 2135111.722 1784199.858 2591300.448 2731072.348 3078823.943 7243720.119 1675832.671 4034943.434 Flurandrenolide 110873.2438 47630.9304 250606.6516 52911.94285 265757.7622 355082.8659 0 339763.6171 333144.2329 71827.69205 202745.9315 478072.76 0 80853.12624 635658.282 225351.7745 246084.9949 92374.89855 415279.5312 167426.3249 347471.2646 414246.4707 78804.2056 232220.7356 558969.9038 793217.0982 1449119.725 347733.4453 1085078.988 746709.3659 616983.089 1378715.202 1807814.473 1184424.299 267469.7564 230874.1583 1272279.504 1021081.537 1108814.632 696265.8908 1442299.117 539505.1024 398219.861 797132.3781 444533.4025 1252312.499 1269061.377 634702.1366 473967.5466 1156958.079 98904.06035 466185.5538 897190.7575 1534812.511 3117069.76 674015.6739 616750.2696 2102220.261 498253.031 2236000.553 Fluticasone_propionate 0 662429.6576 1438194.855 483288.4446 202356.8354 235347.9792 347558.0119 4162250.883 3674994.753 1200137.594 463637.6127 303172.4065 1772687.092 5467062.707 5886670.625 332376.7335 372565.1849 857053.9571 6246417.373 9647172.32 49461186.86 67583796.08 25083711.31 22866634.59 27466729.32 50557378.63 40742136.43 52982341.95 20219444.22 42777201.82 242162.4014 283296.1085 165139.5659 139544.5907 588506.7878 197707.3191 214283.2951 63673.87245 232181.867 329725.8017 358016.5842 160254.7769 268351.2917 381175.7667 584754.93 293999.358 275252.6543 356889.7729 617471.2504 274098.2221 613393.1967 295071.4272 616419.7968 489965.1523 382636.1365 371180.3652 625774.7753 319968.3379 274348.8719 658067.4303 Fomepizole 15682124.62 19606533.38 16745732.96 49844697.29 16622802.67 16456196.3 16711022.75 16937375.9 15499206.45 21427296.42 15915191.99 16413871.03 14192907.58 189117.51 15809049.38 13415784.58 58302063.3 16805422.17 16800730.33 20044256.79 19014869.46 19444254.92 19334606.06 18627139.84 15720990.37 16794829.98 16978629.2 17921316.13 133481.8888 16453947.31 5662798.064 7621984.714 11323401.69 26714405.7 5586241.822 4953976.749 6106792.821 10527341.43 6139716.636 6408152.308 7170724.143 5563615.717 6555503.132 6286121.377 5589609.108 6267919.779 6209602.64 5871118.351 6285182.286 6131948.176 5696553.84 6691513.652 5882340.847 7633183.074 6372715.647 6390521.912 6143582.592 6027193.879 6775403.591 6195348.134 Formiminoglutamic acid 6599219.413 1955795.334 7100056.07 2176338.553 21828508.1 6957152.475 8064799.375 10605698.07 25591357.3 2908632.522 5714249.922 15709755.5 14187712.15 14088246.25 13517944.28 5139533.709 5631906.283 8861631.311 32462462.25 2527299.718 2288095.998 38208271.89 1444588.814 1461809.444 22726453.23 7908579.758 6214306.09 5013079.324 12302459.06 6199555.93 26329628.81 25790748.72 46896251.99 27479125.45 18031461.34 10986798.08 14119596.58 26756332.75 10486983.5 8760553.965 9404389.459 13875389.02 5280656.542 7192034.469 3412458.33 4115194.463 5842047.295 13306573.21 4414353.114 28721922.36 11798527.18 6858920.047 11136462.05 7607939.393 3155938.431 4479801.674 3587400.288 3718765.698 2985099.301 5230918.67 Fructose 2961544.712 4562532.764 3145947.808 8909267.629 2732148.323 9978647.921 4233018.866 2601856.312 3143215.529 1662745.928 3981429.445 3191896.143 2408087.83 3238857.426 4508755.641 2003306.141 2923351.391 4658949.273 4559117.83 2285923.17 2021553.814 2396859.285 1956568.199 2249722.744 3120522.12 2705366.798 3812580.813 2692721.042 4457049.593 4814268.69 114164966 112312848.1 24951605.82 13147926.12 112502583.2 68590738.06 31658725.94 1304332.069 78672915.53 192024580.9 102122749.9 25088634.63 159655699.5 127370610.2 136840618.4 135756340.6 120417422 90927951.22 267697719.4 141844390.6 267717115.4 271607770.4 190071259.6 238615638.4 234005942.1 403809181.1 227584712.4 125336108.2 192433053.8 237887855.8 Furcelleran 107973.8899 179021.9157 79922.98693 184706.3386 270611.0753 95377.85296 193681.8838 105403.8191 100356.3783 0 64969.77068 106446.4524 31693.78591 49524.67535 41522.81779 181361.95 137378.7788 194525.7868 69581.84633 41388.01572 61790.15608 98673.49247 8503.944811 37726.00105 64003.34692 85272.12419 43083.68331 31285.54418 42392.5777 48170.20481 2133446.526 1384650.723 0 0 2125260.451 274494.8404 213081.3467 1245292.229 517851.959 973565.8828 443342.2594 1439327.614 0 446818.3173 52013.03927 770590.9739 386590.5091 338302.2685 45763.6566 37537.06256 40739.33991 0 27051.07923 166695.3011 288372.7997 296928.9822 116356.2324 283033.7577 114031.8046 88041.42042 Gabapentin 11034112.58 9872181.822 8447950.227 7074554.522 7106721.478 20490541.33 15221209.53 15209262.76 17054143.86 6188020.962 12895387.06 17574253.98 14629427.64 11759179.62 13444366.88 6391429.953 6517078.199 18224552.03 18071299.09 8124870.098 27294093.24 8626940.299 5073271.855 12791743.57 13782195.55 22843673 18725676.26 20302884.29 25484547.46 26685737.52 3087738.316 5510599.386 3667903.213 6130146.716 5736737.05 7659093.175 4638666.334 3765041.464 6117075.589 4323464.718 8708547.914 5934192.401 6621949.772 18066013.19 14542762.74 15586356.68 11950334.53 13659594.53 6003932.128 6530999.308 7871265.093 5209740.481 5441929.365 2500241.073 4165108.633 8179767.615 5855957.518 2569627.601 7658881.128 8805328.421 Galactose 2961544.712 4562532.764 3145947.808 8909267.629 2732148.323 9978647.921 4233018.866 2601856.312 3143215.529 1662745.928 3981429.445 3191896.143 2408087.83 3238857.426 4508755.641 2003306.141 2923351.391 4658949.273 4559117.83 2285923.17 2021553.814 2396859.285 1956568.199 2249722.744 3120522.12 2705366.798 3812580.813 2692721.042 4457049.593 4814268.69 114164966 112312848.1 24951605.82 13147926.12 112502583.2 68590738.06 31658725.94 1304332.069 78672915.53 192024580.9 102122749.9 25088634.63 159655699.5 127370610.2 136840618.4 135756340.6 120417422 90927951.22 267697719.4 141844390.6 267717115.4 271607770.4 190071259.6 238615638.4 234005942.1 403809181.1 227584712.4 125336108.2 192433053.8 237887855.8 gamma-Glutamylalanine 3599172.063 1721365.387 5902041.56 1474749.303 4308243.119 2704721.433 3123807.918 4380222.626 11936108.31 1823558.761 3428997.251 5405297.688 3582920.32 7143167.142 7310475.169 3567705.863 3421150.805 4631858.121 16532226.28 4923631.045 4570882.648 6506936.29 2889916.328 5251526.825 2621820.657 8385978.655 7240166.132 3602817.391 6826246.574 3924761.804 1843730.91 1943425.846 1715696.99 1307890.202 1473189.552 1056081.985 1281236.185 1838138.74 945770.1929 2140825.111 3241333.6 522399.1846 2810624.701 2336837.996 2831173.99 1143767.394 1793544.894 2140214.248 1222649.882 2686464.02 1760617.972 1836618.334 1028151.951 974267.4591 1788794.475 1543309.619 952024.077 2604725.702 1407282.109 978428.1439 gamma-Glutamylglutamic acid 38522149.09 6781305.18 62795822.53 11374918.67 34642185.13 29288098.12 70349927.6 47401965.55 114409068.9 5087379.403 63524420.34 49680754.41 30223065.9 81072825.99 21081219.98 30080880.99 62146333.71 76880569.16 59275462.5 15454915.48 8528562.642 11768325.64 8304593.891 11026394.7 8592417.23 18875034.45 17564540.86 9656240.527 33109326.18 10413272.61 975143.8285 757521.1807 1384093.487 817939.5421 596099.2068 448719.6458 614004.1143 1640196.821 329625.7211 765869.4069 818022.329 271400.7478 845098.0548 1178679.65 766074.2015 499907.8229 479511.794 836005.4873 338157.6084 1569934.64 344089.619 425106.3574 316171.6441 288390.2946 293622.2559 229843.5337 272738.2635 441012.0677 292959.6017 199332.9535 gamma-Glutamylglutamine 1044482.121 478632.2165 1611961.147 453850.6467 957551.0855 487404.8631 745871.5516 1142561.6 2754567.563 562725.6018 839006.5411 1258849.613 1083406.587 1747899.683 2520547.626 851265.3927 890668.4625 1121714.12 3398806.367 929735.1983 778098.3172 2771078.847 840412.6545 1363884.801 666849.3806 1481401.244 1008961.724 1110350.452 1522428.762 1225027.71 33185830.81 50143469.93 78246126.44 67674016.57 40411280.86 61425144.4 62197193.28 63694653.31 52270022.26 72699837.84 58877904.24 47904945.09 33321124.35 26760894.75 39256463.93 58122750.68 47618816.4 59525605.68 33714202.44 26376336.93 39199985.44 41056220.66 29928849.97 21271695.97 32986262.37 30809115.15 16413863.4 43400891.29 22402509.34 22466757.49 gamma-Glutamyllysine 3120955.765 2281756.311 2452586.484 2392522.406 3412191.404 3761290.456 2698076.28 2093741.648 2841405.03 596670.6473 1949674.996 3258622.502 916026.9381 1698821.822 1783716.179 1799149.281 1963001.081 2063293.547 1927483.927 864227.2698 377701.7708 2414333.726 1222445.188 603210.6318 268572.6881 528907.562 470280.9543 882269.2315 786145.6556 666303.8084 6285124.998 5874291.916 3695916.84 3645753.276 4580443.463 3635910.35 2995511.912 8523474.874 2747920.051 4478064.064 5576478.463 1838548.678 4645815.273 5229733.451 4305111.876 3958751.865 3745789.117 4237941.003 4904760.233 6891117.164 4861843.489 6279047.702 4937028.19 3355086.28 5120033.28 4121700.004 3153324.353 5227984.259 3841972.588 3288192.672 Gentamicin 6495547.598 1368864.387 6110557.53 3291327.294 9501391.703 11871215.15 6067203.422 22520675.22 5730973.002 1663355.675 4589674.33 12598657.87 8590480.67 40748988.41 11957123.51 2704604.551 5642809.716 4463038.676 50458704.3 22398690.58 39367119.59 121525013.6 46316528.23 38408497.48 75900196.1 207628315.7 223303817.7 183128775.9 80996924.07 216187176.4 17687412.22 27849683.42 20222155.52 21960098.85 19275221.68 27225971.76 39279756.57 20761747.54 23137317.26 42784130.06 37930201.25 20056796.52 17545969.67 10548872.84 9983501.199 19296117.93 26516976.74 29774512.78 13059256.76 15567587.19 20495349.55 21844785.1 17556454.92 15849686.09 8802964.29 18945189.31 17442640.36 15720628.45 16809304.82 15930193.97 Glabrone 17676364.52 1256842.5 14267788.02 1275556.842 17430386.88 21023000.55 9675300.922 25417048.19 22310355.07 388635.0585 12741538.16 17083615.1 7515444.273 16510337.59 10769228.31 6474579.899 13769160.14 16882797.91 19841366.66 1206131.975 750764.5487 3524542.5 728821.1241 598677.9177 1644772.256 6195426.305 6869849.649 3174238.973 9747368.291 3382819.546 3914609.195 2955064.791 1499357.253 1714503.17 2425031.929 2880852.588 2194224.413 5464439.897 4162756.808 2438063.212 2340370.702 2750594.352 2061809.227 954080.916 1285873.513 2022968.121 1931695.614 3086494.53 2201945.873 2650676.305 1196067.567 1233817.644 1103805.7 936231.5233 1127199.779 1072910.521 639126.8504 2178550.255 815296.2353 542119.8713 GlcCer(d18:1/16:0) 7795632.897 3389985.599 9699351.602 2226414.48 4888507.606 6190414.417 6682975.352 5053443.786 4814071.265 3016746.568 14492178.53 6409895.031 1382250.251 3123075.379 2690855.525 2991010.11 7252545.028 5855585.448 4077387.116 2240946.971 1007345.225 4951543.249 2435687.002 6959424.114 190096.1201 1901163.856 11083035.18 1801259.395 3567468.481 2502269.39 79979062.82 71855322.39 36306945.12 54509904.29 91505402.5 53291591.59 43438213.4 96544041.25 47452756.82 110407665.4 172262256.2 26360743.17 32462647.08 21020625.42 25903651.28 77534353.6 74864900.38 20141546.71 32877522.52 38339861.44 36678863.19 34732427.1 32975133.86 46807504.23 35926079.16 26252153.43 36207616.8 34823672.06 45078681.55 41362798.47 Gln-Gln 176266.0636 167746.9685 345898.7526 109782.5284 69338.53018 264954.6316 142963.9979 255568.1582 318892.8562 340352.8605 148147.258 331915.9937 242894.1382 204631.0754 692503.9343 328102.7846 153220.8258 193404.782 734600.2885 614698.9283 436013.652 598556.2488 183574.9467 515502.0578 157583.1795 446354.7241 468996.4865 166194.47 223999.9945 152491.3588 8392608.628 2559648.819 519583.18 860320.6266 1855624.511 809961.4675 421133.5696 4212972.27 480552.3605 398277.3887 676316.2327 322246.1186 485982.9753 495418.4817 422085.9282 477653.3224 601149.885 376078.9406 408712.6656 518667.0515 397394.2799 413808.8328 371000.7671 392909.9288 423078.2896 381429.6841 352769.5836 431487.5586 370378.0173 304580.5174 Glutamate 506716724.2 108179653 643356407.6 120365934.8 466354596.7 369740295.3 645966030.2 467591789.4 867341182 109571168.9 583120331.1 478690223.5 463265889.2 605696224.9 424988500.9 348391312.3 656617563.7 969560687.1 673720106.9 187133620.1 143646062.9 165193062.9 162107706.2 148084794.6 169062017.7 273630021.4 289902818.8 235114221 520315669.3 234049286.2 20827496.56 19422309.23 12254135.11 11285995.86 19048190.96 10570879.44 9988669.162 22450490.21 8034239.195 10656574.45 23300258.63 9121501.853 29187094.01 38477460.85 30408350.86 11249821.98 19611322.41 17553104.23 8364650.015 25573148.34 10798453.12 10264653.2 13173559.42 8539612.741 9393700.453 9882010.821 16321436.22 21247410.4 13541603.1 9278737.284 Glutamine 956996063 373584701.2 946993326 358247243 1050068116 1085849130 766055702 1233862883 1219645569 160142726.9 848223202.6 900785556.9 582869560.6 989208598.4 685459683.6 579946564.9 897879902 1116823058 1085922802 234004112.8 173834829.4 424528338.3 270385377.5 158750758 282457604.1 603929072.4 582629801.6 399643915 691453813 418378986.8 284241192.7 491902154.2 406376588.9 432429763.2 238305451.9 264473432.8 495110626 668265527.1 232687441.7 229920665.3 212475230.2 253755437.6 200114375.9 137998207.8 158722648.9 243293400.5 218290142.8 551768346.8 378015043.1 417926465.8 166010339.3 182942370.5 148850841.1 136024159.6 325855470.2 205212711.8 119887777.4 218341116.4 128201855.1 134676185.2 Glutathione disulfide 27525058.29 20444690.32 87636818.57 25207144.16 36640890.03 23971490.13 57898907.39 70492841.78 63224513.79 22894525.85 49560028.06 58319921.03 58702983.97 57855948.63 44223325.56 83670514.19 65866994.17 129513707 85146659.7 33667217.61 36990230.22 39010485.01 13627102.74 22858782.21 32160718.66 39600439.54 69446845.44 38145682.21 46634660.3 31778266.12 1541919.04 1089996.26 1332362.493 1591087.925 1022695.144 1760423.279 1014397.322 3790979.562 1128852.524 1559886.234 2586075.374 138200.6908 1801339.073 2853619.742 2629066.351 1316539.739 1866985.469 1199229.518 1955912.098 2766430.606 782529.6228 2259180.016 1399287.032 1372704.685 798986.443 1341317.901 1034120.335 1957147.76 1392832.338 917823.2476 Glycerophosphocholine 1505849469 1009607846 5200093949 921457928.4 1979267507 1889872402 2725494190 7201365789 7613827891 1301415096 2828507934 2192408187 3740476676 8951139332 7681331292 2097898691 2412688543 3836946910 8625065946 4878184549 11685320877 16544542019 7630176923 9377667440 12167147665 22282785125 21286915586 21009949191 13560249020 19252943499 1711182232 1679708603 1815139034 1632696125 1796899355 1627419113 1876088758 1391778459 1987246269 1558083204 2359832356 1260313592 3355324177 3417048940 3134000222 2335950895 2069419084 1748505617 1980184373 2948801566 2993385367 2886553979 2743939907 1671604192 1751246140 2021249247 2542082430 2322976092 2629642746 2286781735 Glycerophospho-N-palmitoylethanolamine 104986969.5 52907845.49 138962344.4 110757511.2 327480043.5 300661513.4 103784740.5 307610543 118830138.8 42892498.5 80241343.12 248894162.7 211050871.5 286245778.8 289078703.8 81405477.43 142122976 119591702.2 292705384.2 73358666.78 47998635.77 55037483.7 60607133.12 49060005.78 222011963.2 43481556.99 40838389.48 32209479.67 296489551.1 65751207.96 144638560.1 184103600.1 163755759.5 148834093.5 143818529.2 216414977.8 253810637.7 224056252.3 237453807.4 148098115.6 145404653.2 231728551.8 141924205.3 132435311.8 216950347.1 194999656.6 177274352.9 249897739.7 159994133.3 140347525.3 114389424.8 152482168.9 124080867.5 177968284.4 167641069.3 160851852.7 136965442.1 115999345.6 135754207.6 110208749.4 Glycine 20406414.82 7669868.774 20113089.82 4997172.86 16711086.96 15022146.81 16476076.96 21162245.25 32867628.04 2023411.099 18069107.59 21891929.82 30792681.92 56701039.4 39190874.79 12765148.74 22525916.17 28564802.79 55911776.38 6212187.743 4913820.865 8323074.816 5178712.726 5704173.091 10142416.56 29080004.24 24469391.35 20857723.04 25143542.8 16865113.99 1050406.434 1094859.775 428432.2712 435344.4898 822981.2122 575116.8004 448997.2413 1008478.006 393079.8096 516244.6812 603053.4632 500723.9181 1186502.866 1179776.456 1018810.407 572203.7082 734401.2117 569434.5599 674379.0254 1435801.73 775330.6108 893929.4807 771723.1532 644355.5448 708145.6523 1047646.324 658557.6329 1407268.451 854334.6524 810791.4518 Glycyl-Lysine 12857167.64 7117337.672 24240212.08 3814979.997 5078925.249 1741353.026 10621918.76 11664334.11 6781867.752 4925919.98 11170214.62 17112767.26 5092080.44 4202742.587 7947458.319 17474910.83 8224719.855 6888546.231 20405317.43 7662322.617 6384087.635 15134175.78 4369317.783 12514239.08 2594790.787 4953459.161 2641867.559 1488946.128 3980878.464 2637476.161 1875333.97 1537945.526 925541.3918 1075160.396 3868532.967 1139128.209 999567.5656 1375582.827 681672.7327 748500.6212 1016033.056 580678.2381 900283.8162 1010330.705 1024367.178 670824.7713 1055748.47 872742.8567 845911.5915 1149966.691 709360.1772 906656.8329 696495.6157 1349555.236 697729.6556 830783.7756 1261270.815 745447.5215 1250890.765 1200819.163 Guanidoacetic acid 3889722.576 7334361.604 3710998.032 7462918.585 7603806.892 9312835.689 8428418.477 3545923.217 8343536.072 10489024.83 4044485.971 4989025.101 11272671.33 8386620.456 4992559.691 7961893.136 6319014.178 7656130.084 16700323.18 16057130.15 8923319.964 17513596.43 9256405.041 9779021.763 9802747.897 18149032.28 20787924.48 15374347.91 11768096.95 13344242.93 2871650.698 2904609.728 2405428.086 1731290.505 2880037.724 1516264.58 1260323.617 2038289.848 1328181.079 1895017.118 2029998.316 1244049.744 3061638.541 2249297.621 2995214.202 1661295.163 1738152.036 1583175.628 2256950.706 4711935.468 2521286.548 2261903.895 2265856.826 2025780.907 2898496.696 3251556.293 2235218.35 4550507.419 2921757.017 3236840.643 Haplamine 5425861.959 8610181.289 14258580.92 10832695.99 8954450.055 9758865.767 12941905.87 23886105.26 16308747.55 20529607.15 12729826.08 9220904.735 16901920.77 20917034.67 20374823.54 11535378.05 4305404.809 15533936.58 25214168.19 15759773.18 41378722.09 55621986.65 15928389.61 44064240.35 65267347.72 191398833.6 207493630.3 150792072.7 79043141.05 104673073.3 4384972.888 4499256.488 4422854.531 4322255.036 4189221.127 5325900.67 4996432.068 11148005.68 5159071.608 11027077.88 5865425.072 2953290.218 10565500.78 12764078.67 8704964.284 7567016.481 6987039.506 4922349.158 4802352.643 6021453.737 5499368.885 11282835.17 7383853.602 4129838.589 6445676.128 5501769.889 8309468.577 8100336.228 7926324.965 7807798.101 Hemin cation 4960798.792 2224590.48 3587096.404 3819569.82 25440359.81 8177981.191 2357975.643 3803634.686 1937897.757 993417.9923 12392038 8782241.836 1238109.04 7738868.584 8627277.699 1838329.894 10981596.64 3327591.143 909746.2063 2134069.169 6968235.614 806036.6401 3179343.901 7833415.539 2007619.295 2789780.153 2222730.97 2671097.705 1465550.752 11280729.7 2434947.301 688912.4977 1215902.987 3170977.002 1362568.316 796019.5664 1454043.321 406970.9941 643741.4994 774540.4672 689595.787 593303.6455 1531351.092 576931.1475 444527.254 829819.0456 369130.4185 295344.2537 371751.7209 585015.3159 815298.2484 206146.5531 1207028.116 2077802.653 919154.0718 1029351.94 643734.4397 627489.9828 714614.383 889759.3254 Heptadecanoyl_carnitine 44755459.53 6729243.791 31920721.33 6736682.396 48884408.55 31665614.24 26083881.01 43784273.01 29803201.5 2556777.583 29117903.01 45514602.67 15343576.2 16374013.74 8013935.045 28446329.62 26723786.49 33389680.98 35842779.35 5781133.403 11825420.23 13727770.67 8801965.124 11117869.39 15426946.33 20297535.76 32716623.09 22763776.06 32287177.56 20114828.92 4447554.373 7042888.798 8330825.169 8211472.028 3560989.314 8661099.558 7370021.947 10010894.45 6276867.906 4156845.034 2765666.116 12404851.59 1789928.504 1761276.339 2216253.707 5152934.737 6537239.896 4918664.019 1881830.303 1862038.647 1836718.178 1656384.627 2250482.479 2163637.535 1667365.683 1919757.156 1859423.795 1609487.423 1849822.016 1772981.136 Heptadecasphinganine 5404411.165 807905.3733 2968793.249 942822.5931 2773763.85 5543685.929 7312611.789 3166487.087 4510776.622 747352.6937 2768140.845 5158900.709 3813376.185 2833482.373 5882597.662 981255.7714 4324946.65 3120724.874 3549752.176 1185897.629 1594956.953 1327343.647 1006595.667 1458847.458 1171946.223 3869296.992 3903821.393 3366943.747 6702591.647 4086609.884 13053425.12 11323738.45 16367157.48 16814724.28 8671731.355 119957431.2 17398200.49 21406722.16 44125078.93 25800941.3 6795347.268 5445619.124 8670604.996 10449307.04 22549040.49 56367717.22 7937177.345 7240169.182 15138725.89 10441142.82 14743987.71 8724971.215 7708821.257 7603370.157 13658085.95 22465847.12 12155970.27 9272171.314 10779095.45 14950320.13 Heptanedioic acid, 1-(2-cyclopentylidenehydrazide) 108291612.7 18606184.37 82048254.71 19943548.1 63601545.27 51746997.09 76008998.19 72293819.04 83630161.1 11921829.23 68170334.84 74403999.25 46908510.87 77235085.62 51837202.58 50113631.98 81247642.52 66960427.49 92441875.93 21065075.39 16647391.68 27273657.11 22292165.25 19811367.09 32911609.7 58986982.73 51638871.86 44328114.02 82952790.16 40189313.97 8645446.11 7001278.396 1870505.402 2214637.244 5140610.65 4141314.083 3332577.256 10255549.16 1649321.503 3731464.778 3631897.161 4661181.992 5092205.184 3155076.33 4552791.665 2479862.523 6842121.444 4921048.637 3077599.778 3977808.694 1446221.859 2205522.965 1967253.763 3123598.046 2023206.875 3635258.452 2080294.457 1938908.757 1676588.022 3424040.368 Heptanoylcarnitine (Car(7:0)) 5507811.191 1108727.992 7820779.298 851354.3345 6237151.955 5126225.742 4594510.928 15227269.93 5911145.581 417547.8186 2843697.641 8456194.242 4655647.829 3015256.455 4631233.686 5581919.666 3331971.928 4316240.814 15152361.62 1944074.396 3936593.938 8860480.515 1014962.127 7671983.361 5446393.488 7088232.573 5352008.5 3623713.871 5061440.237 5417889.879 1091812.371 907058.2831 928543.2156 748302.1339 864793.9895 1149907.482 844410.0345 871548.0789 797113.2271 941856.0393 812350.5576 926249.8701 731669.9756 630516.9968 667269.7551 735120.238 1127156.781 1184643.453 838629.1706 704925.7106 1161361.563 837374.8705 1123783.099 836779.1426 825183.0031 654311.8853 704628.343 641334.6705 806160.5496 904247.4868 Hexadecenedioylcarnitine (Car(16:1-O2)) 1024919.569 60716.11972 771052.7579 91510.96105 1225186.407 388678.0902 999624.3054 1220561.704 657794.764 0 1312178.168 672877.7515 125173.9213 132605.0076 109844.3634 753936.1545 335094.7356 136075.9489 1779300.214 96435.40405 274146.2684 700366.8968 315362.1793 291529.3538 533994.9782 481120.6481 731097.365 595827.8504 1130018.001 250675.1971 2310400.946 2911218.667 1502656.619 1372190.233 1927710.771 1298334.577 816331.5256 3982292.984 472068.843 433607.4718 403541.7579 2674956.02 643429.9058 389085.3213 565006.6019 560911.6765 748783.3213 517650.8413 543933.6812 923302.7385 771628.248 594516.2983 632646.537 558729.1648 706424.6132 880968.7242 816989.9617 746433.5476 902561.3704 635117.9999 Hexaethylene glycol 7626285.95 5890462.834 10158230.69 3145196.102 6713001.59 15116632.31 23716855.39 10141458.65 15657913.71 3574666.494 11892984.2 23348607.13 4487054.128 3850880.491 14737770.93 8519590.362 16122164.13 5180032.979 12063269.3 4509345.119 10784879.12 9834684.124 3597110.899 4555804.512 9275412.355 13924893.49 20449312.07 7063488.45 39141477.06 19925516.36 9601456.331 20206961.38 21873987.66 19554525.23 7046771.522 6807900.391 16597382.18 12913723.06 16477501.91 14018382.1 18278831.23 20400486.08 5843464.717 12971762.44 10509220.73 16125911.58 15767185.06 11094413.38 15540367.25 19020855.39 13135547.26 6013514.847 15721789.48 17595302.87 35854993.68 13323250.82 8995779.042 23506196.55 6982277.461 29495739.24 Hexanoylcarnitine (Car(6:0)) 107958063.4 24181727.52 153229511 13110509.39 94472601.63 45015778.17 89000322.67 120802620.1 85143287.83 5800231.569 97588626.95 91348804.11 59420778.67 36885658.82 27893446.79 130005180.1 65814154.89 135701980.5 135425884 21090725.19 39203952.92 64358691.48 11999840.4 57006743.73 48853512.51 39538995.26 60745280.56 42784306.16 36085283.85 33538902.96 18203648.51 19924316.48 25568838.4 21088459.18 18525806.22 31010940.88 22489613.42 13252502.75 22160749.45 22147668.14 16838476.36 21637238.23 16666698.34 13163951.78 16675880.87 18172618.29 22835543.97 37591507.55 23649863.21 20030902.49 34954574.76 17909691.39 32671747.77 27722115.53 26325484.06 15722589.83 19142161.65 12815751.23 15459009.64 30644371.93 Hexenoylcarnitine (Car(6:1)) 7016978.97 949266.9268 6395250.613 839566.1838 4550960.118 2469223.03 4527600.267 4888025.334 8049550.689 992281.6715 4285543.189 3204192.875 6529248.248 6187759.44 2426886.16 3771723.59 3720444.885 6022164.393 9169953.821 1574854.943 1885680.575 3646930.366 1741507.508 1644251.504 3850892.314 5054878.163 5953745.806 4264969.124 7394118.114 3240379.092 1885061.29 1828138.831 1824036.555 1529245.812 1611283.81 2442911.247 1750453.557 1461300.736 1596746.925 1745287.382 1773858.589 1162257.975 2057734.107 1623597.084 1633532.969 1405274.001 2132798.04 2518915.456 1890305.644 1379303.746 2391935.287 1790451.893 2386386.816 2136678.205 2138567.602 1440938.907 1608872.352 1342017.147 1468254.118 2004090.663 Histamine 441321577 46547311.09 330930380.6 71766268.77 123905156.6 93566480.43 232058160.4 274577568.4 438862329.7 69841012.62 749801746.9 213607409.4 104154428.2 303474503.9 77386277.26 114244149.4 320209905.4 93522436.05 115515546.2 46520692.72 12267700.82 62050394.35 39684325.76 91753126.84 25016472.23 55564203.29 17130675.79 35199128.49 30675535.95 26106334.67 17321164.81 35185466.56 11409912.43 15342484.78 20205030.41 17533640.85 11982099.93 17780430.45 17523626.56 20107892.89 16689596.06 21517274.91 26324623.33 22455047.8 12185751.14 15681168.89 19876503.38 19324657.15 15094678.1 14961979.21 11992551.45 21672292.92 13244539.77 22211557.71 31087235.21 27550482.92 10757172.46 20318144.76 22844363.38 11039455.82 Histidine 62226380.32 55562666.22 220184507.6 17228688.9 137254653.9 104845032.7 109576267.5 168442603.3 145114975.5 13992253.02 93872972.52 111854789.5 37041116.65 186271505.9 71968850.12 47481897.53 263087552 141368079.7 89525596.89 19789408.53 18745806.8 14034460.29 21775905.1 18044004.17 11897062.69 55422814.63 50489522.84 39894586.76 145168945.3 27511837.23 3813418.676 3513260.249 2930001.896 2474196.234 2527821.4 2890465.469 2504987.454 3809801.991 1350024.524 3043673.262 2881391.863 1286118.948 48625.2038 2582636.844 2512349.048 2846398.414 3503747.665 3268649.66 3083834.282 3411600.742 2851003.004 3799907.64 3216781.834 15949.39042 2764406.077 3543627.51 2584690.886 3811939.025 2131715.677 2493367.702 Homoarecoline 3971869.105 5207080.928 4625512.532 3796223.956 2112107.481 7408539.295 5701785.745 4288122.161 7151250.701 1786753.651 6472588.246 6092690.558 4110522.893 3337076.135 3280305.419 3856739.357 5833786.317 8220428.624 5696218.016 2341265.695 3844899.901 779564.4229 1240370.016 2532026.313 2674467.579 1309152.36 1411837.284 1330347.095 4629967.519 3557923.474 896271.0151 1441540.148 945254.5686 1311841.762 1668526.63 1410474.609 941801.1286 1151870.67 1404348.493 869499.7894 2092634.978 1139095.637 968331.077 4397316.168 3323259.275 3845860.942 3107873.364 3802174.836 1233705.077 1946642.781 1136918.776 1394698.647 1733826.677 676733.1702 1097227.717 1361398.996 1345879.93 478293.9116 1764954.503 3041441.13 Hygric acid 3607539.426 5021305.9 739107.0402 6456539.392 6966461.183 5283559.975 5792661.027 1054296.606 4185678.907 7162296.504 853000.887 1409995.391 866761.2829 2239298.245 2663442.663 3295916.998 1271990.068 8292804.194 3086018.933 1453992.412 4242869.484 999565.0042 11471457.73 988103.7198 1036742.413 2417705.505 2131253.22 1907592.707 3801879.212 2013815.662 14899717.06 11360360.79 6243526.72 6180137.749 14810900 9917308.866 9262617.005 8080444.881 9717909.423 13397412.27 8156729.983 10837205.65 10511923.27 10379386.95 8984075.644 8156081.09 11315014.02 11581667.66 19627702.54 16847302.17 14340211.9 18149898.16 13011502.03 16333681.61 16380125.2 26873199.68 15991418.95 16922610.16 18173212.44 18436730.31 Hymexazole 2194137.404 7737481.389 1285851.1 1986547.966 1651218.831 1890708.936 1893586.884 2321404.709 1611360.218 2507776.554 1849310.026 1822776.797 1715201.178 1623600.031 1239962.798 1946779.058 1679629.705 1882839.536 1641074.708 2502340.369 985562.1268 5994455.838 2192900.683 1291036.545 781890.7247 741689.8565 2231376.285 2544837.052 473656.765 1151228.42 1673807.01 1580820.731 1443070.575 1031128.374 2268407.215 969047.6273 1090554.766 1796386.379 942256.2239 1615477.658 1514285.672 1069694.372 1478084.784 1520462.23 1369439.681 1127823.533 978340.2041 1349024.228 2078453.383 1796716.538 1217895.089 1549907.799 1116470.094 1181550.62 1489074.78 1591518.743 1453391.447 1721306.579 1627715.918 1268952.582 Hypoxanthine 5725908120 1135915886 4831930250 2008130764 5129893680 4215615713 3975271416 4360562655 5716999122 1262971465 4516936206 5109565441 5522356658 6286097026 6409856151 3260100176 6064454547 3660793635 6850674677 2249179858 2068670621 2687213593 2614491956 2018118934 3785422383 5964399806 5455436231 4618369190 6103510591 4662155332 1173053.487 1440231464 824974.412 108616032.1 445680356.5 3199067964 2784466601 422690.6277 3586167571 2006256828 1621869932 3454882157 791642.5539 25897738.28 80132185.7 1722108281 1753054970 541365.9832 724408.7362 792697.6652 310169.421 573917.9929 778602.7921 312946544.7 1071266.817 637847.2689 736189.3402 1072950865 1051492.227 457367.7073 Ile-Leu 45091650.89 12919850.37 61768967.8 11879222.05 30741961.93 16367443.65 33351564.07 83174273.8 33804396.62 12696137.09 27778919.22 48115678.44 28004781.61 26192920.67 44361244.52 70642723.29 25832613.41 17714362.05 139036436 60165554.23 82836680.2 66554005.53 41627570.46 66175941.01 86662711.27 140269889.3 85492173.53 29049548.23 163248316.8 64067149.83 243429.2502 0 0 0 0 577317.4105 218182.1775 1294850.237 182204.813 376511.2351 254868.3675 0 0 124234.2534 199363.8661 175152.516 231045.2939 455627.9489 0 0 0 0 0 462686.4763 0 0 0 108454.9141 0 0 Imidazoleacetic acid 1514773.104 1712744.933 4377185.731 1690429.747 1811808.549 1047952.116 1335626.908 2840001.203 1417163.085 1278849.407 2162623.883 1983107.23 1343452.351 1285860.027 1524785.508 1251188.385 1188137.842 1040868.724 4536422.13 2882991.314 1560714.363 2223697.753 2045017.358 2396054.61 1527102.563 1800906.929 2402430.515 1555826.401 1624049.008 1569917.804 2749899.496 2233735.246 1377238.471 1911945.128 1802263.171 1800822.858 1392492.182 3798051.824 1591746.548 1380757.098 1406504.941 2060685.171 823064.6995 811917.2849 795282.4344 1192134.568 1610080.279 1174614.213 2011951.201 1309344.189 1635188.979 1632276.555 1047570.675 1308155.669 1091170.264 1162785.151 749798.5323 936450.5839 958925.2203 1024352.191 Inosine 557837042.2 236716539.8 584583135.1 213171811 319965980 244524008.6 376889973.6 446231404.1 617811740.8 231926726.3 363559172.8 433138053.1 396211726.9 419871106.3 368006842.6 436340046.1 409882099.9 362707516.9 521498867.1 356388249.8 465647247.5 330527011.5 291721423.9 277001229 347421380.5 297565184.8 351780915.6 368686955.8 475605021.9 291226146 308420.8571 25281950.52 227527.8643 754862.0771 6429696.491 63732012.65 93462774.17 317827.3499 123186357.7 50187936.99 15735349.54 67208697.19 296778.2642 356675.1706 149912.6006 61456182.68 28294529.6 366906.9681 265489.638 374054.0549 144232.3407 287437.9008 18034.07259 10536583.72 276584.859 163435.2979 139602.2204 30552819.24 236836.4861 151553.9657 IS4 28386064.45 10388993.5 26634429.24 11953358.36 39187668.31 29606896.67 31218800.15 34256493.31 26853939.59 15042134.16 29765339.41 27497067.38 18310453.34 26252810.7 41052246.65 31179947.7 34384491.06 24387729.85 21614204.67 16151875.79 19697765.65 15685107.41 12761834.45 24742332.26 32280463.19 23517822.47 21301730.38 24818229.56 26693037.71 25388080.47 26471988.87 27220784.09 26768112.21 27389792.71 26400319.59 26923151.67 26361606.57 28943285.45 26117375.49 28275002.76 26072307.7 26757965.64 26164902.37 26105445.72 26242523.24 25653828.45 26632786.47 25573631.09 26888740.6 25936609.64 26372342.39 28089423.54 26369544.99 26195548.26 25674333.29 28221236.76 23502246.84 25642499.22 25437004.75 25135164.95 IS5 610538370.2 200505639.3 624706591.2 242248699.8 649380360.1 657943211.2 613820097.1 628313887.9 608844085.4 197938177.3 591094767.7 619797309.6 471847607.6 582579396.8 604768109 524579105.1 631555958.1 619389172.3 547303451.3 263260672.7 316984648.2 300213101.4 213780066.7 316513092.4 526049553.3 628740250.1 622522056.8 600832560.3 580422548.9 636453920.9 100200783 121216156.3 135430197 138450284.6 99520039.73 147194939.2 148397935.5 161122871.3 135743527.2 141903882.8 144034467.6 144510841.3 65489229.73 63046707.29 63808267.87 123346897.5 119165722 141077978.3 131531115.4 115044246.1 125574074.8 148306691.4 131370108.3 122900781 107479175.4 110709455.3 98542875.25 96985927.54 111272725.5 110014611.6 IS6 65421253.76 24517772.07 68338137.6 28674087.04 78854892.85 85228502.12 71813241.93 67733071.16 68131957.85 27155856.96 66586988.7 68007402.35 62945085.66 75162711.04 92804829.01 63786541.98 71128499.89 69823527.3 66804355.79 33017523.96 43988623.54 35578516.44 24525133.82 40943847.37 64804194.13 94186420.91 80599057.62 87687935.61 74811037.58 90530836.43 53044295.48 57088854.86 65732598.11 65266768.48 58539355.58 53308756 59958061.49 53596160.21 62883299.33 59474529.12 65447873.79 55517481.24 65214836.62 56785485.62 53974994.93 62535544.68 57201460.31 55378767.97 66070751.04 62252496.33 69364654.13 70307024.41 66998031.19 59269862.48 61516120.71 63870186.82 63947066.25 63825584.31 63586961.9 72812330 Isobutyrylcarnitine (Car(4:0)) 986908882.5 295655450.3 2502653436 161238985.5 1173945503 625920389.8 942061981.4 1741474202 2152451376 171592544 700190712 1635112682 2744665707 1360748558 2873699588 897818581.1 737256055.9 869434906 5034250618 1053465835 1689263448 2188681002 230136110.3 2252114382 1304023715 1088017626 673204345.2 782678373.9 1196897570 685259095.8 99021603.9 120939999.2 65640829.07 58125077.51 86862864.11 88227109.31 86877704 34046703.71 61023274.98 81901156.48 61090738.83 59220380.97 99412283.47 81443191.31 105312372 83055112.38 87616005.61 79672274.42 119982637.7 63470622.62 129936494.2 172588841.4 115380125.2 137178730.7 123295522.7 112580905.4 87540248 85564479.59 80371141.16 113754917.2 Isodesmosine 34195140.29 18097708.71 28232466.06 37315590.75 15249909.59 18780759.91 28481442.51 25925806.58 43247541.07 4955051.777 28952974.32 18955689.8 16773573.48 38326529.02 31057175.13 22487888.67 44335244.67 37965366.38 37617489.73 25066604.7 37132090.32 25134929.32 21298605.49 29508125.57 33790174.61 25139248.86 28343449.42 26692356.67 37648481.65 28549744.49 100685659.4 206925925.3 188176985.8 191049624.6 118161031.4 194361662.5 280911186.9 177132000.1 176427343.1 78517993.8 58842445.62 602311774.8 51391402.54 41541564.31 57289918.82 100608346 136521128.1 175308942.4 76222207.25 48981749.42 59756910.71 141434962.9 77082822.33 112470596.1 140362997 54517373.55 52005176.99 31542170.77 38852166.96 40044659.46 Isoleucine 1180556174 331546075 1138872014 515189554.8 1624268028 1024294890 1079823831 1013189550 1355160911 229840684 1093968701 1257011237 552495184.2 1387544507 709407014.4 927405887.1 1490450536 1536367327 996734934.5 273262823.5 181314087.6 540980411.9 346268091.1 365201990 425772440 1012164173 1030369110 762178764.4 786714647.3 713548488.2 520387044 206244540 143801663.5 149350821.8 167628486.5 118048672.9 121551345.5 199510623.6 110535368.8 303469140.2 119337633.8 177586480.8 138919457.7 146105188.7 128855443.8 132323174.1 136912101.8 140098502 107350964.1 145489774.3 348259795.2 126117851.1 82515045.51 71509533.34 161681073.2 161902549.8 128252178.1 190877168.7 148838624.4 102119236.1 Isonicotinic acid 2190843.54 143292.2623 2245199.631 243632.1257 2006847.546 1964378.073 1043796.155 1439041.15 1167352.998 177690.5526 2278318.084 2847724.845 3173410.431 2895073.675 24984390.7 2785612.792 379846.7766 174107.3694 18170439.51 637158.9334 4295985.091 488276.231 431266.7501 1807370.563 1705129.256 1252997.899 731132.5188 1070005.195 3618432.307 1320252.883 234006.6332 317580.4583 358436.1822 249833.3618 245977.5361 407676.2349 269916.3856 232185.9354 433375.5909 463928.2249 335573.6195 276587.6527 540519.1754 424065.4748 643528.3368 301977.5644 103555.6235 225178.751 345825.2946 657033.5314 426411.0231 436473.4051 349704.6872 508446.5879 327451.1796 424631.6117 803920.2179 309398.4363 1054754.765 327344.0845 Isopongaflavone 3362034.118 703512.0489 3495980.024 1320823.995 4526204.901 2905501.237 3261073.266 2980757.427 4604038.449 339704.9678 3018990.173 3778778.302 2170887.294 5054893.562 2418816.718 2972252.253 4853350.968 4343739.935 2743112.183 561944.3332 315682.2819 1071341.896 468842.5559 437630.536 708084.5048 1319527.7 1245589.011 1352457.543 1433271.613 1093072.128 1453794.253 1596484.577 1151390.868 1230612.275 1208959.483 962340.3467 1109062.012 1934700.146 1068001.497 880119.7669 572852.956 2417965.24 868628.0373 914447.085 792338.3396 793111.4355 1441883.165 1011787.178 535458.3651 948135.3494 521694.9096 918073.7513 828732.4907 416116.2553 1058531.534 1019643.089 1350388.185 1298607.769 1353245.69 658690.3737 Isopropalin 53915918.42 32793946.64 70704326.26 22946574.75 56311905.91 22482126.35 63372684.54 44282948.77 76141095.89 11857885.02 52819409.99 68744122.38 26015211.52 73151842.52 48751399.05 40154143.03 72100010.41 84557649.7 61818370.17 15794765.23 9636900.036 39680521.25 21940892.49 14876139.57 31707274.19 66491545.75 80508563.4 41899137.03 52778787.96 62501317.11 9231104.831 3399754.774 2800220.237 2486801.421 2673921.534 2709067.131 2093269.989 7314308.795 2154336.464 1796784.206 4745194.891 2818646.98 5167337.498 7539178.632 6229411.393 3168434.527 7152217.829 3155083.236 1223726.401 5704386.335 1210146.545 1440151.077 2309276.148 1353289.12 1480845.31 1096217.502 1416146.299 2849177.961 1661071.273 1288089.206 Isovalerylcarnitine (Car(5:0)) 1174228163 285791842.1 1169143645 226967410.3 589980324.7 887162056.1 802588550 2886941948 1328195290 74101433.54 548013260 1796316482 1096837841 945083574.8 491398837.5 840360331.2 408112123.1 809739498.8 1771305997 290319989.3 193177546.8 592435869 102271751.7 406908066.3 478365443.9 734703525.6 411740421.1 425314682.6 921086035.5 509946190.3 119058016.9 80951202.73 34969052.56 39809682.84 66365713.12 47884319.28 49118287.56 40672441.08 37868026.22 34020486.72 46794833.93 38872238.18 93356072.6 71364571.94 80893146.39 46181727.02 74370678.98 67938149.72 42312458.22 86466177.61 57392321.19 73639612.25 44124977.86 37438018.06 73635662.18 53199358.44 46743077.63 82166133.46 69513137.63 40631945.95 Isoverticine 0 161183.9112 0 37144.3193 0 0 0 0 0 0 0 0 0 411615.1497 0 0 0 81808.32368 0 382387.4226 2679823.445 4475834.003 3823226.711 1596567.383 2746545.541 13352214.87 18158921.56 17354259.24 4022266.951 12656093.36 67108.7183 313212.9903 521713.326 1052072.275 345683.6033 674649.9372 1674038.014 532613.2216 413231.3461 404708.8387 200152.7442 2056334.221 119634.6828 347209.2867 158437.6189 636050.419 520497.9948 300894.2279 43295.42001 95186.42109 172552.2944 136832.2464 241255.4875 51351.74039 26465.73198 47784.43698 101154.8091 86164.08404 133504.6491 55389.80069 Kynurenine 16461243.79 4255209.93 19635677.47 2521265.734 24881660.47 40433983.24 24347945.84 50948235.79 20744204.84 509908.6384 19147469.17 16176077.44 19012514.14 2648944.691 10518963.05 10439504.91 21649523.43 23795963.64 3326677.297 277778.9777 488762.6225 685639.9977 322160.0577 270923.074 5760289.614 16279398.69 4846515.27 6392558.144 2739885.068 3404548.962 2815182.243 1811888.93 1810853.46 1799717.62 1396481.034 2161322.506 1239939.697 2798781.926 2130016.41 2612606.551 2028129.243 1581237.075 1881968.862 1425688.665 1579862.59 1620681.128 1609826.579 2268210.538 1235294.327 931251.1241 1834734.423 1551464.639 1059422.723 1233744.555 2605716.974 2665292.91 1748370.73 2023788.265 2090360.707 1985639.198 Lauramine oxide 124110646.8 24511085.4 124014578.8 30135600.36 137993723.7 139337583.8 123060926.9 119199802.5 116623887.8 21777219 91186482.94 109156845 91615087.5 115649356.7 107438015.3 91949408.89 119007213.3 119566667.8 104085565.5 32345871.73 42390035.85 39692408.72 25515154.54 40234142.27 92282399.21 160091298.1 128079463.1 140278575.6 117750847.5 160563181.5 2599920.639 2949031.043 899568.5565 1435101.007 2102122.911 2204134.596 1814512.982 2809221.423 1723604.089 2988234.593 1202001.114 3717648.558 1272736.983 2631292.782 1137145.517 1277371.057 1308629.458 1713153.295 1211545.673 849522.6982 276820.2473 814485.8502 1545239.208 1019725.598 1082427.354 951982.6007 1395491.297 1095998.112 732935.7129 812828.8921 Lauric diethanolamide 2976468.541 4894770.36 2560837.58 2695220.878 5182343.202 4972158.571 5110830.66 4231258.107 3109821.381 5408652.366 4444489.699 5652080.301 2625597.846 3087669.641 5802842.376 5410570.31 3392722.322 4914695.351 3384380.712 2574710.749 2616656.345 4662818.99 3562856.34 2930559.151 3314287.904 2738178.108 3108549.326 2902225.061 3827995.133 2531811.052 1458853.121 1692055.682 1554767.135 1701380.553 1396099.792 1707278.601 1567541.538 1714647.417 1590899.303 1522955.78 1484639.294 1909684.436 1390311.896 1456125.251 1333277.472 1518289.31 1523611.898 1506882.327 1455166.642 1398142.273 1438986.812 1688946.102 1562021 1488588.902 1493654.042 1502586.44 1385005.256 1550049.776 1454456.227 1441830.879 Lauroylcarnitine 18583493.35 5718530.071 14712789.89 2726924.992 41011342.18 14022600.41 14909721.7 18838892.61 6146926.01 401856.0515 12546588.55 20759399.4 3347078.076 2713274.002 1575570.897 19779586.29 10266124.01 18211944.6 23593783.84 3867849.796 7947682.133 12574214.61 4078298.715 5942527.797 7106780.11 11186220.04 14395041.12 9269499.868 5926123.068 6644004.951 22235001.76 19488859.23 20012123 15776335.89 13123308.21 19861413.96 14167294.73 17439613.64 9887131.539 9197769.656 9120243.16 19311749.72 14850370.12 16136000.77 14192569.37 15263944.44 17079694.4 20274588.33 9688133.343 14576703.24 17616025.22 9114630.975 20701233.36 14967687.97 15131091.22 10799382.79 12922253.9 7060348.539 9979654.659 16130243.32 L-Azetidine-2-carboxylic acid 3151274.578 1650754.85 4084448.808 2579091.3 2089455.123 3050657.437 2775647.961 2273954.083 2562310.762 1874356.386 2743805.895 2346722.951 2665894.442 2630471.939 2220710.384 1923135.56 2501867.832 2844507.944 6359777.548 1901691.86 1664560.119 1741459.637 2311802.933 1806605.556 1568116.267 3247828.084 3588848.817 2503097.921 4452681.263 3702178.722 3156875.681 3554436.416 2716263.814 3108105.4 3005142.419 2823229.44 3026590.954 3508211.736 2679007.425 3060693.118 3067021.608 3270875.216 3071707.655 3494745.32 3477965.666 2909714.144 3277291.519 3206324.568 2619639.767 3105590.708 2982170.307 3210884.613 2929476.831 3027139.224 3015996.879 3030578.533 3003365.875 3292110.776 3833994.333 2686669.795 Leucine 1180556174 331546075 1138872014 515189554.8 1624268028 1024294890 1079823831 1013189550 1355160911 229840684 1093968701 1257011237 552495184.2 1387544507 709407014.4 927405887.1 1490450536 1536367327 996734934.5 273262823.5 181314087.6 540980411.9 346268091.1 365201990 425772440 1012164173 1030369110 762178764.4 786714647.3 713548488.2 520387044 206244540 143801663.5 149350821.8 167628486.5 118048672.9 121551345.5 199510623.6 110535368.8 303469140.2 119337633.8 177586480.8 138919457.7 146105188.7 128855443.8 132323174.1 136912101.8 140098502 107350964.1 145489774.3 348259795.2 126117851.1 82515045.51 71509533.34 161681073.2 161902549.8 128252178.1 190877168.7 148838624.4 102119236.1 Leu-Ile 45091650.89 12919850.37 61768967.8 11879222.05 30741961.93 16367443.65 33351564.07 83174273.8 33804396.62 12696137.09 27778919.22 48115678.44 28004781.61 26192920.67 44361244.52 70642723.29 25832613.41 17714362.05 139036436 60165554.23 82836680.2 66554005.53 41627570.46 66175941.01 86662711.27 140269889.3 85492173.53 29049548.23 163248316.8 64067149.83 243429.2502 0 0 0 0 577317.4105 218182.1775 1294850.237 182204.813 376511.2351 254868.3675 0 0 124234.2534 199363.8661 175152.516 231045.2939 455627.9489 0 0 0 0 0 462686.4763 0 0 0 108454.9141 0 0 L-Homoserine lactone 3579410.031 1093889.106 2020940.189 1520355.735 2360991.768 1326999.481 1193427.769 1866671.92 3802336.325 441958.3697 2015521.284 3281821.915 989623.5194 3310757.234 2768172.461 1389391.42 2642424.537 1880295.273 5261936.567 1485929.568 706565.7154 3054202.277 1462388.523 1170122.237 825709.4214 3386585.485 3578554.19 3492879.744 3079988.673 2087903.874 20395371.17 20649068.25 23154292.33 25022955.5 20501884.99 20809278.18 21938458.54 19311597.28 24436474.4 23068655.7 21810353.99 400249.6999 21825015.95 19674772.43 22977854.87 22876115.11 643097.2773 22867204.36 23805359.56 771944.9638 1523797.703 21363817.68 19132216.17 21309166.34 21547826.74 759353.9985 1646102.413 19893456.47 23325548.34 1326922.144 Ligustrazine 986697.0214 932507.0304 1610245.471 1063763.296 14022948.99 4163477.716 3169033.631 2310015.209 2431879.039 1301546.021 2188220.203 1780211.49 262602.2963 999992.4911 1059656.818 1432782.453 1331987.262 1881080.021 834708.2764 1124038.204 1817601.753 1292487.014 619628.7416 2783939.316 1450655.093 695565.2339 1139944.14 753644.06 995530.0304 1032111.233 952672.4694 1885526.243 1277637.781 1572524.556 561968.9779 1757360.367 1824397.799 1384545.221 1650889.074 968690.1387 832631.3488 1575898.758 578608.4595 646547.6993 615347.3513 1009661.054 1254133.108 865872.8064 896063.0249 1254878.311 472016.4547 1395905.011 1196483.684 600404.458 1411973.286 786911.5334 1032091.411 1575375.623 983701.5362 694031.1032 Linoleamide 9125873.589 11263902.26 8334545.709 9350755.811 5066064.223 9090411.37 9206991.491 11705624.41 9452323.49 4555734.776 10943584.1 9423623.769 8665982.13 10805967.93 14603668.89 8986586.817 11045862.38 12130593.38 18326137.81 6815578.314 9362647.954 6003300.915 7146258.719 9913982.635 12749402.31 28621943.48 16437720.39 15163761.08 18040569.64 27981482.05 2846552.816 2349358.623 1776372.702 1716223.198 2061774.453 1722837.858 1367085.769 1564647.15 1510630.645 1426149.847 1261379.319 1007433.677 5487959.582 3246016.675 5013561.382 3292762.152 2322469.601 1845109.795 610595.5722 2909135.528 2854943.11 2522372.534 2643316.223 2397293.321 1782933.826 36912430.76 2375278.029 4721947.848 3764436.057 3517949.873 L-Menthone_1,2-glycerol_ketal 19772426.4 1665548.538 29331122.83 907374.7734 6663103.605 15717808.5 18482398.76 22325580.37 26133296.81 1344210.871 5092724.222 17013630.51 15844462.19 5205683.976 12510500.3 4045137.408 14672607.24 20175609.5 8655160.606 1908354.255 1411442.291 4055567.073 1951856.296 1110883.874 8671636.643 20679416.52 46947985.96 34927400.98 15787028.16 17018422.71 989564.4358 1447951.388 2534835.582 1938407.42 1274243.745 1807217.054 1936740.032 1809412.841 1794068.669 2374806.833 1880659.501 1616950.962 1082337.709 782743.1554 1280506.518 2007763.339 1425276.056 1999418.549 1112277.134 842266.7003 1327765.418 1321742.325 974452.206 655226.6804 1033862.795 952552.8501 523125.3012 1441061.781 733292.3064 706712.9953 L-NG-Monomethylarginine 37736232.78 18290169.05 34460459.35 36875123.6 28380901.43 17175284.4 53591981.05 36707276.06 81337046.84 11260565.63 56792656.86 68546633.75 36462231.28 82803453.84 42232101.77 40201426.54 97541487.43 50115890.78 41221140.95 17693142.42 6632766.393 18275937.15 25373037.46 12506672.02 14902632.67 43650502.13 18156184.4 29918520.95 23427705.31 31870441.81 27902089.89 20357051.78 13018403.44 12326406.96 21223692.28 7733337.125 14625223.65 17658376.78 11298044.23 20851661.98 7866721.703 8291979.448 23923616.33 30689384.46 25304698.93 9654476.706 11338547.8 14504417.29 38087055.5 16855914.07 31921018.24 36314096.35 35052568.63 29945219.07 33515224.45 35252937.63 28705728 33588936.02 33941784.28 28018888.18 Lotaustralin 15987246.38 2641499.599 14883645.69 5217129.175 9789218.302 20367380.34 9586492.71 10245974.91 50328704.12 16009560.1 15840401.29 11561595.95 39275981.1 39003807.71 50935677.09 4687463.259 25021699.43 14553893.45 37726782.75 7782391.967 13854025.26 16778287.26 7252084.06 5870875.899 29285136.29 60385324.02 62940653.37 47534957.67 48513075.54 39306125.02 23180768.78 17823755.97 5566680.171 9206019.724 14236921.61 11326928.1 10371767.24 19908722.55 7422273.578 9932602.759 9353631.038 12458292.56 7698707.333 9431147.914 6656867.12 7837178.484 13599318.1 9183641.693 5947999.937 8307051.335 5551012.982 4379229.488 5297798.776 7650925.617 8091954.855 6670742.384 7056724.557 6419725.775 9344077.029 6209022.887 LPC(16:0) 4267795128 884007087.8 4345754687 1779360611 6839997550 6826118096 4415002411 8629401809 5834168337 864366884.1 3404939203 5732020057 5499045093 6265990116 8693639206 2985648899 4467095188 3955719881 9014398226 2583028514 2147930823 1575457438 1718373548 1860210864 5614830338 1497742752 1434975238 1034442426 8418960912 1616454969 13045391181 21320977512 16012434821 17961822844 13508062955 22943593846 20944345500 22637414036 21662339948 20983077520 19103846408 21641022833 14752613363 17959375160 18788997558 17075934331 20000314093 21343556111 15801299444 12190612668 11833601412 16208860745 12375672647 13321953809 16090955905 16037613711 13390080240 17826041334 13260831381 16345822176 LPC(17:0/0:0) 119245300.1 23462660.44 79598879.3 37397538.46 151220520.2 160800046.4 92639614.56 171041262.9 123350854.7 18447379.8 92169155.6 143186158.2 122202565.3 155241602 241836769 71417099.5 102017727.7 85650849.83 240023441.4 69183937.36 66446046.17 48893740.58 50238402.09 51845731.03 158045581.7 25707688.83 33579330.28 18025283.16 264605297.1 35810012.38 297631706 358046544.7 312941937.3 384903210.5 280225735.4 426422174.6 376428407.6 393989423.8 437545633.4 472896526.8 442186584.4 606970939.3 327075155.1 389455129.1 359337658.5 358023082.8 419948526.5 545138084.9 318444903.5 287666670 374236717.3 405599817.8 290342016.1 323768106.3 324775987.7 373560295.5 342683512.2 354517904.5 351729535.3 429095567.6 LPC(18:1) 10791368.33 3152677.122 15319481.79 7110861.951 25958615.35 22666537.78 8212298.138 19485902.23 12807589.81 720085.176 7740321.104 31679967.05 19441463.19 6460015.794 63371304.39 5473238.951 9753737.511 5089745.112 39479403.61 2920625.537 3425589.42 4446935.811 2267547.337 3808583.02 13491601.66 13411882.09 1161414.236 6914926.204 40043624.89 8707418.503 31017002.03 46993776.91 34821539.2 56086311.46 37111262.25 38913552.67 86789684.85 43975798.99 41164706.07 60512394.42 79578297.06 38862128.86 49114154.46 59455874.54 63414874.36 56629467.87 66038726.98 40492390.25 36716059.45 49349877.29 52172321.79 51855593 41078792.64 37456385.02 37918296.27 54394757.71 35182808.16 36161633.67 39779195.96 36278010.94 LPC(18:2/0:0) 252506481.3 125792441.3 242678908.9 455924142.1 213619180.9 458010553.1 250070950.4 235623759.7 812568870.2 37863323.76 419371560.1 251728514.9 179356840.8 498324973.5 609706999.7 202732798.7 293700038.7 423029641.2 715769925.3 200276716.6 235816032.6 87084834.99 96801842.28 299428348.1 228501484.2 100458778.9 66009439.88 58156921.91 492050071.2 98641898.64 6973036288 7398897993 4636612182 3852973220 5062349297 2627251639 3993072642 6072910304 4534775327 3004090663 3661408200 3523334987 8353346312 12416534356 8792209291 4732590659 4598123580 2890548460 5382773682 7772043019 6573839944 7121064516 6358032095 8843578902 9482871016 8234144584 6776381167 6449140345 11124007381 6297198007 LPC(19:0) 322225.2778 17499.26052 127372.5538 29493.35883 215029.8424 181783.3677 113352.1846 317630.5806 207219.5521 0 232514.0514 268741.4606 61222.92222 277544.4756 456593.2399 35037.2818 51284.05455 82397.73916 273594.648 51575.24235 172261.6803 483075.2017 110660.9252 284957.7677 319254.5687 2250171.044 2123834.843 1642365.63 842797.5809 1301745.163 20465155.81 16128817.09 20290086.16 11938727.72 2839424.906 5215494.996 9672683.153 13012388.73 9497836.894 9833236.22 10696110.03 14316128.14 15505497.3 3042868.446 36013012.26 11225691.73 14013044.94 9424697.395 19086465.15 12826963.33 9516702.712 980918.8602 10823811.69 19327710.39 1171651.099 11031168.71 21589356.55 21330465.69 12620262.59 11331190.48 LPC(22:6) 67971028.96 29306690.41 54471060.53 82292492.33 61956266.12 102674137.4 73355496.37 62260580.16 120906636.6 6328464.934 87252578.37 50864746.34 34389415.12 99230688.01 95079875.64 35954562.35 91587559.12 117131493.9 179295973.4 59893117.24 108884526.1 75826504.78 45967461.24 95752880.16 149004052.2 143050677.6 97591188.42 79743838.76 176559523.4 115369335.1 862571.2665 1217298.771 1574832.521 2698384.282 1027411.413 1747648.912 2568733.348 1653161.927 1062307.087 1060290.255 719904.4803 2135977.651 1429061.694 324563.3543 1132024.284 871615.9193 1380433.183 2432437.348 2649333.874 1167701.422 1148154.037 1721852.261 1254067.261 2171596.805 525163.0541 535713.65 1703993.061 563466.0379 1763457.991 1004771.861 LPC(O-20:0) 13853238.03 1004606.07 13017013.86 1864905.622 8526807.438 6164371.288 12539277.05 9221222.07 9785717.015 1431276.816 9173483.017 6614635.522 4347349.304 16509590.7 13213776.8 4069890.688 9644229.471 11579240.27 18241495.94 7532233.36 43166076.94 50899939.33 22240328.66 20983726.58 15416138.03 71792564.7 91427441.35 71097561.14 29548437.37 52893832.17 13603686.68 7617063.246 11811385.85 4481679.436 9589569.88 3264487.757 4449770.83 20032466.71 3982672.445 21269425.15 35101180.56 69593264.9 11693001.29 19054969.46 17851302.02 8211730.158 9406613.842 27763438.15 15111418.75 14827204.61 15978714.35 12878134.17 7916136.63 11923674.5 23933149.53 20502287.15 15918833.02 19468811.37 21573174.71 11063715.64 LPC(O-22:1) 9600895.84 623064.3975 7951261.805 1078626.053 4962194.596 2400765.069 6893550.475 7044900.804 4802757.318 1070598.802 4573169.427 3937642.528 4807376.673 11883416.22 5744319.288 1936021.719 6660752.674 5558949.061 18119610.94 8410520.434 36485128.36 67631920.16 22722912.72 22124162.06 22358006.94 147960056.1 149966328 144778020.2 37412546 107351661.8 2878656.948 1050281.397 2497477.063 226421.2534 3214389.843 0 0 6287701.032 161467.1464 4456197.113 8387629.962 0 4374899.682 5634444.434 4570157.821 2753305.777 2004261.95 6186065.347 4373013.823 3766443.669 5193730.838 5223063.789 3397489.692 3495328.413 6114904.656 5756694.444 3926589.068 4828497.231 5791600.941 3990849.532 LPE(18:1(9Z)/0:0) 47028884.66 42493075.57 71256999.49 63931145.97 99788505.03 117592474.7 38895989.79 89422150.3 45903570.84 33852760.64 27427082.99 130671958.9 128467904.2 115864054.1 137649877.6 40103054.6 49983572.28 44759924.39 101455362 39263734.58 9883835.839 10439446.68 17793379.69 12213634.1 93774264.38 8118403.087 8528477.497 5487730.637 106122908.7 14883957.9 48274924.9 62979166.66 43386025.85 33304601.79 51077147.35 31306271.02 53307098.17 60732995.93 30977506.76 34410425.45 45813068.92 51585765.87 71380235.06 79707551.05 113530163.7 49796941.59 50150634.89 48493529.92 56973253.02 64316488.58 54055923.33 87786690.03 58275294.53 60447928.41 79401135.84 62963742.71 48064326.31 46218424.46 64861187.9 40848508.25 LPE(P-16:0) 379396446.1 145454917 389879417 284297252.3 390837965.3 388663241.5 313167156.3 752615443.3 361336149.7 127449082.2 212105138.3 608980652.5 411008648.9 1018979923 537561961.9 198103820.6 335347544 286531709.7 992449953.8 552602176 1047360888 2504467170 1129484840 1031358396 1482910705 4273258514 4499873423 4524061945 1727376702 4175734729 29718310.94 20532781.52 19530764.85 13742605.88 18869692.7 12202509.69 14848295.36 29515999.29 17855373.31 17804390.4 24689419.27 13934354.51 30640803.97 52534101.15 40718617.78 16305968.39 20777957.72 27229064.97 10066357.5 20553925.3 13231878.28 13373865.42 12987516.41 16449080.56 15403178.9 17174727.14 19733550.78 19022388.12 20898757.4 14754669.71 LPG(18:1(9Z)) 3472182.695 4874808.097 3178655.851 6147931.103 9427650.46 11017015.2 4219073.158 5645311.771 3677866.242 1826482.591 1526096.907 8124294.805 6044548.102 8181957.603 9136191.151 3982848.205 2308676.465 4072692.575 6677414.476 1734155.533 904196.0915 2269989.201 836031.5646 449926.1555 3003446.413 1803356.27 1342761.782 1437819.743 2599818.846 1467886.175 4469800.455 2624618.552 4876695.136 5453322.095 3096573.076 2460098.052 3824079.736 10291651.9 1644925.424 3234111.591 1409315.335 2237375.56 2022007.056 2041762.42 3460877.192 4215130.186 2549723.362 2535272.595 2307423.906 2346955.567 2513797.16 5113420.888 1960742.093 1987812.736 3212593.002 5458597.803 4725105.349 3831883.786 2669531.186 1680699.991 LPI(18:0) 3950338.499 610122.1845 4469624.376 874156.2366 3777105.945 4979945.518 4951759.289 7192077.749 5650155.013 425321.0953 4913667.074 4233617.944 2367927.396 6861958.13 3224552.249 3998370.342 4139118.272 5115862.748 5918470.869 886664.4071 2829972.461 4450382.311 811420.4272 2421265.833 3557888.295 1607953.65 4701364.927 1150807.289 7639653.439 3153071.467 3395369.784 2185680.696 2172186.002 3209695.777 2346289.396 3261693.263 2771945.848 2197034.984 2719612.316 2247623.389 3213708.618 4059194.597 4105226.327 6501495.623 5805217.916 2662222.734 4402466.767 3809052.52 1388751.076 2754160.646 1967893.603 1868293.746 1792988.163 1800409.533 1609442.562 1941228.329 2942958.905 2608402.245 2663084.103 1852788.413 LPI(18:2) 575003.7304 222963.1758 901131.4855 1073342.229 520165.2185 1145915.968 613189.8713 755789.1602 934912.7391 28021.75187 862758.0502 823634.3958 700104.7618 410496.0056 504381.4452 565435.9703 548668.3205 1032574.304 854831.2382 97038.45958 115925.3898 93688.59241 53186.09286 63422.65885 450539.7447 57260.38278 114517.5339 59962.72093 573680.8205 129080.787 2857170.605 1899842.303 1866150.653 321115.3151 2680958.903 364142.2868 2059150.316 3183097.573 1922611.155 1430461.128 2257238.339 868557.8835 10334279.09 9257704.69 12902588.59 3306940.334 4184921.031 2079629.493 2728345.577 6729008.805 4785800.584 3984742.216 4046230.089 2307438.727 2748720.721 5453448.972 5141181.8 5505442.357 6130531.134 4727171.011 LPI(20:4) 3979830.792 764022.2348 4077963.907 3252621.797 2482994.948 5686192.947 3998208.806 4400265.532 4951156.615 222965.7847 3947611.726 3536312.353 3996283.005 4129629.302 3227090.544 2354914.763 3022425.763 4483278.995 7354953.387 899620.4025 674550.6571 1110929.632 498497.9095 750118.5477 2661341.646 1568262.842 1187152.66 922321.1968 5800027.681 1264346.279 16334622 12282560.38 15342601.94 17659248.43 16257586.47 15636470.9 23973653.76 24598254.75 14585093.33 14050612.1 18728000.91 15217761.99 29341889.75 30319913.45 34582977.77 19501263.34 31970926.23 15288270.22 15114191.77 36860877.74 29602605.23 26361906.72 33042775.99 15578763.6 18184095.75 33537062.36 36752732.57 29715710.67 32819504.71 31892574.77 L-Serine methyl ester 32300702.19 6126950.704 25527976.22 14084017.06 26171038.59 9696120.924 18383378.76 22482491.46 34714360.91 4523397.624 22508813.49 25131798.39 12584460.83 29271911.49 21852566.04 9867051.815 29391984.65 22318168.01 57936384.65 15580540.83 4347640.991 22653998 11713311.94 12435970.01 12261721.09 44313104.7 42689501.15 44626410.92 27452121.02 25550241.07 4685590.815 13064570.13 6124459.803 2677221.839 5720360.137 4284485.449 3724665.304 1762816.087 6513164.358 8924520.615 11862920.34 3697852.394 8540882.805 3599886.024 11519279.36 4642948.06 3875116.485 6384033.813 20385128.93 2749714.473 5756786.716 5624647.508 11911048.53 14798514.77 13350295.91 14424271.24 26799416.22 12374908.3 21020145.83 7996127.668 Luotonin F 14374991.97 41903024.02 9637030.083 23566734.05 11297441.8 11969696.02 13200783.57 7379427.682 5536039.832 31676648.55 5283072.579 14028847.04 18667580.72 12567785.81 10357877.43 16130636.95 17312457.55 12680505.24 1936577.215 30533725.09 18158817.68 33993970.35 34632942.49 24246200.12 9171113.82 3543179.787 4989362.213 4017478.225 3627138.59 5515231.953 0 5876568.125 29793.2172 1456833.85 4593108.952 7459971.323 6993017.37 89879.541 7598259.841 2354924.415 3524629.039 10351909.31 0 526055.9621 1426785.368 3498932.461 3475582.798 44981.32288 45886.10818 31856.80164 44542.13987 38781.82127 21360.7555 796058.8471 54737.53071 75677.92429 61611.34996 2071411.924 0 45466.26442 Lys-Ala 5400375.196 4097191.534 21201952.46 3191706.333 2154324.755 1748390.509 9437452.508 9492669.571 5815606.505 3082156.947 4996775.502 16759340.43 2539864.381 4499414.213 3043971.027 14632071.43 5514095.12 8235897.966 24783663.27 6144261.519 2046562.995 14515910.94 2090862.708 7892874.636 971443.4775 3274860.77 3051159.867 758713.8174 2426643.242 4112694.632 2742224.422 2094083.468 2144386.346 863849.0139 1180956.62 951027.5315 2637805.041 3678464.72 607715.28 2889055.662 2113203.946 1611302.221 1251898.268 1433287.498 2427334.931 851054.7165 915331.3186 2076448.81 1151713.648 1616479.928 1180452.761 1319195.123 2557133.91 1174303.162 1331556.632 1440137.612 2639793.299 1459520.974 2063059.843 2566884.566 Lysine 155731260.8 37352157.52 120071224.9 76983563.48 118329620.3 90616274.88 94920917.58 90163026.33 147004060.6 31883499.49 114872429.6 117129006.1 55582362 132186811.1 74019237.87 70747761.72 164830136.6 140015961.2 97036614.16 48875852.31 15374650.29 35588440.15 41569810.63 26620055.1 25477300.9 70632284.5 69774931.14 54846282.21 74192246.27 52409632.71 213662180.3 167795149.3 139781074.7 119541890.9 171639011.9 101508515.2 135726980.2 141009339.6 125631501.7 144969979.6 116582555 114903941.9 86961784.86 147872615.1 119446547.4 99991326.19 117179554.3 142617774.4 177953813.8 259943387.3 177072728.3 189584916.6 198866067.3 151432009.9 172820599.2 150282883.6 142805717.1 199855299.1 153483975.2 139343111.1 Lysionotin 207022.5444 291840.428 1107076.218 355822.8811 282944.8979 433704.2293 192295.3476 332508.7563 298697.1912 424351.7966 280985.6321 207262.1085 212231.0802 624954.3486 1203592.452 752260.8027 506971.8565 381610.3139 2108352.65 440254.4461 248524.387 234672.9502 460128.4559 1398723.231 230130.1382 2716684.901 999166.7976 353175.1246 227473.7969 248175.0946 3595666.065 5518446.51 3239573.778 3748622.562 4171658.284 4333352.19 4959945.417 4437486.411 3578029.25 3907454.129 3219627.308 7124719.148 2776997.025 3396972.878 2311679.553 4045598.157 4006889.905 2537650.545 4350297.925 2641385.75 3451765.987 4710128.678 3830500.055 4703714.274 4303198.567 7593398.104 4624905.478 4462164.901 3472089.39 3911379.631 Lys-Leu 2281508.442 935341.3531 5222845.524 1219503.937 1079633.88 313017.3671 1783976.743 2492909.025 3149881.728 1050735.861 2328264.147 3603893.135 1063293.919 2077808.786 1976342.958 3198611.625 2151484.103 1394086.556 7528088.639 1754418.123 1440345.957 5473595.384 788343.1203 4629261.766 699647.044 1306194.16 622629.4287 5295136.693 835805.0448 434550.0707 2752833.917 2093770.939 1234153.611 1295717.61 1554015.625 1803474.334 1035314.292 2681133.023 919497.118 1033077.463 1183655.836 1256472.765 884135.1687 736109.0101 593770.4767 1144384.857 1474198.268 1242553.911 588302.9445 838671.1784 861416.3155 884953.3255 621035.8067 756450.2997 689712.5573 684317.8888 755356.2267 637816.2954 731307.6982 473717.354 LysoPC(0:0/18:0) 74895106.12 53960950.76 39263652.94 60053277.07 48606252.82 73217690.03 62044143.67 68418744.11 53677924.95 32328132.11 44748218.42 52899678.37 70459377.33 67732729.84 82630867.72 48764294.27 70388800.89 53083651.84 65432570.52 58234132.43 49701099.17 27183047.9 56682981.25 26235411.15 56441512.35 12531157.45 9475129.04 10211535.42 50079838.23 14652910.14 1940737.757 2694972.319 2494469.851 3693864.502 2025174.262 142750.1194 117093.217 3838543.71 2591892.824 3383279.046 2937228.431 2484823.187 12590537.94 3418026.587 3898493.276 2020625.555 5526238.801 14439904.43 161611.2305 13059993.68 16382226.12 79534.05198 15683081.79 2782851.086 2526552.417 3509345.069 2293202.963 2768334.959 2724052.58 2367573.017 LysoPC(18:3(6Z,9Z,12Z)) 88360383.88 46606638.65 76521500.9 76883298.03 132541286.7 148175761.4 97617314.12 144883448.1 101135744.4 43695447.08 70356819.98 104387180.6 117926861.6 117218085.7 177996385.2 71906917.35 102277932.2 96349922.83 132747996.2 89591398.35 59283542.71 37641624.22 65711628.05 52178761.72 114213612.5 26210021.74 21554735.38 18495676.23 119697482.3 32279738.89 216857377.6 273713600.1 339292037.2 287449552.3 220272087.6 417290357.7 274128320.2 302149529.6 222644399.7 320130826.3 302319550 218193253.8 197549882.9 229068685.4 226662458.8 241471417.5 287407707 236140680.9 202130081.2 292994469.1 301115960.5 234184144.9 231903840 223003420.6 255177192.7 265813581.4 327074795.8 311775820.2 201191949.8 323821852.7 LysoPC(22:1(13Z)) 17995111.27 4514088.655 32376407.38 9252162.792 32148276.65 44187017.74 21162562.33 35603886.51 30581518.68 14375842.13 13734796.16 45453993.77 86067904.11 108354004.8 115943274.3 13515964.08 21902659.52 24819902.26 104378860.9 27072422.98 22199138.61 8792334.611 17167516.9 9648153.46 94302048.4 4467438.103 5766285.918 1944623.873 109879027.3 9105531.238 14413344.75 17029987.83 13657128.09 11390511.8 14770242.99 14019326.17 17464845.73 28158958.8 13915354.21 22932897.7 33821125.55 9204129.668 17061742.61 23389482.97 24832113.58 20752783 23832632.84 26349991.87 15338588.57 14809829.71 15000233.63 14024627.11 13738063.45 13427212.2 18611663.81 17750246 15046851.03 16062938.18 17415979.39 13735518.75 LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)) 10303553.77 4615175.553 7977419.451 13592437.06 7328873.333 19643825.99 9042294.17 7908517.871 25877683.12 4734958.107 10971828.05 6749963.505 5632322.46 16985139.88 17435889.81 5303845.093 12152209.5 20240811.05 22510271.31 17078221.54 16014941.46 12411374.52 12470433.33 12162658.35 22095346.7 24514824.9 17090302.03 14338701.87 26142499.64 25017740.1 36112196.86 45999607.29 52270069.53 3925918.802 3887856.229 3317963.393 4461809.151 101204024.8 32639238.52 2994201.059 19537340.36 1655363.78 110980299.9 240947788.9 443085559.4 27151128.53 48599550.2 21964871.45 44405297.61 335492486.3 58324899.94 65145620.62 36295152.96 60817827.74 31720130.31 36266114 30262146.06 23788585.68 34007227.64 29164683.88 LysoPC(24:1(15Z)) 9921762.503 1465027.389 13828986.25 2733797.623 8474349.132 11161182.33 10429257.64 11201492.48 15360680.79 6711669.207 7578283.073 14244510.15 42674973.78 52782755.53 46496836.11 5102363.084 8361792.619 9538161.274 48632277.1 10419025.8 6497066.155 3646893.418 5949620.68 5157169.043 36813358.59 820413.634 847333.7066 494414.5666 50636663.99 4629925.5 21225929.12 24082059.51 19937723.42 17068737.85 18397907.51 20948444.19 24408947.4 30295210.04 20796043.93 25102051.47 25932229.52 21900288.2 26263246.95 30277828.98 32226082.74 23398377.56 24003144.89 24542574.73 23843120.94 27740528.76 21306678.42 23240312.88 21590344.44 26522098.06 28597853.39 26123069.06 26771448.36 24739218.35 27373166.09 20722708.61 Lys-Val 5838753.473 4481121.358 16619888.92 2272103.505 5749477.367 4865816.763 7691032.674 9745640.572 5932295.923 2143415.102 8615924.547 12558515.28 4127035.615 6115478.966 5925482.962 8823512.585 6498304.609 6940644.741 23803768.91 6575888.935 5456650.91 12738482.75 4139735.042 9847177.621 2664922.334 5107812.212 6625528.058 3820607.597 4767978.58 3375035.34 39705507.58 28349569.3 12645752.43 14568074.39 26119442.14 17554331.01 11873976.97 33779386.69 13212424.51 12228556.98 19018497.77 15924761.76 31836284.2 30880508.1 27049577.3 17048470.37 28670773.18 21672929.6 11235365.94 28089556.05 16402474.5 16851369.01 25102297.31 14644730.14 15740494.26 14583539.06 23229860.85 22177565.59 20978489.82 17043781.52 Mangiferdesmethylursanone 53063198.75 15791971.38 40914073.3 17490382.21 27007032.76 23257019.07 57707356.03 31522245.32 36156795.36 7837743.712 47287671.28 60425207.76 21944571.71 20157149.65 20911767.33 47144279.97 45352357.16 54158529.69 60015664.66 16320920.93 18272041.17 26374701.93 19093167.31 16907799.99 17730008.31 45851852.87 33727280.74 30830844.38 35596015.56 31443880.74 127239353.2 155615379.5 157912307.6 151327784.6 141094615.1 225688570.9 267541300.6 145747657.8 195072645.2 188447069 193245644 274897055.2 126013177.1 185869132.8 123288390.2 142026508 198506624.4 155979027.9 92692542.5 81203612.4 116039196.4 117475755 132584849.1 144896182.2 122111842.9 119293615.2 126720808.6 82820720.26 145527550.5 101362666.9 Maslinic_acid_3-O-b-D-glucoside 133393.5876 154374.4555 150975.8483 177002.8105 152100.3019 128139.0549 197440.3946 216016.3014 153583.0827 128024.1371 168901.1741 192394.0803 144484.8913 176371.3873 81288.08593 150437.7244 82152.7741 146760.0155 102715.7974 186599.0746 135470.0139 194520.4013 179649.2594 205129.2852 245570.7684 205951.3216 147875.1896 130547.3827 160404.4186 83750.86285 460979.5123 550306.9985 443023.9085 446592.5674 420430.4208 433369.6779 515204.9568 508904.5397 402217.5256 469755.6086 425385.1938 440012.7965 429024.6354 468184.6861 376215.8575 441267.6675 478947.8057 445312.2211 426704.7859 446146.2876 469444.9908 468323.7311 493422.0027 489168.3213 501947.4023 484489.7768 405423.1471 455341.5131 439651.1004 440239.7783 MeAIB 500189249.8 133954147.3 546510642.3 177887674.7 550393835.4 400899577.7 403845873.8 439459169 655613815.7 94955507.23 420589581.7 537354008.2 306740333.9 568697352.1 375946995.9 360567475.1 550700379.2 582854927.3 481419158 121228512.1 103768420.4 232981748.9 108351726.6 143759042.4 175657418.2 343663687.1 366716173.6 298820344.5 323569008.7 243039475.1 34070378.88 30709742.55 27137996.89 31611556.36 29257570.82 21370856.34 143153733.1 34916144.13 26209073.58 24716558.16 27380677.66 32907449.88 35930375.7 36081365.31 39374964.72 27188432.84 29570169.09 27190620.83 94885084.15 35107031.8 25366633.92 27778144.76 21677109.84 19740535.03 31093414.09 29010283.26 28705790.96 34602158.5 33811782.72 25620616.46 Melatonin 35716769.9 31416.35871 48342426.02 15748.28042 19476556.2 138957.2834 24477651.5 317287.1328 21715.24796 65842.19281 15184.02233 38525480.36 18446322.26 45806196.94 6062130.278 15069051.74 300755.5847 21961713.94 8959223.536 5731439.947 2850191.242 1738017.398 1025067.385 53415040.31 18243858.43 756957.5498 1594758.266 742037.026 340942.9007 425706.5412 28374913.72 2700698.267 1317839.306 448316.1696 24620089.88 920699.9092 300266.5286 727598.5489 891923.5441 558393.0078 1652417.107 1068801.931 3897338.42 52617615.3 5013508.722 872638.9033 1698175.141 1863323.443 6460944.776 4912524.231 21710838.79 6736399.131 7615845.439 20146558.01 6756540.568 1544723.143 4100492.238 1979494.731 2641610.499 2180220.072 Mesotrione 23128583.03 22908210.82 22436691.35 23763421.82 20570435.63 21635040.43 21562258.42 21449815.21 20626740.24 17585531.86 20745363.98 20668122.17 18144682.62 20065995.03 20428619.62 22261608.28 20556700.68 21236803.51 18932423.38 22532155.91 18260634.14 17251266.52 22606762.58 15591156.77 21602928.62 19774691.02 20085951.35 22707222.67 19744568.11 25701726.7 123541694.8 146822095.5 177073384.2 164004835.6 138215725.3 158689123 179761750.2 187791484.7 164207601.8 179783462.8 157385609.6 169047270.6 175846333.9 129462499.6 138359138.3 168517236.5 165569663.3 136671376.5 170110926.8 134314015.5 129842298.5 143966493.7 158050567.2 104392132.1 141161275.1 142546147 157296444.8 167376168.3 136977089.8 135987527.6 Methanone, [1-(5-fluoropentyl)-6-nitro-1H-indol-3-yl]-1-naphthalenyl- 511025.8757 353779.637 482620.9861 92045.90958 383096.4309 376524.4259 298801.8728 866513.8909 476959.6942 38725.60611 695921.6571 874934.2793 139554.7969 422919.6674 131748.1716 397331.6275 524594.8142 1318851.181 1830989.261 26359.16508 82477.01662 81562.91782 15353.17986 228207.1757 520124.1305 728307.688 1818980.584 499539.6955 1393332.033 882654.4913 1277315.89 795028.9827 389950.6558 355868.8131 1024450.215 323489.6662 286634.8242 481355.0553 319159.2146 1103719.388 1530136.628 55589.40897 845642.7517 534638.2188 460518.5398 938543.4891 491696.6577 1018679.709 1184002.995 949392.2896 2379392.683 2522373.069 1510805.867 736173.6973 2317438.354 2791802.525 2215705.121 2877684.541 1876790.453 2112247.597 Methionine 368656198.5 42942433.9 349834024.5 80826632.04 370983874 186519425.5 261628959.5 262673121.7 419780909 27203174.66 265101684.5 380161755.8 185025396 423992529.3 270759873.4 208344850.2 396291296.5 427346093.3 397377917.9 59625630.37 37788135.61 105661817.3 48766469.18 71286013.97 102706913.2 244324909.1 312794300.8 191298093.9 261159965.1 171667229.3 145061245.5 146064863.7 39372534.53 37447752.69 142556183 47676373.42 39712462.96 47231365.47 45032401.48 57549605.21 84842018.35 51689845.26 234538317.1 239729192.2 196430920.7 97762575.77 108222683.9 68304335.21 118466070.3 221280698.1 158824203.7 185546497.1 138197655.9 127054814.6 201386692.2 182673451.9 179886147.4 244082366.6 226073112.6 151760112.2 Methionine sulfoxide 3035460.578 1898216.833 4158125.752 2489810.907 3518131.555 2282909.569 3128357.24 2829841.547 5140611.101 2130632.804 3262863.778 4442552.643 6037164.576 6660956.982 6122139.245 3127690.205 3666977.7 5596170.646 6504076.995 2459290.914 2073170.661 4164801.76 1895829.675 2025505.759 3580530.368 5661724.894 5598163.972 4496177.194 4874576.547 3386929.68 5003956.205 4655526.744 1719603.614 1394375.568 4475074.413 1255981.773 1516515.778 1451307.336 1165484.453 1700972.736 3025755.943 1262612.111 6611029.87 8099437.824 7073105.729 2411041.53 2656736.144 2572771.787 2140810.781 6357173.629 2571753.117 3393975.63 2982408.356 2675118.949 7331384.213 4298224.728 6850181.703 7579564.902 5082626.374 3356254.924 Methocarbamol 13808453.73 2517039.97 8918052.17 2553187.97 11047664.01 11554223.47 10975031.08 10041264.41 10113777.59 661780.3339 10823090.82 12087134.58 1975999.097 5165765.347 4747112.017 6525077.016 10519881.07 14451502.16 3300751.425 875120.0243 1094657.768 1622816.142 1249651.669 1321402.402 2341650.169 2778178.893 2716626.276 2778534.946 4106493.646 2697214.281 1615765.769 1816531.68 2372727.87 1989827.177 1328137.71 3429124.218 4250961.697 1426224.382 2583275.642 2332290.738 699742.3767 1820191.673 543859.318 989857.3224 349307.7096 925783.1672 1577956.865 3713734.31 949612.3221 453536.2324 1156565.404 766865.7652 787135.3887 1130342.14 1012885.24 1285938.211 709742.302 884811.7697 740529.2252 1240123.463 Methylguanidine 3741334.095 4180263.865 3476283.074 4992006.502 3985458.437 11800114.73 3619201.5 8914596.709 6745590.333 9143187.367 3151458.625 4003676.165 11239697.66 2842322.087 2939248.211 3854200.794 2911122.293 2989473.083 9590982.889 11000911.86 6927964.612 9041885.885 4563254.221 6824145.103 3039142.926 2711694.297 7390995.106 2837308.017 6142363.075 4763541.573 5368066.543 4794547.14 1563255.609 1877222.965 4030761.764 2405986.093 1549615.274 1859643.007 1380786.242 2026091.303 3405439.974 1439571.983 2526357.036 3575900 2486442.7 1828819.979 2474626.791 1798801.814 1412643.431 2299732.741 1853281.418 3068509.595 2107506.318 2416075.725 3511886.777 5459202.281 2701507.494 3123109.066 2750253.724 4332563.292 Methylimidazoleacetic acid 214904.5792 185617.8396 2204725.376 242227.0285 810833.8247 512908.3952 456076.7348 273030.2957 433193.4308 174734.1299 152483.0967 1205310.959 952262.8798 1779278.678 548218.5744 793418.3109 111869.7311 219400.8923 1028477.915 237746.3499 441375.3052 1683217.09 241046.7212 398924.0733 3277982.18 438872.7903 110918.7574 132372.8647 221654.1234 472158.8261 23071838.79 12760737.68 9704931.259 13678887.6 10856841.59 8603289.45 6189137.607 18155948.07 9312425.842 5549028.845 5635886.909 10083231.54 4634835.345 6304653.653 6746619.052 6987318.619 8351764.79 5814579.685 9775093.843 5372613.518 6001720.452 6364917.559 5404164.576 5816254.07 7902558.352 6103918.581 5399656.386 3583645.124 6291352.391 5923711.053 Met-Thr 3821817.018 673196.544 6535865.921 925934.4882 1884453.776 838685.4888 2611190.736 7513512.442 3598573.079 581588.7773 2670374.672 5339105.804 2435595.355 2630713.033 4444299.693 2833655.918 1350321.208 1034085.857 22620595.4 3772352.297 2634603.992 4009876.513 1956385.059 4131465.473 5403089.891 6977036.774 6963236.616 1809242.152 11450487.31 3316580.048 299966.1309 214333.4192 135047.2187 190673.6244 233512.0206 148319.0871 62083.46461 157559.1621 110097.4671 161598.7947 248178.6577 90062.86596 373487.0448 521900.4801 400588.4569 116296.292 124188.6411 189424.0374 179129.3807 224872.2585 179705.0564 321348.9232 125093.2258 192780.7339 115631.5056 173327.2728 262517.6121 284048.4431 92519.77477 156340.2408 Miglitol 14683257.91 8911495.623 17409061.13 9789279.322 14532270.4 15363264.2 15357321.17 17931986.19 17456734.74 7435394.311 16453889.87 15808088.07 18475938.79 12315845.57 12210116.49 17190331.51 12472733.53 17474040.32 17734677.73 10659277.69 11471829.15 16049057.73 11472457.24 9620637.615 16069582.7 17070105.16 18330614.23 16673756.98 17993226.61 14801482.65 2344990.018 2500617.823 3721788.465 4677578.984 1949944.196 8623535.454 5876007.833 5033885.363 4526465.375 6133927.128 5290260.383 4054514.9 1214291.015 899171.5953 897928.5511 3368036.596 3917790.287 8132808.507 3052248.033 3532351.364 3225449.75 3769995.549 3097846.707 2860915.412 2701409.329 1660772.661 1557573.383 1705200.014 2076637.372 2436088.154 Miltirone 2323695.713 1610645.057 4790507.584 1474983.431 3408528.669 1898843.183 2591036.153 2891632.521 4183941.458 997603.7246 1426195.026 7486962.414 2018388.293 2189628.591 6185432.213 3875845.036 1993415.336 2903619.011 5790784.253 2193213.765 1966138.245 3425994.374 1178669.715 2879951.011 1045580.347 1366403.752 2385279.37 1761945.012 2103088.18 799620.6365 1595659.538 2109555.51 1643158.305 1020009.003 1782979.792 300303.5375 519203.7544 1533802.028 303869.8218 2323916.833 3659055.77 238120.3377 2248614.744 1763554.696 3338931.342 928539.186 1051977.992 2257462.89 3137410.175 1241040.742 4331495.13 4955059.298 1860025.865 2042369.943 3880287.738 3084147.525 1433005.377 3759465.399 2407119.479 2131855.066 Mintsulfide 32772323.34 20638330.84 26625772.96 17921090.05 13752710.18 31156137.82 32330514.24 32557795.15 32273655.49 7717079.88 30883732.06 37284184.4 40452372.39 20481919.15 33735896.74 26271851.99 41326591.34 32338791.64 34142154.78 14718511.05 24046914.8 18945317.78 11791475.82 27133104.81 10185006.07 31733129.77 23977844.5 43971630.09 33256642.77 43137851.39 18693256.2 21158383.7 16113723.56 21325277.76 17635264.77 19915000.27 8506724.808 9082192.001 14059011.42 22734840.12 25146011.18 15121433.4 22184494.99 21032629.13 15308368.84 17253767.53 15525710.36 18393418.34 10121064.36 19501679.75 21627913.62 22107418.63 22335554.3 9279784.58 19768203.9 19926256.25 22829004.46 12531974.15 19188024.38 23180082.95 MLS002638110-01!PREDNISOLONE50-24-8 851528.732 55745.79786 1219347.652 90422.2732 3648439.31 360893.6958 171673.2542 650008.8559 1234579.474 40983.18595 1055236.026 1113636.304 359489.0545 1222863.851 859792.2164 127751.3435 2211591.106 1018545.715 1243935.511 828991.5807 1134362.803 261075.6916 53328.01922 171293.2096 78402.24403 417283.1999 215946.823 344966.6429 203490.1824 633410.1395 3489741.153 3168552.369 1121799.342 2545245.146 2616094.548 2330756.45 896901.397 4239328.84 588154.5055 669227.5293 469604.6462 4428109.21 727796.7706 746662.7273 103495.6761 842842.074 1314721.154 737484.5024 374768.4086 251954.8876 317528.642 367066.0436 264697.7679 527598.2303 194545.7929 160020.3874 113276.1764 90863.10121 442403.0324 171238.2571 Moxonidine 9918938.176 14540737.4 30867646.57 14275343.69 12505044.86 10126351.77 14767948.56 49006623.79 48721297.69 21947684.76 17052198.79 13571766.09 28228414.71 71276324.17 68737196.21 15871541.91 12399705.4 20013725.2 76868504.92 59447003.56 242403027.4 536898176 153438302.4 165644735 214899503.7 594225980.7 524122696.3 513385370.6 197274269 407823107.5 56859449.73 52232063.22 69170879.38 52812676.67 58114563.38 55995256.06 66214066.28 40199029.18 72416895.73 51794026.36 87968534.2 40584788.94 119520873.7 120663905.3 111634861 91074518.92 77628873.08 65581691.78 61583668.57 114342498.8 113033712.6 117276750.9 107400442.4 60204533.91 62283214.04 80888632.39 111343121.8 96230986.41 104692480.3 95792179.02 Myriocin 827387.4591 113750.966 1060712.884 103790.8935 14234642.42 785022.3365 3665967.516 4414982.569 869124.3971 267361.2891 853170.8489 1460357.601 254032.9092 539618.7987 592134.3884 1800876.925 986188.7914 2812154.632 2742012.186 178743.3676 611477.63 899638.0929 419653.2626 469884.8077 954833.4463 924570.4102 1185732.977 753597.4465 877800.856 515618.2546 1193850.362 1561571.883 932763.1085 917766.3639 1096846.239 1115318.31 683533.7197 2010659.204 495070.6618 436991.2333 327613.1577 1584516.565 277431.7905 219750.0626 250173.5242 492457.8711 615010.0483 403688.4805 313213.5727 387732.1071 394218.1685 364923.9554 381760.0689 397190.3245 430237.6232 428006.3538 377864.84 304042.1579 411800.3128 331768.3402 N,N-Dimethylarginine (ADMA) 2426158.126 89866731.27 284363419.6 408888957.3 201305580.8 135882791.1 285099258 157535454.2 400932038.5 90909499.24 306009341.8 284504756.7 153612818.5 465771149.4 205869489.1 242024019.8 553055272.1 508115898 172953688.9 73773621.38 72961801.43 97858324.42 218443425.9 64136771.24 44923557.03 164558084.2 119186922.5 114734686.7 123706099.6 138662812.5 123529097.1 123617450.8 84903956.11 76900349 94806716.81 77429982.11 79604089.15 129624849.7 63784057.44 98984997.13 103835142 63441238.86 110069375.8 112866038.5 107729069.2 82803246.64 95214140.9 105055344.1 127468195.3 121622339.1 117828738.3 124321076.1 126450995.4 105721178.7 91328648.61 102717061.2 88881154.26 108123775.4 93223770.07 77110402.13 N,N'-Dimethylurea 2449376.987 3068314.711 2579356.545 4236823.897 3598985.039 2906452.927 2905843.712 35606612.14 2450168.655 2482864.97 2904683.181 2004468.071 2543211.958 3522218.824 3397880.886 2772637.224 3853636.152 3165818.911 1603318.505 2744650.456 16043559.02 2924935.323 4356844.407 2132347.162 2066353.637 2557994.651 2726807.86 2640465.457 1739395.608 49300926.13 9597321.052 2143134.896 1342005.617 6285741.977 1805850.72 1706282.41 3773913.682 2050644.62 1603583.115 1618312.681 1860626.496 2606998.926 1828205.239 7470592.154 1762186.37 2040552.933 6145172.41 7040611.127 8668858.947 1888372.914 1556602.107 10955800.37 1419626.483 1609809.718 10161056.49 1884679.321 9559720.273 3045356.169 10285379.02 1412320.252 N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 71037988.64 15024515.42 91395443.63 28468055.03 57465918.61 60653882.85 64855618.02 54190033.64 136055654.4 26639721.38 100445871.5 75083795.63 87814584.81 138147506.9 73764572.7 58683554.35 74869753.84 81684092.92 60944633.76 17767040.26 13309499.57 42352904.05 19576528.18 36410466.68 76294652.84 128046242 175867360 116038190.6 112933234.4 120826798.4 5027787.569 5678251.711 8416996.641 7878611.027 5759112.905 5837510.024 8091101.093 7799987.793 5229797.024 6844079.084 5449818.787 5247149.571 3757510.798 4763624.651 5654438.748 4560925.97 6263192.816 4705525.833 2601650.114 2529684.963 3672996.262 3983550.685 2911304.726 3903246.571 4776451.203 4592775.255 5158560.986 2850389.554 4890458.902 3430320.8 N1,N8-Diacetylspermidine 2815980.524 2648367.264 9304526.718 2034601.814 10528933.9 7412485.856 3639525.937 5679372.363 5968653.781 1197430.363 2881363.976 6358953.463 7851473.753 6657191.576 79271918.24 6956561.21 3517156.591 3037730.113 93837598.4 1111642.847 4828606.29 3680538.474 3987039.337 7734948.391 2264292.036 6419750.088 2117267.403 2789547.382 4083119.281 2411177.824 136575.9219 264797.5334 215945.7773 250465.1873 161654.7305 304755.4545 373484.5065 615218.5156 180877.605 157779.8593 208295.6624 222076.0664 39870.6983 89149.25287 84187.01124 130523.3928 246942.6308 149466.8782 122694.3155 65064.71057 118617.5625 105565.5726 106652.4975 237822.5166 162045.1863 222886.589 94419.20716 65361.53609 96698.47577 85379.00351 N1-Methyl-2-pyridone-5-carboxamide 10741991.04 2464743.885 1120904.888 1315115.955 3556130.563 11412773.76 1136363.541 3080902.63 609314.5445 717696.6583 529990.3056 2035300.603 366863.2427 391215.8784 329538.0613 420234.4714 2958309.004 407077.3546 1318590.197 740904.6343 451533.5241 638415.2124 295234.8973 343487.5273 880765.8061 1240054.796 1954058.305 1183140.28 359782.4559 1532811.572 29229917.63 7783003.347 2228408.26 2881691.739 10749862.88 8021195.678 1331575.223 14004098.22 2424659.709 1420086.467 2857935.592 986343.6108 1742784.328 951465.597 993542.9497 2857085.613 4294499.125 4171367.791 2515799.044 1530630.91 6555007.618 6333627.847 2135312.123 2371820.321 3134610.682 794684.6134 1482370.68 1550896.633 1692113.488 2420066.489 N1-Methyl-4-pyridone-3-carboxamide 10741991.04 2464743.885 1120904.888 1315115.955 3556130.563 11412773.76 1136363.541 3080902.63 609314.5445 717696.6583 529990.3056 2035300.603 366863.2427 391215.8784 329538.0613 420234.4714 2958309.004 407077.3546 1318590.197 740904.6343 451533.5241 638415.2124 295234.8973 343487.5273 880765.8061 1240054.796 1954058.305 1183140.28 359782.4559 1532811.572 29229917.63 7783003.347 2228408.26 2881691.739 10749862.88 8021195.678 1331575.223 14004098.22 2424659.709 1420086.467 2857935.592 986343.6108 1742784.328 951465.597 993542.9497 2857085.613 4294499.125 4171367.791 2515799.044 1530630.91 6555007.618 6333627.847 2135312.123 2371820.321 3134610.682 794684.6134 1482370.68 1550896.633 1692113.488 2420066.489 N2,N2-Dimethylguanosine 12020211.03 2297333.525 16219501.69 3371283.528 5059040.962 9682373.101 16399221.61 8303562.947 7275063.083 1378542.369 16705078.94 8348242.525 5145344.575 4945518.91 5785554.879 9327391.28 17846175.11 47219489.06 8017989.039 1292651.105 2628575.318 1685561.193 1902940.406 3066434.126 3740044.864 9118741.278 7545003.643 7518761.728 7638823.343 12102818.65 1062075.134 620838.4807 304575.0918 597946.6038 677846.5376 549568.0721 278935.0898 869915.2607 391795.8447 294050.8714 800892.9015 782948.8735 1150004.88 983668.0859 631827.0261 488057.963 1029476.1 669463.1415 515546.0108 682960.0526 459406.0463 493203.3621 910546.6869 255192.147 587504.4451 495651.557 471056.8104 583941.6573 562777.7564 409235.507 N4-Acetylcytidine 3856656.258 266387.4277 2466484.295 887050.8993 1104593.074 1512272.545 1808410.894 1878626.82 3042461.064 1235808.401 2541607.902 2630486.326 736633.4144 1179908.629 813548.6547 1144070.983 3835752.362 4780877.549 1526962.609 423706.5585 431914.3789 475860.3063 379975.6975 367595.9561 472175.6557 1375677.605 1220126.637 1073158.418 1150753.192 1031840.545 19729125.15 18620993.8 29949395.03 37923560.78 21549614.88 54808175.54 35306991.5 37494439.83 28835198.94 37097840.22 24622350.74 54584674.72 8502963.357 9201675.763 10112195.83 27168952.67 43619182.84 33596557.64 16207449.78 9484001.283 16265191.72 14174877.08 17332776.74 16312564.83 8603613.853 10221177.15 9419337.851 8422929.493 8746774.393 12168001.57 N5-(1-Iminoethyl)-L-ornithine 3443553.575 5668951.588 3605646.181 6620513.828 4316600.246 2116458.659 4485068.552 2152946.164 3160072.08 5135585.218 5233306.657 4077946.679 3239671.416 3543739.756 5426233.027 5542477.761 6639760.578 5319285.508 1248968.605 3617791.399 4570547.971 3088153.214 5436895.448 4512788.337 2022271.174 1208014.149 1148551.674 1538364.64 1794587.302 2534944.21 4840818.47 4203061.118 5435677.398 5383808.583 3621636.163 5191048.755 4156373.846 11787511.01 4427220.635 3686410.508 4653653.966 4155112.458 3343706.38 3406630.48 3188063.316 3019364.432 4001724.634 5076358.586 3128084.278 2888697.581 2666397.185 4050608.381 2718018.253 2414988.71 3068671.472 3646925.568 3072811.383 2562707.885 2536823.781 3255081.924 N6,N6,N6-Trimethyllysine 159948833 25814220.66 81103512.21 31768269.61 79407811.09 50977277.63 58238292.55 47847862.04 78756352.52 11312677.98 65986347.22 78443901.63 33465046.44 70405242.01 36940164.42 35999736.73 97443392.75 69862228.63 61152958.29 16330979.92 23823772.43 30845790.17 23981506.4 16789287.11 18391104.31 49930111.84 39558422.07 33142395.16 46297837.72 27789910.26 143704043.3 142371071.7 75043887.24 96635125.97 86838388.13 113993153 77483230.19 152474792.3 60849561.68 84073130.4 94604580.92 106896053.8 51515097.07 49587978.43 41685916.08 95029843.25 145059272.5 76955715.58 43058951.36 56515452.93 54921353 54870541.77 51747044.74 47319594.08 44685846.08 42673126.98 54998348.87 53014788.5 39693832.88 35287223.63 Na,Na-Dimethylhistamine 3543493.087 6854846.377 3608232.393 4061003.547 3600085.654 2331555.153 3381079.62 2861500.978 2516659.894 4578140.212 2258320.45 3041408.422 3879939.427 3236369.545 2649251.642 2802816.247 3322012.076 2784250.354 2059841.313 4698254.22 5342113.783 5299520.465 5191520.855 5030101.718 4209232.376 3395673.145 3023599.168 4671994.563 3409540.869 2791798.738 950468.225 1063365.417 770942.2566 355527.1324 3038942.241 421544.1805 449117.0004 467546.3635 676645.3428 435526.6695 572700.2849 498823.16 968644.5987 1293295.289 1071552.977 1114049.233 573814.1049 457193.9771 840730.6319 926045.0665 872854.244 1794178.719 1454219.695 854284.6049 1998703.425 2232186.207 938674.1328 2633592.795 1219876.52 1004522.967 N-Acetylaspartylglutamate (NAAG) 1411250.227 481511.3744 2077759.121 324372.3221 1083176.008 662336.1388 1359705.064 1493318.583 5355719.081 387735.741 5368833.48 2535137.575 1491896.266 3573716.842 645020.9047 1172188.341 1886198.426 1811394.789 1289400.445 280169.6993 223289.8361 438292.1326 112577.1082 796087.4743 652485.67 297662.9466 335327.4035 306797.5825 598892.6502 262829.02 1493316.744 1020141.996 760014.924 949018.6873 1077816.072 983958.8888 945137.6359 1690087.226 902840.8809 875696.9016 1050585.607 1138847.78 1052871.528 772237.2761 401928.216 758454.2628 978930.9613 988167.0402 1151520.871 523044.6488 379207.1833 911982.6359 667905.5688 568427.9324 1058408.7 765623.7956 1020227.798 775329.0554 2260103.802 315719.1969 N-Acetyl-D-galactosaminitol 3722869.032 827724.3775 2732520.119 882275.5374 2262908.998 2469077.985 2550649.877 3164045.325 3241548.051 434989.1908 1059433.725 3045162.289 2243545.833 2169921.354 2385017.48 2279844.164 2638816.218 4115125.985 4087684.011 919080.2896 721995.675 1442197.974 1012664.282 946515.3338 1587394.513 3556257.823 4075094.153 2916792.509 4419865.051 2064949.572 637348.7785 454763.941 269915.5757 306547.5447 405131.3962 384891.1523 226156.9631 873458.4373 255015.9186 311806.3333 368648.0439 274156.2105 350690.3577 378392.5591 369035.3935 291714.4803 442822.2291 358014.5804 191003.132 229243.7992 273893.7928 36299.15168 244169.2493 209280.3309 270871.7775 181583.7661 236275.717 239147.8021 214011.5201 205041.902 N-Acetylhistamine 23019098.6 6183688.769 409170756.9 1633210.884 34178841.77 4020073.156 15348965.25 211945386.1 5610867.757 1141286.792 9834814.695 22617942.92 4839427.277 114194534.3 12181498.08 15092020.67 6031463.07 9529105.267 69600509.77 4435597.346 15171193.46 4246438.339 1977600.042 30869372.62 1840703.192 5184279.281 6837138.462 2734588.489 3895899.48 3832200.687 5029010.364 3025197.168 10286149.37 4974194.875 2512919.042 1050820.471 1217312.233 1746694.806 12355419.75 1183438.814 1340075.925 1738487.125 1533949.787 10704476.98 5735427.231 1871940.557 2207651.243 4784463.658 1376646.897 1129476.75 1479341.695 782887.8572 877848.3021 1265295.286 1022064.888 998423.7145 717958.8969 741899.658 1247009.014 917919.392 N-Acetylhistidine 1209189.617 103717.7619 708918.9643 65832.59016 409539.1176 761068.1464 364289.0152 585092.0002 278714.9193 95862.12661 346236.5281 899464.7538 229234.9981 358759.8501 336026.9492 523092.5316 359223.7419 280376.8327 1287465.435 123327.2827 86505.24692 122630.8214 111543.86 126949.9199 180129.2026 309063.9649 329369.868 260127.8441 158949.3795 249762.8784 56520626.28 20945886.74 8476832.485 18688646.06 17701041.26 14943525.25 8893299.88 38830547.16 10318474.72 5925586.565 7191068.884 14753155.97 5534457.576 7198389.489 6132579.57 10514303.34 13264750.81 5996646.634 5252511.843 6238024.684 5392415.831 7582479.083 3692593.431 6006119.604 7248703.977 5014286.326 4789595.921 4894781.312 6128950.281 3964154.945 N-Acetylmannosamine 8732560.923 2288759.855 21598311.06 2761678.584 32613343.18 10395341.55 7786701.356 9995847.494 7624487.629 1328342.221 7477487.549 9261356.705 5052792.553 5412828.261 10612674.9 8509355.087 8487614.999 7848699.008 10380506.69 1862742.097 2181231.082 2614570.231 1732842.953 2097918.038 6236188.574 10600957.16 6039802.807 5666275.002 10264374.65 7553144.618 2286483.572 2166772.824 2414958.991 2120881.937 2011434.218 2064475.072 1245571.573 3500202.186 2040576.813 99772.03189 2225770.545 1828570.212 2361963.817 1796775.668 1340300.238 2000620.914 2101703.457 2600400.486 175692.9938 1715905.394 158775.9242 223233.159 83687.35216 89028.9247 1401900.308 944962.8377 1174138.524 1350165.336 1170011.404 1422092.687 N-Acetylputrescine 5786054.304 6907419.206 23960431.57 5303885.932 12938613.74 9347806.825 10124465.7 23311603.49 3875143.366 2595949.703 3915721.06 43474312.34 5351313.925 4329393.043 7748147.667 9850824.171 4878710.151 3516758.89 7938392.573 2113249.965 3599843.56 4091484.805 2168284.113 5837464.227 6890881.098 4701601.719 2192804.812 2321860.867 2687578.564 2011069.187 1165631.367 1074355.213 1585544.806 1182800.463 1042168.373 848816.8959 752243.8016 3278231.283 957171.0613 795973.4727 2097803.485 1363338.005 690646.6082 653772.6644 697250.5631 962938.6804 993155.5717 1340320.859 961927.6183 547337.2413 747495.6545 837376.6395 597134.0167 645569.8282 638531.0968 713330.9331 508925.0541 413909.5398 702486.8491 616428.4203 N-Acetylsulfamethoxazole 108841268.1 43224271.62 154201940.6 43837602.72 90203867.8 100651947.1 121072210.1 190670278 194627450.4 56577462.44 123306942.8 117849913.8 165465027.9 208625192 200729969.5 84561130.75 124521583.3 167994746.8 196806815 177369199.3 156656316 180812364.1 165626828.4 154929763.9 157804418.9 178967756.1 162284027.1 160698174.6 193487410.2 166113091 96712587.94 98024594.03 78806040.61 79631641.83 88708653.6 85655202.12 79796368.95 99830516.65 83260223.93 83127646.63 90402260.04 82947650.23 102568494.8 94357246.98 90497783.18 86100749.66 89133023.27 90363136.79 80151060.2 96771517.96 85646525.17 88948889.16 82357663.65 77370201.17 77923241.19 84700384.89 78195553.56 90234343.29 83451943.08 74152966.93 Nadolol 7781440.602 1600104.115 5779813.971 1846473.899 3220731.076 4050456.621 1945998.521 8899886.832 4290732.707 335333.1341 5530317.825 3705705.786 225081.3027 447787.4684 89739.78663 2953228.898 6332194.586 4572379.712 660964.1364 193033.0539 177744.6437 373599.5689 218550.9322 127835.4115 180384.8506 141624.9706 439191.678 218064.2704 1113521.44 180473.2915 1464664.404 1080532.422 998622.5618 1401568.105 775694.3187 1555453.955 524633.8797 1693763.324 2092089.233 1162546.03 1329873.073 1298743.692 137228.8357 115855.7787 0 1420366.975 1812704.62 2462541.706 274486.8751 260554.4009 306777.8152 191514.6577 513282.5595 164808.0793 223945.4129 148648.9679 622111.7743 371760.2668 384639.0303 439943.3348 N-Arachidonoyldopamine 19460569.54 5750194.411 25714696.82 10942478.43 42822269.25 32697982.84 27608340.09 71960844.03 15427862.11 5950621.912 13486671.32 42491833.24 26764884.63 75014568.19 54549148.69 12086963.57 19611587.76 17851294.08 84849808.75 38986215.69 89974417.37 309773336.3 88562574.47 95503241.77 141615694.2 571894650.7 858406301.5 600929141.3 211876963.4 535966138.3 4109064.663 3465296.574 3195204.36 2418056.957 2949227.279 2063362.434 5214845.908 4499511.758 3073741.565 4980027.852 4746796.852 1986793.722 7786535.91 8321187.83 9504732.499 3609027.166 4829123.996 6588718.164 3362950.409 4633299.886 3593928.405 3776471.819 2910028.648 3298483.512 5196845.007 5589000.913 5621731.168 5127187.261 5929553.522 4175104.255 N-Arachidonoyl-L-serine 328017.8655 195728.3924 382428.5542 190945.6517 268925.1287 293674.0346 150995.1617 307808.1331 326997.97 110588.6246 420185.9334 160766.131 142628.2875 645491.3507 238636.5404 218865.562 212616.8367 303610.1573 386552.4351 156046.7908 265412.9099 252468.1001 286296.2874 644289.6033 454292.8448 202349.3244 466318.9125 301697.6158 353248.0145 527463.4373 2603354.182 3883126.921 2497600.666 4065753.075 2115168.344 3672898.643 1988432.83 2088087.621 2839823.38 2575157.306 1878089.673 10215924.69 2201114.36 1947415.456 1314182.8 2654910.183 3092384.86 3446171.447 1522486.773 2537490.831 2481890.576 2096555.83 2218234.177 1487497.747 2316915.477 1342605.756 2147062.447 1143075.806 1140139.72 1440390.134 N-Demethylmifepristone 845576.595 416600.4213 1631478.737 453912.897 1054987.378 352747.2756 575413.8383 626825.6111 2712622.109 129121.9662 816010.2456 1340889.608 512981.843 1863868.112 1795174.244 478782.4276 1887520.083 2291291.4 2433640.468 345862.2618 276699.3094 685141.6594 68126.68811 252635.1459 120068.9599 922609.9497 897332.3147 395288.8007 1047316.986 411369.6109 244054.0551 223514.6857 123311.6493 119287.2031 217712.0582 104843.7192 60070.40823 283032.9173 141294.477 73611.48688 52856.81535 221260.6092 263048.9702 247055.4487 264852.9269 153175.8991 134745.6593 149127.1283 91507.07865 261386.1209 82398.22275 146236.1465 88450.82932 115276.4478 154419.9228 170232.4277 131972.3222 261339.6081 179540.5918 89422.91413 Nervonyl carnitine [M] 2568985.216 601092.4386 2395478.142 795764.4187 905643.0577 2783516.28 3363552.66 1711083.938 5941570.26 1036854.633 2370371.578 2975356.114 2974695.827 1910598.801 975008.5958 2352549.664 3479631.424 3014189.193 1849121.479 812868.6848 930287.141 1135434.769 1420577.638 1207121.968 816857.6205 948181.5935 1482093.908 752108.6038 2785911.603 1096946.479 2078000.266 2932545.308 4409137.719 3132685.457 1648970.839 3890524.918 5539875.123 5323751.194 3131072.037 2904151.227 3020163.556 4890203.184 715366.1633 1666389.154 1841020.171 2498045.185 3570980.404 3395504.143 1242214.611 1515635.546 1132942.632 1185982.377 1566723.505 1065321.107 2672996.291 1936906.889 1796026.737 1558494.851 2176876.013 1723550.509 Nicotinamide 723700272.5 264388782.4 734080452.2 300394521.5 646556938.1 594185839.8 600047134.4 786248438.4 839337841.5 229151941.8 649939436.1 628119854.7 487328215.4 665186979.8 503060375.1 425883321.5 580545374.4 628094814.5 819198833.9 370624629.8 402126981.2 489486483.8 311302715.8 322484006.5 498401920.7 821995039.3 828870526.5 656211386.6 797445601.3 576358356.7 151865584.1 147779346.5 43845009.79 46069680.97 159935453.3 73880787.65 53854493.99 159199973.4 67588369.92 52760747.81 72241001.44 84023636.38 143984393.4 140447608.8 112580326.2 74175897.24 104257655.2 152905966.9 28879298.34 123751890.5 57431618.43 78119283.22 44983118.26 74205768.31 211174651.3 136764113.9 147791535.8 95031895.51 126065245.1 117329942.5 Nicotinamide N-oxide 10391696.26 6331133.481 7868322.385 2900567.15 8399737.398 18466051.15 6074118.72 6646041.485 8590108.246 1771823.817 6656071.881 6566270.392 10542529.69 9352994.488 8387748.626 5226280.273 8418521.328 5562018.894 8443651.332 7621768.17 10450848.46 3514794.777 4297665.493 2458109.539 11889327.14 7713123.839 7905845.336 7015001.268 9177734.163 7836282.935 34468327.02 34702520.37 8577306.497 13592052.73 36822780.05 45908977.82 20680932.3 19567148.68 22931376.9 23591214.19 24094251.31 12281864.4 32901019.73 22056858.92 15832470.37 26900078.29 39596911.01 47498733.2 12429739.38 22013239.43 37507738.75 28984711.81 13732640.14 22898486.26 55617857.37 19839264.34 15145131 15353024.36 17435699.84 22310423.36 Nicotinamide riboside (NR) 11579043.29 2549809.373 8835393.129 2551130.065 8698586.271 10413802.76 12065905.71 10267309.15 8558145.962 1593136.14 9353338.293 7643399.633 5570683.558 7200664.594 6189379.5 7631836.245 10501872.74 24224540.32 11122373.73 2978352.055 3700525.584 3749579.649 4148735.897 3034838.632 4365861.87 10208048.61 8160787.794 8100896.48 9337245.317 6672988.31 2672448.052 3229061.325 1271159.919 2634584.708 2369973.07 8461252.868 8239257.718 2720673.721 10110880.08 7266065.887 5974893.569 14010307.16 1545366.642 2212013.869 2685948.928 4167298.25 7289328.575 1817679.458 1177095.27 1397331.153 1410381.248 1432665.767 1236793.036 1323433.988 1724847.53 1199389.731 1517767.096 2855049.407 1757394.088 1386481.502 Nicotinate 2190843.54 143292.2623 2245199.631 243632.1257 2006847.546 1964378.073 1043796.155 1439041.15 1167352.998 177690.5526 2278318.084 2847724.845 3173410.431 2895073.675 24984390.7 2785612.792 379846.7766 174107.3694 18170439.51 637158.9334 4295985.091 488276.231 431266.7501 1807370.563 1705129.256 1252997.899 731132.5188 1070005.195 3618432.307 1320252.883 234006.6332 317580.4583 358436.1822 249833.3618 245977.5361 407676.2349 269916.3856 232185.9354 433375.5909 463928.2249 335573.6195 276587.6527 540519.1754 424065.4748 643528.3368 301977.5644 103555.6235 225178.751 345825.2946 657033.5314 426411.0231 436473.4051 349704.6872 508446.5879 327451.1796 424631.6117 803920.2179 309398.4363 1054754.765 327344.0845 N-Methyl-D-aspartic acid 8110988.434 6183020.902 8758255.517 6484607.557 5125803.082 7359903.225 7940093.333 7131516.505 5914894.596 7506697.661 6287005.42 4649594.092 8657711.359 5779386.126 6996586.708 6776355.286 5171171.035 8682671.748 7897651.951 7523521.495 6334703.931 7574400.626 6807297.729 6645450.121 6618279.823 6219767.558 6017893.667 6791418.743 7995070.669 11035974.23 1102441.769 2127953.503 2066972.164 548101.4115 2758683.308 2105005.098 1117637.796 143117.0823 609701.8646 4678949.186 1459790.891 745932.0318 2249155.931 4909304.226 1626600.99 2603633.622 3773364.096 1129730.822 6109041.657 2777332.919 4777294.712 4684580.168 3139699.42 5598039.148 2449657.694 6081293.593 3486553.204 4286949.573 4028378.487 3929492.659 N-Methylglutamic acid 3457148.43 1344759.514 4947298.046 1406817.961 4615908.199 2714354.759 2664233.143 3623080.779 7887671.255 1080823.032 3069008.155 3450616.436 3274330.521 5278979.299 4584847.008 2184292.043 3021160.034 5409527.6 9343141.592 2019763.674 2224645.3 2716314.508 1832045.222 1942897.466 2747243.999 7417924.476 8052510.806 4098815.98 8083657.313 3503970.063 2243456.8 2114233.698 1631064.311 1716806.665 1844091.726 2118719.194 1310804.174 3086403.318 2073759.409 1780164.256 1833108.831 1512703.695 2161738.454 2347574.617 1948821.658 2429315.043 1897203.404 1815152.937 2822704.556 2795616.782 3418865.189 1721603.781 3530494.15 1993053.928 1745119.858 4230290.478 2278296.929 2210813.085 2097526.923 3241443.643 N-Methylglycine N,N-dimethylamide 2341850.486 2191150.705 2459935.55 2086046.153 3487676.938 1863476.353 2488552.024 4796612.62 4429355.008 2761015.986 2744054.101 3210700.251 4921453.181 4455047.225 2426418.96 1614513.623 2730502.528 3725586.95 3485647.671 3339691.746 4337262.797 5514761.393 4896899.313 4477073.743 3991210.824 3300563.195 4141857.549 3965691.722 3426090.828 3711772.758 3326265.846 4429522.419 2878773.571 3568503.628 4209656.781 2577963.55 2326040.772 6207619.713 2370183.618 2944148.569 5427280.57 3697368.588 4131759.745 4395226.773 4175577.553 3353354.455 4386874.914 5205066.822 5312608.991 3848360.524 6400177.241 6293105.94 5554068.544 5789802.264 4182479.137 4369159.147 4977779.439 5371911.138 4230128.558 5171326.835 N-Methyl-L-proline 3538948.021 2558145.794 4690115.215 2437809.146 3048818.377 2718440.278 3257582.082 4733342.509 3207413.393 2550672.955 3961476.503 2999305.564 3376335.115 2817362.823 5155435.202 2184764.338 3734177.223 2679637.647 9427867.103 5508420.067 3645682.819 5309013.469 1825994.784 2897313.276 2764787.772 6137549.576 4304028.024 3380119.413 5266201.949 2993395.808 4126368.272 3688942.167 2700273.874 1789575.66 3053218.731 1851445.425 2472682.793 4168716.554 2093972.317 2341448.209 4842841.785 1698990.966 6038432.046 3441486.087 4331750.361 2364026.517 2990648.668 1962317.988 3534162.848 13291160.01 5102553.723 5029840.117 4353492.362 5082494.749 4060788.937 5291773.051 4325339.271 4027243.442 5487545.399 12726121.25 N-Methyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]amine 838460.7708 619333.4307 1304717.348 347205.6057 686761.2671 527131.0645 617232.0861 982855.8326 1189063.98 696614.4466 898403.3495 1110995.093 1034633.181 1106008.736 1374243.353 788637.8465 777847.5925 839130.8938 2321812.564 1277591.957 1275947.11 2499534.567 1917378.211 1303827.983 2657302.427 3541219.396 2465660.478 4208647.159 3975727.624 4757777.473 2484557.194 1444595.291 1137925.94 819345.5861 2313051.39 912782.5986 1130548.136 1367511.235 1243330.605 1303756.094 2896894.329 730131.2249 1988336.38 1658375.005 1528998.332 987138.3431 1248241.832 3175579.11 4706999.1 2473517 4991742.714 9171608.076 7764191.259 4912701.275 3456617.779 3902061.66 3781686.83 3295688.456 2287918.667 2851194.507 N-Methylnicotinamide 663895.4214 910064.1707 1316593.281 1040797.785 12304240.58 3710412.331 3002960.323 2042152.83 2117228.492 1212971.153 1863436.244 1650845.566 299868.5102 1821889.14 910317.0249 1526927.775 1189033.572 1647918.064 1494935.866 1083650.402 2012154.036 1690189.697 415376.5588 4523322.82 1740275.472 727762.2845 1050023.27 523567.2942 741333.3419 892119.0468 5237671.696 9265362.893 4780230.418 6159476.93 3503313.56 10107289.38 8934068.488 8300970.053 8683552.236 4699387.233 3905598.116 8810259.015 4112760.569 1211387.981 3198859.314 4732438.521 5731561.581 3837067.355 3653980.915 5103485.179 5075140.057 4888209.269 5522335.791 2382890.566 6048193.07 4610662.614 4365680.169 6100500.574 3549377.204 6065980.28 N-Methyltrimethylacetamide 702937.4046 1948605.356 323921.075 2081993.635 325861.4536 1517969.138 1436884.386 307559.9211 268721.8317 1810742.38 1889158.33 2127784.551 1458734.189 741990.3566 1033689.4 1535993.845 538442.2724 1607346.752 1390363.677 3763058.629 1286921.157 514409.3804 1726630.271 630302.7981 490376.427 704590.7717 571773.9948 2076771.06 584544.5801 512184.1808 1902737.742 866295.0111 1549194.867 1880017.321 1225270.653 1192544.078 1601527.179 2411736.321 751697.5625 1119051.015 1377142.875 555672.1639 1374421.6 1234851.95 1482005.246 674449.2022 1022289.933 1965754.638 466349.7805 1104954.365 1638723.132 942569.5097 580040.2868 491880.8077 795771.5408 869291.7278 846347.7779 641580.032 949923.8887 796314.82 N-Nitrosopyrrolidine 8300800.783 4584370.422 8288491.461 4234948.881 9387370.134 9492497.862 6596249.16 10473503.42 10264653.23 1820940.119 7369311.519 7480849.856 5140981.023 8327367.103 6232191.392 5146187.001 7855571.67 9745628.462 9759971.669 2440587.283 1954241.599 3961094.263 1779915.933 1853471.643 2791800.973 5248136.622 5147646.58 3598347.748 5859520.36 3849947.215 7418666.646 3925285.715 4222944.631 3476429.209 2212417.103 4137690.061 4351942.762 4610343.007 4379791.795 4764213.91 3392255.452 4197200.694 3397745.81 2859208.109 2850355.132 2242416.944 3269599.957 4354661.792 1785048.774 3595513.895 1752149.584 1841783.876 3560594.783 1818116.869 1952571.193 3086918.744 1514666.839 3484476.777 1560849.153 1223471.943 Nobiletin 579316.3309 114143.587 318732.7307 154326.6327 1154983.706 578071.6954 363482.3574 1005915.93 485919.2478 77732.18706 1529701.522 1367865.574 144380.6902 215401.8382 155148.7305 1384695.418 706602.4198 1029385.895 317423.0738 102213.2765 353809.264 62837.51784 37224.02605 205927.5351 552777.9981 350507.0036 505894.3506 393807.1142 734548.0682 345331.8199 1049169.051 1288187.423 1442433.903 1332129.53 1092208.665 1120313.984 1327706.148 1052453.4 1246789.258 933145.1442 1431322.759 1152924.621 1686676.146 1797672.771 1650676.428 1425311.909 1081685.49 993768.3001 1579309.931 1558899.65 1542271.733 1601566.626 1681489.484 1274641.874 986634.0037 1225669.171 1444977.471 1071008.949 1458210.296 1079894.007 N-Oleoyl-D-erythro-sphingosylphosphorylcholine 228078278.7 17883574.85 185767460.5 28090286.59 126580387.3 155073697.3 183134048.4 196290977.4 181408098.4 17225284.51 207569101.4 182420335 66195404.3 135433328.4 86013992.73 136314895.2 158756895.4 126172684.7 112858822.8 21384944.22 31054829.9 67287148.46 38988257.55 71133473.54 99904117.95 95577048.86 142995574 112576271.2 194069607.7 97513955.67 482772368.8 471805568.3 714513458.1 865671058.3 380108246.9 888742284.9 689800427.8 490055736.9 716264382.2 731564829.3 500454418.2 1092602851 253914819.6 196395807.4 211532801 529400229 701872311.2 665799920.8 222745472.9 213005680.4 179507579.2 238869631.5 200754526.7 247894881 321691346.7 182302047.6 264040828.4 248438701.3 240776875.5 259153534.3 Nonadecanoylcarnitine (Car(19:0)) 1230516.4 206164.9572 1282920.995 373661.6008 3732153.136 4387421.855 1735099.724 4037158.188 2009370.562 243239.5737 1339324.424 4854575.255 913362.7667 683244.2337 1488268.201 5951350.266 727025.3545 4144111.501 1722727.193 368356.3385 1287891.006 991815.5373 805389.3393 1237455.977 741225.8099 1223068.987 1537774.779 857642.7319 1308204.536 604281.8529 898955.9316 2527305.186 2337825.951 2374260.339 699859.3173 1710309.544 2023054.134 2843766.812 1494995.331 976202.859 482802.7327 4677691.096 502157.192 222438.6615 409497.1923 1483242.572 909008.3513 1461364.575 572819.9854 581800.5208 347581.6128 429668.4211 281566.5817 67959.96166 443478.9121 523684.3411 403488.227 424560.4586 252441.3893 303727.9759 Nonaethylene glycol 91106.68376 49579.93084 164155.7106 60087.96335 172963.3154 112281.1285 67842.51013 286556.3192 234647.1427 79596.00352 0 527496.833 92365.37261 48915.56762 699813.5077 196331.8251 193556.1937 219155.9584 766751.3799 116604.2087 354868.595 323260.4359 90738.66244 263068.1208 449011.2685 428306.5387 660450.7991 228003.4898 617969.7214 639028.4783 708114.739 2157442.729 2395522.388 2245006.47 480138.4396 608641.2373 1610371.175 598792.3384 1706129.75 928836.0482 2368463.801 1247930.744 390008.1688 1034053.392 862140.2525 1946142.766 1524557.179 933836.3156 494140.9604 1610235.47 571084.2535 413806.6961 1011313.159 1939452.234 5059582.07 993242.1261 987899.6782 2873076.231 385506.7841 2934070.672 Nonenoylcarnitine (Car(9:1)) 977882.1536 399553.4115 2017674.455 47990.19002 1498515.357 969544.2616 1351356.573 1458162.514 1223287.217 100543.765 908010.841 1004955.294 417474.3827 624423.8871 177753.6922 1026780.839 1070063.383 824159.482 1145348.932 323581.9562 394668.5325 470628.9762 422718.8857 266420.9428 770808.0008 444646.8713 195741.7492 37671.62076 764730.6318 304274.3183 874702.9856 595530.8575 950641.6114 710972.5493 740703.1651 1247071.072 784846.2574 1107262.844 616865.0744 772695.9991 836077.5765 924242.9134 625233.3064 642472.0602 474730.2599 731760.0127 753305.5745 984252.9381 1546174.386 882550.8824 1080375.631 1889337.445 1214961.434 1325433.194 708868.4148 697007.0915 826147.3726 438275.807 490819.532 720457.5769 Nootkatone 1667502.343 1637518.559 1596083.016 1833435.802 2130515.164 1790416.492 1763739.989 1468785.736 1673384.03 2019617.387 1592360.202 1663881.836 1718278.617 1856175.835 1714574.552 1788836.821 1842104.431 1544108.92 1651837.121 1699068.629 1588547.052 1826712.841 1774724.786 1632251.194 2196667.139 1639927.899 1838180.879 1805767.436 1825465.446 1505603.316 691951.5534 599840.0694 1693145.326 2096159.169 542023.3403 699849.7463 724499.9652 553670.9796 795328.8739 382677.8275 1430362.338 338267.808 1712807.179 1577994.645 1737763.254 2102688.31 723153.7403 2247642.209 517729.1295 788154.0796 931034.2157 1300949.29 508425.1701 1507777.806 1088713.937 1585499.472 1002862.167 1311342.148 1497129.816 706102.1265 Norharmane 3015099.494 3040834.626 9251120.579 1584795.12 2316365.331 7073003.673 7423590.975 6961711.448 27724543.03 9231862.064 2329434.676 3377177.767 79414267.58 61421554.48 279953409.8 5836556.087 6176330.93 3422800.887 156674923.8 17406539.77 56820541.62 71838815.69 14531688.69 121204171.2 38037799.4 46771088.06 32830617.15 33817971.41 38730003 38250737.08 180926477.3 169160075.1 28681831.6 12841311.18 178260748.9 3022381.55 36709858.47 26878192.59 11087078.31 60461220.59 109580703.9 5392628.538 328996984.8 326269083 405354389.1 116026748.6 102225915.4 50504599.03 91120509.66 241985521.8 89577873 133474254.3 105927482.5 116198004.1 178888433.9 185668128.3 190929513.4 251568297.7 221331670.6 165646227.5 Norleucine 1180556174 331546075 1138872014 515189554.8 1624268028 1024294890 1079823831 1013189550 1355160911 229840684 1093968701 1257011237 552495184.2 1387544507 709407014.4 927405887.1 1490450536 1536367327 996734934.5 273262823.5 181314087.6 540980411.9 346268091.1 365201990 425772440 1012164173 1030369110 762178764.4 786714647.3 713548488.2 520387044 206244540 143801663.5 149350821.8 167628486.5 118048672.9 121551345.5 199510623.6 110535368.8 303469140.2 119337633.8 177586480.8 138919457.7 146105188.7 128855443.8 132323174.1 136912101.8 140098502 107350964.1 145489774.3 348259795.2 126117851.1 82515045.51 71509533.34 161681073.2 161902549.8 128252178.1 190877168.7 148838624.4 102119236.1 Normetanephrine 958020525.4 181537128.3 1006582151 317001056 993875067.1 685640130.9 843957715.7 883281509.8 1259708074 112402981.1 875225976.1 1038543437 466747000 1128336836 624084381 694776986.4 1093769511 1195965779 857800285.9 159435318.5 109270101.5 347312142.5 162448319.6 176538656.1 256557486.6 698783610.8 786739004.6 576315829.4 546740598.7 528588011 12528525.23 12510529.95 8913166.05 8260630.394 13554421.41 8792452.153 53434263.88 5848063.517 13180366.16 11136713.45 9988761.622 8463137.392 14773493.28 12374725.84 13227981.31 11514209.9 12388537.3 10615350.84 13545311.16 12827843.95 15065701.55 15872904.4 12670018.93 11468448.39 19038956.56 17098219.34 17945396.48 13372001.08 18088827.81 18526737.97 Octanoylcarnitine (Car(8:0)) 5638868.078 2148885.97 7409883.41 1329234.137 13630305.22 5507210.998 6357819.486 11430606.55 2975446.269 1196622.681 4394301.224 6333925.617 1633460.523 1427122.785 965652.6146 10067339.46 3367986.21 4556440.529 7664039.306 1451870.422 2730646.124 5062289.841 1148872.532 3909524.498 3378534.297 1887592.549 4854876.096 3189363.533 1848382.549 2279792.71 6111313.441 5920968.995 7100434.952 5816766.722 5951894.825 8122468.51 5423576.848 5100393.642 6334513.025 5529994.184 4251554.747 6216433.216 5320039.905 4706797.751 5098453.822 5839854.439 6628431.963 10022185.19 5725432.201 6323397.414 7877566.849 4508388.001 8768033.56 7025263.376 7440744.312 4507742.623 4889365.487 3685592.674 4194198.09 7524950.177 o-Hydroxybenzylamine 4580083.714 4740291.927 595944.383 2831745.632 4632916.632 1877551.939 2371178.012 2158841.621 2848449.802 5111969.172 1938584.493 2884460.556 3090570.34 2619651.923 388737.3021 2390340.316 4761563.177 4811412.377 2742949.244 4601103.522 4404735.592 4944759.773 5020975.53 263148.8082 213912.9101 5033783.219 2640310.158 1985674.149 2822654.137 2481232.367 692579.8629 336690.679 0 60954.64611 478978.5693 212058.9608 0 0 42018.42711 144205.7791 574595.7203 144100.643 414188.8776 397941.3373 104397.3837 0 40082.98725 41272.01449 1406817.983 873319.5105 3138236.469 2334178.446 3393297.94 5582247.213 355719.568 180153.0947 347045.1917 180811.538 240095.8029 1078143.57 Ophthalmic acid 1489530.647 247428.726 2442434.886 592163.7487 1578134.582 617908.6896 678994.7308 2967205.247 1740181.438 209765.8318 431364.8357 2355026.46 930082.9777 2004566.68 744285.0461 389455.6319 714995.7304 241171.2778 7607384.63 519073.6684 395939.8647 1469306.137 760570.3787 1401051.053 4402626.689 5515168.063 2401064.998 1152577.047 5782755.508 2488975.686 2060503.048 1520805.77 3376844.378 1857482.341 1894353.339 1625599.715 1099095.478 8744094.609 575669.5653 414927.3027 1335724.225 1791905.522 463535.6311 268214.299 295526.1591 480564.5808 1449227.332 2012426.796 191296.4811 347621.8845 148175.6069 503965.1753 197709.2456 204116.4939 273734.6111 188721.3304 212705.2379 235428.0687 183250.2862 174661.0579 Ornithine 18210517.26 9682404.816 27946979.07 13019960.84 23905312.13 33723331.61 27799785.42 38323754.75 21677169.57 8309979.352 24360024.7 18748920.47 22342494.61 19233028.15 23023241.28 37339611.66 12174018.58 17989197.32 30429276.01 6784038.458 11668800.98 13972668.07 7707606.551 4595714.427 12704791.69 31465520.26 20275411.83 20263537.24 22937903.38 14008576.51 128365933.3 98318408.68 152563706.4 95802180.52 86578640.19 34291593.02 130425583.7 149411046.2 108183659.6 136108254.3 32421840.31 83455597.6 42360507.51 82693587.36 39042891.14 26572368.82 29877537.87 142900630.9 106564740.2 210919814.2 100459147.3 109143362.4 99780961.88 92435560.91 58252015.95 45796647.7 41670567.5 46160705.42 54154098.39 36018693.84 O-t-Butyl-L-threonine methyl ester 7750612.634 570621.2638 8270549.811 852921.862 5324569.975 4800605.52 6134936.313 6452558.211 8694402.96 277535.9405 5616329.036 9921177.435 3868954.44 5926631.558 6806544.22 3816305.486 6472507.673 7340446.363 9804580.574 930015.3013 762944.6279 1784246.415 802226.3315 1183651.026 3481537.804 8447637.239 7580892.694 6288235.503 10481880.05 6407365.342 4319665.818 4623543.31 1259780.389 2842464.268 3283373.602 3302611.672 1490280.786 2806371.301 981279.9389 2046253.564 1905734.908 2363872.668 1483457.922 1533127.372 1171870.373 1904530.528 3767782.172 2174669.412 1148382.703 1476508.19 1409604.581 1278420.526 1625011.758 1278929.411 1481661.722 1220341.151 1215611.937 1541257.113 1216464.623 1283280.973 Ouabain 0 91633.39717 375761.4049 0 0 488525.5079 0 334983.0635 0 1193108.97 0 0 95580.74389 0 732137.0267 128859.576 0 89645.11033 444770.6452 274563.4073 1124943.184 1022433.086 89567.26274 96264.70707 701088.9701 2032478.32 3042323.432 1001030.318 419058.4519 1410780.007 824506.1738 65633.09518 62207.08062 1415751.141 372790.2145 157427.7779 317052.6144 760534.9893 644554.4893 1280213.106 913141.0296 0 424185.2322 381432.3952 606474.0348 114048.3223 235338.0027 430531.5587 142662.1333 403532.9483 44484.41706 365262.0847 391639.8246 612468.5668 1968997.097 358583.3118 0 953331.1574 120415.8421 2170017.086 Oxodecanoylcarnitine (Car(10:1-O)) 5409315.996 840786.9732 4290165.469 807379.2185 5290266.901 3135080.695 4137212.558 4655350.814 4489546.948 296192.5666 2381650.341 3358172.49 2065015.386 2267474.517 1729904.979 2945873.507 3714143.367 2239788.513 4973336.979 817690.9677 1280074.25 1648635.444 1317081.438 916784.5438 2302186.891 3027861.171 4594839.945 3177160.323 3433616.494 1710224.061 3403867.356 2873603.673 2531464.853 2949128.788 2071226.003 4964588.967 3148959.135 2706985.892 1797096.114 2823635.891 1819955.873 2920886.117 1661879.288 1786297.145 1821731.013 2168052.058 3027623.477 2393352.752 1823323.593 1193331.011 2635478.467 1552280.106 1553357.08 2206341.768 1411713.872 1458208.493 1082898.227 936047.3476 1268501.6 1107005.79 Oxodecenoylcarnitine (Car(10:2-O)) 1304235.432 404246.2388 1487307.552 430651.6119 1563577.737 1068209.553 1317864.041 1425537.313 997884.956 95531.40677 831717.0828 707192.5038 1106285.617 2069732.127 44909.88953 2583640.362 1710766.433 1496675.772 363161.7457 108495.6638 1120867.347 492978.818 773565.6866 2162013.512 1031559.102 5416501.072 2904024.286 1100397.449 1411020.9 999500.1646 843017.4259 534258.145 384598.7937 653132.4249 502394.0328 1322494.027 567502.3735 855231.0098 285761.6202 852017.208 470008.3118 497757.7881 334108.1167 406353.9141 318850.3107 324696.4416 728739.7784 507996.9159 366450.5857 396815.2785 314688.4977 217178.3767 347407.8639 397449.5104 326361.7708 279479.7004 354999.8247 242405.1541 251522.627 298408.6093 Oxohexadecadienoylcarnitine (Car(16:3-O)) 2473615.151 704780.9185 5174243.462 856888.141 51742728.77 9069141.255 10457516.3 6114268.008 1826308.828 708755.6861 3516396.912 4406864.421 436733.8222 121217.5095 877084.9419 11347900.22 4476228.757 6218503.278 1132600.183 116966.9872 571572.5708 505036.995 387585.0827 326544.4943 1198554.898 1276891.849 803080.0009 974466.7516 418973.3698 917439.105 1335545.4 2622531.596 693858.0386 0 895192.0895 1264792.214 274989.4773 2158760.494 253073.3629 645001.6047 321071.3769 2120729.456 1202942.803 418908.8042 670648.1975 930302.5553 473737.6463 0 1040489.999 1341065.451 1491925.392 1509359.782 2218379.253 952529.0993 1937852.99 1545805.544 1138694.915 470231.937 1082037.268 1665310.071 Oxononanoylcarnitine (Car(9:1-O)) 1523277.4 315308.7239 1768808.361 304628.034 1187317.518 1699976.073 1431679.615 3048598.511 568207.5969 552023.6294 592950.7262 665925.6558 371950.0426 729104.9634 675264.1152 864405.2564 1386922.377 684262.93 892538.2287 203773.6869 748299.9982 992472.2946 268690.1449 363834.6439 1048098.544 655073.1274 948214.728 755863.9241 1043013.546 1689139.352 3216975.393 2018730.946 848557.4915 1309625.3 1601157.252 1780832.075 1045776.551 2185055.966 592869.3904 993097.3095 1430816.057 1169944.644 1128787.85 1047141.252 1099738.088 817291.471 1409966.717 835375.0894 1274222.694 1746318.729 1753230.293 1752209.277 1696400.594 1528369.816 1579379.437 1220751.599 1073156.778 1224737.437 1387790.974 1434629.456 Oxopalmitoleylcarnitine (Car(16:2-O)) 23208083.27 3261121.739 13129107.13 3707881.994 24129540.51 14731202.71 13123353.66 15199875.34 11705522.39 587458.5798 20842771.92 16433224.13 4527382.122 5040239.551 1982699.632 13502504.92 10283393.14 10813952.6 12217913.96 2276199.296 4580584.145 4612762.562 5487028.468 1927594.149 4687133.174 3131484.217 5912307.763 4627092.923 5506352.088 2450513.754 7568903.888 8190781.61 10529670.35 14232502.04 7273198.332 14737365.66 9834609.181 9875448.258 7037897.313 6878828.903 5057463.944 33449200 2426227.835 3380753.81 2981759.722 6342870.306 9950177.353 7256407.731 3842580.214 4426000.688 6643565.922 4310725.366 6765846.081 4954726.011 4592543.36 3260719.683 4484372.459 2211628.532 2848147.952 5295237.393 Oxopalmitoylcarnitine (Car(16:1-O)) 67236171.42 6501133.09 38870098.08 7741260.085 49477678.59 28207024.57 32906741.61 36085800.94 37362161.42 3341059.437 61051316.98 33994258.24 25880356.35 18680551.09 5156010.193 35882027.47 20401359.93 37773634.63 52887482.59 11258206.9 8407653.334 13271837.75 13913190.69 6116699.519 12206014.89 10160964.02 20484161.82 15630491.7 16971994.8 8080304.095 31082862.98 32753937.84 29461678.97 34927419.76 17395289.86 30663380.14 19205000.78 22370348.89 15340162.56 9617198.052 7746756.499 62516376.64 8282557.942 3981654.716 5948591.777 19366280.87 20050044.26 13954591.75 5115149.14 7790059.911 9213665.327 4941573.696 11024702.2 7379704.966 11790935.11 4191041.84 5441894.675 2628932.918 3454237.917 5616727.653 Oxotridecenoylcarnitine (Car(13:2-O)) 755854.793 421669.6301 887799.194 281512.8871 11136908.16 473054.8561 1275857.814 1690225.561 389782.6267 23572.85321 646551.6729 1672119.448 115195.1675 94964.98872 35399.23735 964188.9132 774622.8782 1257984.325 659020.0569 115642.6799 382919.6278 750591.1427 310399.3654 295674.1154 575547.7881 1880384.567 598160.0931 700602.2899 1523665.727 439214.98 1838347.714 2444869.447 2323925.718 2552932.118 1790681.437 2349486.246 1954249.083 2475203.665 1329745.57 1458003.187 1422480.736 3035389.962 932513.0513 861353.7504 229720.6779 1351627.542 1809817.142 1005196.543 1436536.44 1206555.981 2264062.87 1510828.297 2058587.527 1807359.246 921966.0168 933610.2392 998726.4474 557060.74 578111.7591 1372564.195 Palmitamide 5019304.144 2971920.653 4122258.746 1618711.463 4067799.155 4558222.712 1636420.167 4586426.67 4262183.824 1533956.042 3981141.613 3513917.567 3902402.029 4981342.037 2080200.333 3712105.143 3174441.677 3906659.201 2602614.767 2459112.533 3573550.596 10117742.52 4392240.054 4125425.819 5538648.279 9570279.037 7411025.657 8907163.833 3528230.862 9492032.382 6856747.07 8381940.15 6874480.936 9799043.588 6388857.866 10062916.09 7650967.198 7795364.257 7407439.769 8993249.079 10071962.7 10457333.98 8098507.72 11213016.63 12227532.73 17287203.37 15791979.75 11433732.33 6880377.995 10190338.53 1390960.236 770554.5536 7525433.628 907898.1232 3062882.03 1254428.21 10565328.8 5793761.168 9763876.582 15158208.36 Palmitoleylcarnitine (Car(16:1)) 84938095.53 10537467.75 60537069.7 7933346.321 113035768.4 63122064.78 52897759.85 69826732.93 45533323.87 3703834.414 63464741.76 58356984.21 32452915.41 24753146.78 13836183.75 56280495.85 30657118.12 62412883.59 120587718.2 18008250.59 21885999.72 88232092.61 23689773.2 27085478.33 34656616.37 107418273 142784778.3 69016839.25 50274512.04 58089199.65 57629305.86 66940192.23 65508228.92 62807966.41 34503741.04 57589806.71 41933139.28 60817416.19 36034919.81 21995691.84 19167102.86 93057309.49 17208614.87 16103780.23 17915017.26 38238572.13 39038156.28 34462358.02 12397700.12 19914193.12 22246207.49 13519522.1 24254603.53 18039955.11 16699317.23 13952135.6 12406333.18 5897163.706 10155812.87 16605871.99 Palmitoyl sphingomyelin 40037308.56 998713.7926 27542412.77 1073848.297 34428599.12 46232034.04 21441784.07 32762959.41 29135642.69 2053334.933 45395744.85 34901484.33 11652301.75 102012319.1 22103633.78 3711746.69 40827616.51 44591001.32 30576631.91 2783847.854 1464414.813 7157391.18 2000315.521 1555087.641 5478850.292 13448631.29 79738259.32 13441742.68 61941331.48 25515430.96 14254601650 17593777984 23139419464 21865336524 14053378514 17192787711 19048661960 14833198101 18229229697 19880288466 19929071423 20879025959 8266406674 7562465031 8515271449 15090541933 17414522730 18819781006 7348059043 7530756866 6362858428 6773109792 6302115318 8107397143 7792690832 6174074818 6974598863 8071579318 7381909593 7325903936 Palmitoylcarnitine (Car(16:0)) 1433381682 198916471.4 981394189.7 180786738.5 1433053160 855076566.9 938753966.1 1263556047 931906286.1 69998171.18 915456791.2 1143312464 416675494.3 480809306.6 189118777.3 1005095493 794133054.8 1355865878 1359536299 205293658.8 375547860.3 605769539.6 317573637 394408884.7 473673022.8 728575401.8 1139129634 923823382.7 826400297.4 539308085.7 124992764.4 171747666.7 193983709.1 195304059 101762044.4 233010404.6 166727715.7 226429302.3 136766922.8 97218752.1 71480315.46 212734714.4 56839675.13 69976802.35 78750802.36 123854444.6 168661585.9 122040949.6 49343911.1 54619983.23 56208659.1 46005376.66 72261511.62 65759385.03 47847745.87 50466741.49 47420713.09 39861605.95 45111100.87 47303266.49 Palmitoyleicosapentaenoyl phosphatidylcholine 6979339.202 4889489.322 5455886.405 6853933.674 18924631.8 8042058.497 20822924.54 25424446.62 9901234.555 5959149.847 20955149.04 20804165.93 24002038.21 26483433.49 27823215.91 17218916.63 23467986.6 24988718.25 35005206.01 6789693.83 5635884.778 3960087.16 4616138.698 17004456.79 28550125.22 4650544.751 4132201.483 3028772.104 32833023.93 4139821.924 149126440.6 166668251.2 141261533.6 149778658.7 151663879.8 154043663.5 157593999.1 167093351.9 134191738.2 141320941.9 130080491.8 126822782.9 173356660.5 178864138.9 186109954.2 180305767.1 156701595.5 129673342.9 169577617.8 153650048.3 154981977.2 165536977.1 158833456 179702609.5 196681968.2 229868576 177381777 156684216.2 182920696.6 164067478 PC(14:0/16:0) 122510906.4 51232863.83 198517074 60032851.6 77968774.19 72659986.44 171192644.4 146005972.6 181179870.7 134725809.6 148482685.2 109901093.9 266165652.2 229207712.6 166393252.6 139429684.2 191048655.5 180787233.3 334118078.7 143494686.6 94135629.28 185470939.7 115858449.2 158975549.7 213781821.7 67901484.42 125363386.3 43601368.6 309673175.7 105034436.2 20357072.88 14860308.38 16559193.18 14305440.51 17701654.03 15409883.53 14388226.4 12071470.57 15477156.55 13181193.02 10784465.45 15740325.16 23124915.54 17015252.88 24154703.73 16877917.65 14825337.63 15596347.76 24998948.29 19913565.53 19888888.45 22085707.33 17125372.31 22136762.3 20460916.46 17640400.77 20691299.34 18722523.38 20078501.27 15340858.03 PC(15:0/20:1(11Z)) 19700073.12 11009635.64 19790385.38 10472329.86 20880978.3 27439816.68 17580334.81 23368097.78 18889853.11 14021200.81 28137204.24 27876735.25 41528741.79 25192525.9 42919068.99 34069286.79 19448856.21 21249486.4 22458680.75 14029972.23 12716751.78 14135846.67 13734722.88 15019982.25 42358715.12 9384066.58 14140492.44 7975828.316 32179615.23 11801181.17 76015862.51 78395304.71 73226622.07 72561631.72 69339409.66 59657346.05 65618736.87 139523562.1 71215625.28 131948491.4 93506495.56 76380869.01 102780938.3 95238961.54 183856059.9 78294710.52 74021984.87 81897195.5 93180660.64 89468840.89 82784422.71 88448204.19 111767962.9 86576679.73 71984448.18 83427643.79 88728438.67 81915749.97 91350835.84 75358663.45 PC(15:0/22:4(7Z,10Z,13Z,16Z)) 23274318.58 17606207.95 19730628.18 14016855.71 23370936.06 32092824.74 18537944.63 26234704.88 26641411.55 14440528.37 25391906.36 28774968.29 26572421.86 24731429.66 27093754.22 26223983.93 23532166.11 22063920.01 28017209.79 22455410.01 24689228.77 22807713.53 23229321.06 26981774.79 30839027.93 23506106.19 27700011.84 24144782.03 36011746.4 24388166.57 77864284.41 78689503.19 63278733.83 85005091.36 78688678.78 75990299.79 72473832.8 55983951.85 75306819.45 84292035.89 72074429.47 137362799.9 98910932.73 96446780.91 101908630.6 84914895.98 78055751.14 62343739.57 119736935.6 119926229.1 112717996.9 137049130.7 119360532.2 139381328.4 99567910.4 119609918.5 131340211.7 86194421.49 114023143.9 110893622.1 PC(15:0/P-18:1(11Z)) 5802054.782 4320833.348 8705874.047 3613462.815 7445138.715 8035754.084 7297474.828 7114037.238 4953685.049 6356858.87 13692296.9 8962821.333 3879234.555 7035472.43 9754283.369 6354357.748 5227472.268 10049270.13 5677254.137 6024185.97 5713220.048 9270908.819 7077076.745 5871023.566 13664886.05 5083822.002 19786451.07 5400694.649 13408277.97 10050736.23 16095612.82 11140045.62 19361530.63 10155475.72 15309822.74 1023394.157 3516717.456 9901065.795 2580311.177 28500965.09 40177388.07 1085175.087 42778823.39 28807352.45 23034896.18 20482654.63 13911333.15 25642269.56 21905248.33 25089944.51 18795150.33 23389017.76 16532136.62 16725445.15 19185708.11 22591616.2 23691681.65 24693537.07 26046781.73 17652206.15 PC(16:0/16:0) 127016935.3 909966.5529 140607276 1405283.257 74659055.78 89926174 179778315.4 128400891.6 92217813.47 545583.8587 288034262.6 81077289.08 1601272.258 110168172.5 85746340.24 23215220.95 122119293.3 113900066 98960643.82 1031564.488 1324950.325 895752.7441 851423.4536 1500798.01 1921782.801 54293187.6 405931944 60863588.01 174862244.4 98693800.35 92183030.23 78082880.14 89471733.37 80432610.61 97705088.74 87775951.66 87297675.53 52590517.36 116113189.3 93885946.79 86893093.21 55640372.05 153653361.4 123400251.6 142181062.3 102693258.9 77956488.09 81988782.39 127843990.5 143716628.6 115864911.4 91811726.25 107841144.1 113589667.1 92077915.71 106449204.8 117811887.3 119269470.7 129783687.3 93937302.75 PC(16:0/16:1(9Z)) 63891567.47 12188161.31 58138404.69 11037920.51 63408233.15 72055611.63 68324857.98 8875649.497 55516169.42 17908064.43 13904486.43 63344023.47 30163178.89 57377743.59 17107657.28 59288664.1 83155980.01 46758674.43 67177653.06 21546849.53 15272627.84 615648.3955 292699.2635 33130146.76 8999136.395 1765063.24 2931855.641 7613553.66 102547000.4 3317380.596 11440643.13 13173313.28 13553142.26 13517301.15 12047815.63 13364301.92 13383190.74 14106403.67 11592378.55 10229783.62 22073221.51 13203905.32 13756698.27 17466488.09 24691126.07 12393292.3 10769250.25 10107160.05 24761423.58 17624162.1 15234625.85 17627359.77 14429211.32 18615034.95 13194234.75 12007147.85 11676360.47 13492599.72 11675036.45 9286175.846 PC(16:0/18:1(9Z)) 409074623.3 632368.5511 482002557.6 274958.9858 386894959.2 413909339.1 533611735.3 428402423.7 453838040.4 865827.942 689441275.5 513549439.1 10545540.82 557735285.8 463883242.6 278503898 411394071.3 435232987.1 368847642.4 1011116.439 614029.7183 353369.8608 629718.2961 726467.6782 78408712.69 292255822.2 368343795.2 342810519.1 443946427.9 328939789.6 1116679060 1456111024 1573158386 1397168554 1559367351 1351599066 1361207496 1642063910 1660960201 1898414929 1272753953 1313897010 1142635784 1199233425 1962757044 1521144823 1121209038 1448301351 1113182712 1809079917 1156231938 1265399628 997267570 1791247135 1483843741 932288370.4 856193101.8 986667619.5 995690490.9 801781417.9 PC(16:0/20:4) 464331538.4 105261871.8 422507740.7 120759565.4 405950959.9 443393320 391979885.7 468429512.6 628991236.9 129164438.6 181581500.4 452510901 268958741 454906311.5 51888670.97 355937680.5 467509441.6 430515696 494598347.5 156274364.5 95012461.9 120840391.2 148459268.7 295389929.2 314579126.2 141227493.5 124561934.7 103162488.1 499619618 114066350.6 38907714.36 46969773.62 50493766.04 55541657.11 38842150.58 121388244.5 71738075.72 42604403.99 68755124.63 52847590.46 26855101.87 113976370.7 274139797.2 26948780.88 39876397.79 299485068 62530428.4 29904275.79 40336203.73 41511796.49 31446009.27 41588376.26 29757064.25 55713403.06 55781516.19 38961158.31 44838671.79 25452473.07 35501300.92 172701942.9 PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 12064792.67 2242938.664 8556309.327 2454825.866 6658968.092 8858916.209 9998545.933 9429783.744 13222783.69 2028730.621 7050939.503 3922107.801 6870808.665 11250471.62 7917463.265 7370416.889 11275668.05 10039697.35 10049683.02 3470279.57 2775712.872 1756429.386 2287492.297 5503590.733 10659322.47 2349809.823 1680685.987 1706251.828 9132908.023 1836178.57 15361505.69 24371649.38 19685817.83 30661883.4 20830094.15 31018085.88 30126082.08 15983132.24 26929466.8 22381475.01 17753067.17 28346429.58 21213543.67 22574651.61 28056765.37 27523331.32 27086976.08 13028758.31 27368674.38 42119909.62 30104587.19 42861676.45 33539928.13 27827640.27 21711315.26 23908277.3 24177855.95 16182726.69 20873769.11 19519845.89 PC(18:0) 388239.9564 39572.5026 274397.5482 81415.57391 559806.4109 708083.1643 266085.5452 726147.9727 308962.9319 5512.476658 407804.8485 198803.5589 361726.4338 584618.4737 874702.6938 247848.61 188586.3173 302013.8728 1470985.3 136081.2606 762669.4718 860031.5991 216131.6982 1373533.571 964389.4692 1950121.675 2460919.354 1654089.752 3282093.007 1758783.581 516684.7233 547932.3699 568180.7948 558582.8963 658866.9064 390960.3805 727094.5465 666194.6312 343609.8196 369212.1004 342523.5187 451244.2521 866754.9433 743599.2114 929995.6737 565993.0289 615412.6541 427822.7524 369890.0918 840388.4304 600054.566 580583.6883 544046.9875 546515.1993 598730.4346 643913.8834 699621.5134 692514.7627 1038035.57 616106.2527 PC(18:0/14:0) 10479733.14 5696040.055 187509513.3 19568804.3 28951946.04 16341740.26 95598904.65 14927062.76 14247202.38 4365093.413 1411139002 61695922.05 56974145.82 11496930.51 12407687.17 85812895.14 22684184.52 67979911.67 17105243.52 7734489.027 3937574.849 25601559.05 14987290.95 204560633.3 8293524.791 2785437.495 10649360.37 2445002.41 283905586.2 6780682.615 32726921.24 30249128.9 25572447.07 37937115.56 24663776.36 8044753.148 23088598.32 13653831.46 22351337.97 29015668.01 28744575.19 2308764.803 2567331.492 1391729.771 6784054.524 1661791.051 32009986.93 22773774.61 1938171.828 9766260.504 9543931.636 1314210.664 12050549.51 2212268.853 11161487.99 7056680.43 11119711.26 13230318.09 978864.6441 13087458.95 PC(18:0/18:1(9Z)) 1781804.08 519157.608 12376504.4 630890.8877 3158683.972 2126714.083 22767687.68 2293195.152 1419149.282 686729.7434 8943378.235 21237656.08 1197956.894 1248426.926 10258932.41 1159435.199 5973491.956 2288530.673 3395816.23 893246.0364 602537.2415 1293393.83 1129383.58 804742.0677 1055637.063 670420.9863 1070476.686 576730.5396 2025308.914 582140.2043 1005796770 1112502127 1148025196 1129122628 986399323.9 839528867.3 926152175.7 1281091308 837369457.2 1032863600 1459523449 871127942.7 1226789231 1166517985 1205475407 920168595.3 1024335605 1119367211 915663306 867787019.7 866227340.7 888915638.2 718552145.5 877583620.1 969814036 1002123625 1008660223 925720419 1068466460 903198455.7 PC(18:1(11Z)/15:0) 47992772.49 27148563.89 66211749.98 23971356.38 46648150.76 54797166.71 50057102.21 56212266.56 44651854.71 46137916.25 64882813.68 52566895.57 92683996.4 73851610.25 121978440.5 76564911.67 59446861.72 56389721.53 121143214 64283284.27 39617221.52 55088766.74 47684351.14 50559461.24 101248284.9 29436759.51 61964388.03 24740076.35 144582919.4 43544573.63 38850383.45 39523349.25 38400517.42 33283505.91 36483814.01 32848262.28 32342646.14 39191145.12 36989105.37 35359368.7 36733166.72 37416860.09 63099143.21 53438128.57 82422675.76 42956190 39837871.35 33940590.54 57681806.04 62614413.51 52322131.28 64362711.19 36813418.94 52640253.85 37999278.59 42180665.77 39578775.87 36108894.37 38777387.72 28379418.42 PC(18:1(6Z)/18:1(6Z)) 3147838.723 1473979.884 5801980.708 846057.169 3631400.579 2473682.224 2537222.363 2610167.53 2845455.543 1061871.242 16956921.7 6195471.905 5193604.829 3969691.934 5053387.256 1585796.292 5424781.51 2777164.443 5508992.579 1760512.634 922807.8698 1197289.082 2820845.021 25638121.76 2962546.107 1816737.367 1539636.58 1304622.103 4354224.533 1271776.576 118811604 169296183.5 180192070.5 156004841.5 666357748 264594006.2 175883856 1084051734 162990123.7 98776577.55 93694586 259919992 135957268.6 625892404.7 162756772 709268261.8 871501119 712824205.7 98301401.53 54665656.74 456221891.2 636138345.4 348644957.4 628447353.7 159754691.9 101113699 637092806.4 91182907.21 744929926.5 44420180.4 PC(18:1(9Z)/18:1(9Z)) 8835995.99 2769097.213 8407362.296 2769503.626 6327618.469 7565986.171 6857672.64 5621182.674 8164768.517 3332719.998 2110067.882 5074442.094 7129430.323 7121160.715 6996723.136 8227792.587 6506804.987 7604572.218 5740249.317 4576731.006 3455565.402 6024494.703 3377587.883 2958971.68 4205484.249 1898807.461 11841096.53 2514024.986 8143889.76 3157179.196 118811604 169296183.5 180192070.5 156004841.5 666357748 264594006.2 175883856 1084051734 162990123.7 98776577.55 93694586 259919992 135957268.6 625892404.7 162756772 709268261.8 871501119 712824205.7 98301401.53 54665656.74 456221891.2 636138345.4 348644957.4 628447353.7 159754691.9 101113699 637092806.4 91182907.21 744929926.5 44420180.4 PC(18:1(9Z)/P-18:0) 16900914.36 9268481.269 25736272.84 13901825.03 9802259.143 12083817.5 26486917.43 18352991.62 13086500.86 17380473.94 23392116.19 27372004.85 24668357.52 22710620.12 24556664.86 14609562.19 19645986.96 30118083.97 19913077.85 17126386.1 12278420 16791590.73 14596932.04 10126497.73 35743291.01 12738828.92 14776193.57 10306133.83 16088160.96 14493697.07 11108045.92 10495453.22 14357111.83 6821094.496 8243986.456 76782435.68 5523604.849 18952536.72 6348771.966 19935295.16 34243629.85 1441785.844 15872286.71 17603160.03 16805948.5 11830862.75 11978999.97 22786135.21 9781060.522 15267601.79 15718547.79 9930064.267 7591746.055 8306994.88 17389870.91 16199857.5 14562714.79 13076155.51 17890799.58 7896864.229 PC(18:2(9Z,12Z)/P-16:0) 46200998.02 20801491.96 35775964.47 40476782.85 39780763.07 44849695.58 61186514.59 48549170.36 34030186.77 24877947.14 51752896.33 77755198.34 36256381.49 28357643.71 39547317.49 37972671.32 36288323.94 71616373.11 37103325.8 24147173.38 22829441.45 14467373.9 15671654.82 13590627.9 28472184.55 10409638.26 16538926.05 9518165.702 27132703.64 13948297.98 18028410.66 15293918.73 21034865.28 10073444.77 15162419.24 3925095.171 11127234.75 22457496.47 11269685.87 26147167.77 19160694.28 6889874.21 29681611.4 31219790.96 31169791.06 13343588.83 12738305.28 15688061.86 25496874.46 27142732.67 18609411.87 20700482.87 19578711.01 19426743.64 16690648.87 17123827.01 15707293.04 19220016.37 19768166.84 18511707.04 PC(18:3(6Z,9Z,12Z)/15:0) 38219027.03 15148158.98 36086547.29 15106272.48 25459273.53 39692340.78 36689035.1 33737055.05 40109110.08 17714266.14 37724675.27 32711658.23 29276571.65 35129387.86 35771637.76 33680655.31 35440064.03 35938777.75 23636156.45 17323169.35 13438153.41 20521842.67 16587296.93 52848935.57 15706094.32 7131424.877 34453937.56 10767551.5 30541053.36 12707376.4 54820473.32 66516897.64 71916559.96 70483636.7 56017711.72 54051291.73 58081474.5 48881517.23 59442204.48 69765887.37 74207668.37 68893632.12 47101122.48 44408887.95 38979247.5 57710165.87 57749509.41 57819249.08 46225467.64 44303114.89 44015306.37 48963208.92 44185483.53 47728768.17 46844924.1 40777554.3 41208935.23 46106442.98 39957073.2 47724839.62 PC(18:3(6Z,9Z,12Z)/18:0) 602340.1665 231343.0445 3487850.354 308408.3903 693829.3996 1420963.452 545224.9088 589998.9296 692281.5795 177290.7694 950416.1181 705436.3187 1541833.927 617488.7052 716244.2067 1042479.399 683483.882 531787.5421 672796.5905 148526.8832 97159.18762 74042.26827 144980.7072 347093.2741 387923.7287 35093.59149 35092.52756 24418.37636 714600.2488 21144.4982 27712766.8 4938183.962 32774878.3 60018690.47 7210527.16 6820440.152 29983695.09 8522366.061 31107858.53 36241959.6 32079348.65 7160714.335 5627888.715 5271372.311 7334248.876 3275145.838 6643479.641 33697358.5 4800453.36 3995508.205 6117283.473 7467771.299 9430545.335 5959196.871 7761518.097 8766709.763 5010131.619 5028474.009 10386435.01 3925884.027 PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) 13029872.46 167550.5972 10152592.74 228342.2478 11403906.36 13234944.2 16197267.68 14238362.9 15274104.3 360902.6118 18757444.39 12790950.87 34791735.03 34179552.58 10425183.13 43032961.18 12857208.93 10381217.53 17317855.69 362501.6646 315195.9952 242410.1272 312773.2411 641304.7906 143299500 74926799.8 51253529.66 97898613.15 35413854.74 64165714.72 51097374.33 55813696.71 49368937.89 55587554.82 55445333.75 71231204.81 62514621.14 48956284.38 52395550.84 74645891.96 53738715.74 49461736.56 47359374.2 48587003.17 52101706.29 60056566.32 67072883.74 43640715.69 59828038.78 61514997.17 58111524.62 67186843.07 70463586.18 68842765.63 57530913.37 62954137.11 63297165.65 43093487.89 46660942.4 50416612.23 PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)) 132977780.1 2827450.835 12634999.07 4872198.705 10857006.8 9376238.943 8922178.696 9714799.847 13073696.76 4855817.954 22081935.28 11960165.27 21892303.42 11126709.85 10161198.83 8406489.868 37833157.71 9421168.289 43941759.58 5408823.22 3171718.006 3417781.215 4907693.596 24351962.81 4829037.919 2112553.979 1651027.491 2486652.59 12935317.74 2231152.667 13636653.45 20906156.15 19715872.67 26244185.74 14399823.08 46080457.65 152285557.8 26361636.37 25837165.06 20521330.8 10664931.93 179080374.6 9429548.612 9756658.94 12741103.96 13539844.57 25219363.93 12652613.49 12339337.15 10821620.73 8936991.622 13425488.54 10912569.8 15441707.78 11221455.59 10148197.81 10730124.88 7689808.648 9073545.413 7953303.001 PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) 6457379.719 1572254.857 3792768.024 1544283.71 5872165.346 4755119.309 3824626.436 5639452.903 6546667.064 781407.4329 2976871.139 3743224.756 3001905.209 3466614.616 4866413.597 11314874.38 6312945.783 6485248.214 4566562.349 1686856.049 1262887.078 596687.307 1037412.413 3418190.68 2418233.754 467591.8599 390214.8838 597848.1577 4561437.346 273223.7404 65877685.38 7435495.708 7062202.293 9648342.629 1943637.423 9533803.295 187906978.6 285364115.3 2520751.523 7461823.973 3774302.101 101097506.9 5039356.9 57076138.95 6477288.087 66335200.99 103924334.7 174219847 23759642.33 5931583.308 15097396.17 11126069.09 36219435.74 42305634.48 25615765.4 26380838.53 4799334.146 14870909.92 4367086.658 3516196.118 PC(20:5(5Z,8Z,11Z,14Z,17Z)/15:0) 35622856.98 14856853.08 34189125.55 13685449.58 27703883.31 33779977.86 30364256.57 30765384.16 36166475.67 20610681.04 34502716.23 24418934.41 43456385.91 42485086.72 42255230.45 31131096.41 37629069.27 36894248.99 41597551.8 33636142.44 33029250.97 33674349.25 32703313.36 57066986.59 41177175.19 37060364.73 32236389.89 35290740.1 42219515.89 36374825.34 8413227.913 9806850.152 10573032.64 8266043.932 7950975.1 10321171.5 13545781.27 9620012.085 9942761.193 10309500.98 8471327.471 14399336.44 10607275.54 10423281.55 15270649.56 9625614.271 10538288.33 11086251.89 8903586.313 9028329.391 5486455.897 8556997.371 5614626.56 9701915.127 8808818.772 9192514.64 8076189.975 6698353.792 9701806.524 5743653.118 PC(22:2) 40157972.82 9364982.228 13898957.12 26016577.32 12048509.2 22126168.3 38953860.02 13994266.28 23526616.84 2230740.384 29694648.16 47193376.82 9367102.734 37241860.46 24434296.3 8974277.136 21558873.79 47656016.43 27660804.22 11001595.04 23704184.82 14926399.78 9460927.153 10014767.04 25866531.97 29849373.15 18910900.28 15153121.64 35873483.33 27545745.7 21704737.81 23608975.89 21191978.61 17803588.34 20994607.17 16683830.81 21446873.11 53149521.19 12343818.13 20972886.41 21735909.67 13798908.26 28302009.37 31006884.51 43599888.8 19370650.41 25592541.52 17752175.3 30784882.72 60219848.71 33876995.68 40103167.79 32941404.71 30632347.04 26761759.75 30021149.36 27383990.94 22904844.23 23958185.25 23036776.17 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 32476612.09 17141602.28 27787784.56 21026816.63 22264862.15 27445714.29 27547323.7 25177140.49 31295008.03 12687265.76 28216351.44 31489506.71 17895681.41 24521156.08 17456369.22 21559314.73 24139172.45 35573050.34 25562560.32 21744074.18 21269760.52 20716560.41 16479410.65 15691489.79 23741883.19 17624436.36 22051861.57 15641284.97 32174833.85 18573487.38 17550554.59 21417641.91 25217074.33 15497511.21 22413313.5 14126150.02 20176443.18 23953833.65 17444435.75 27331374.12 36738109.25 17375921.04 31685882.76 30861247.58 33554382.48 19991624.59 17551753.06 14408131.41 21877673.67 24995140.87 17829741.55 19435586.71 18563275.22 18510291.04 26706628.65 16020677.22 17887267.12 22685582.25 25524357.32 20136114.95 PC(31:0) 1911054.291 352762.4643 2964441.951 218106.5505 2701623.061 2779994.347 82618.65466 1985457.535 142371.8752 125098.6174 92507.33139 3012815.596 506299.7133 3039083.064 4056066.46 1412972.65 2214486.746 2965424.955 87486.19534 267301.0441 317854.1335 508375.8793 274886.5666 265148.2175 95177.79181 2046986.54 10391908.12 3627359.63 6958086.617 4272908.873 0 0 0 704808.7086 0 1233930.8 1053234.394 0 0 0 988687.7786 0 1222822.054 0 947038.5355 0 0 0 0 1131452.228 1360488.04 0 0 0 532763.11 0 0 0 703607.3593 0 PC(34:3) 6140473.816 896210.8357 4747481.681 6266405.629 7558031.527 15087671.88 15722743.26 15453852.47 26787365.81 1059971.808 14205427.73 15630963.86 6450202.81 17414001.95 9094488.194 4932297.958 5306842.001 6595226.414 10453898.32 784154.5447 1753392.178 2493194.562 3162829.03 13600454.76 4167972.888 846896.2733 2293593.488 587928.2956 1067497.773 1487983.186 24327522.48 37687276.57 29332202.05 28285780.97 33797390.33 27378871.07 28962207.1 34527660.66 41783558.92 28088622.07 24967002.26 58240688.04 32122014.52 35244921.11 36737568.25 37420446.16 24516871.61 17377927.56 36357126.33 49958830.66 46026518.79 51040783.25 42797714.98 40013948.67 32719741.75 31086210.59 26781040.44 26431365.31 27283287.92 26116248.7 PC(37:4) 12180175.98 6203627.073 13971501.36 6072511.662 15122490.96 16904115.65 12822582.72 12312063.18 8451167.287 10091491.18 15559284.26 13076252.8 12353573.56 9896502.106 12929203.29 10982925 13718091.93 14541403.47 12895164.86 11967143.19 15348544.15 26426548.75 17031232.94 18365121.66 16402625.63 30929287.91 40462631.04 33426774.51 22370943.86 34840010.49 23511245.19 28966671.55 21778710.91 32984136.33 26019270.77 32659280.11 32138458.69 19912158.19 28589109.28 29123787.43 23371784.66 46186783.49 25143882.61 33142498.54 27971444.37 30285004.86 28498337.47 18442004.6 36585442 45793753.19 35686296.83 43427999.61 40309842.28 49288466.23 32881394.45 30013955.95 34021680.05 28188035.36 30869163.8 28269725.9 PC(37:6) 10770678.7 1892654.53 12802816.21 2348972.965 10152843.48 8681681.319 9478125.614 6684161.937 5408050.531 1086266.844 43960524.69 12441161.38 1624575.134 2220568.636 2145434.142 7742024.484 10003283.66 7751188.267 1844058.766 3165831.519 2809943.78 5012727.007 5954591.195 12807372.56 2068608.369 6832535.375 9222320.818 6834538.083 8275388.235 7293150.876 8051161.771 16849709.28 14330614.1 12883957.75 10696527.2 10785429.53 41486740.19 7549866.686 12089060.56 9142388.805 8816342.344 18883355.51 4353394.418 15779052.59 16159205.86 7069138.332 6793067.327 17511786.78 6843626.572 6700826.702 4955597.033 6072609.121 6575167.759 8104049.558 4524418.74 31921699.4 5468053.631 5691358.394 39924980.67 5443057.093 PC(40:7) 20806959.8 4088844.641 5842574.811 2087415.903 14512350.95 15093480.05 14093107.61 16013913.28 17127785.28 3548555.02 28157336.21 14743642.06 10707207.55 13258668.23 13496129.95 13163563.9 5377807.03 17906203.86 3753748.214 2001309.181 3835763.943 3461900.686 5512405.51 7191070.94 8086801.781 4195794.145 3945935.145 3764167.675 5697461.19 3208397.8 12521849.92 25290278.25 6132586.121 6071248.551 5245863.275 12942345.69 45498891.98 15621789.69 7329603.864 9714070.311 27333333.97 70513636.58 2357500.625 1983251.89 4979460.692 22330466.92 8805400.831 4147923.16 5701123.578 2383647.124 4195831.086 4177302.885 3009398.559 4119180.853 3298792.457 3833632.956 13023894.06 2603061.017 2701174.442 2396225.47 PC(42:10) 254552.2121 1160066.066 2007560.994 307891.5835 695544.6231 549474.9561 2133668.005 618039.7785 1692856.298 2297739.302 2402761.066 1406758.254 1433417.353 1512434.441 801713.4325 1609250.659 1271896.819 2987898.821 1938489.794 1900309.561 1282043.85 1689030.578 806686.8528 2651593.915 1439341.883 0 1574119.493 0 1630590.858 527809.4318 27960178.14 29767198.48 35493851.78 34930164.1 28720176.24 34425780.34 40561334.06 21906609.4 34575531.28 36203141.68 39721033.37 28939008.69 25715244.07 28175268.75 31490841.4 36283928.16 46120349.61 24906269.01 28847239.87 35754453.79 40735548.35 42780201.25 46608454.47 36300634.37 27628001.76 28626970.98 30613857.55 28271198.16 25038703.64 31300968.72 PC(42:5) 9923123.423 5226695.095 11678444.87 5082797.189 8963972.444 11673735.56 8999084.751 8541680.013 8800533.874 9146135.392 10184901.5 8277854.202 13380070.36 15712861.84 16506187.73 9450753.007 10589665.23 12372967.78 14803129.03 12242253.3 10787914.02 12338546.9 11216282.21 14001702.18 17027603.98 12914827.31 12265836.24 10723578.65 22044363.88 11464763.99 40713498.1 27828978.91 41378041.39 24394501.44 33875128.27 14780889.33 25726778.35 53348456.17 23784773.86 63511407.95 106146901.7 8966813.941 53926944.71 73965624.68 87957627.82 34063401.04 33460077.02 51438876.06 45972170.24 55590167.49 48481832.23 43302575.05 26797995.34 41058825.27 61892958.7 56909557.45 48454815.61 52105211.29 65498500.8 41736884.15 PC(P-16:0/0:0) 332481588.9 45605183.14 186097363.6 102066024.6 307947914.7 263473936.6 301631308.3 814272355.9 273953985 39209898.65 233790015.3 429907765.1 177283138.1 991289784 275676943.8 113341635 151887173.5 227857865.4 1363279294 586119634.5 1833061443 3358288852 1357262583 1165005914 2246158049 8078107805 6531051703 6717350186 2794378218 6601315291 78592226.28 68931615.48 63006587.81 49919492.6 59909781.77 59849692.07 78422298.62 103368841.9 68369754.28 91699800.49 95389122.16 54126823.96 61663786.43 88415687.04 74407965.3 59862965.45 58091664.5 68875397.01 49536948.1 61765076.97 60562238.15 64939265.32 63325918.99 48582768.84 64775490.73 66457676.38 63237824.91 71424386.17 68098550.99 63460240.52 PC(P-18:1(9Z)/0:0) 32298345.47 3487003.839 23855279.89 8650723.188 28467612.52 26331391.19 19793089.7 70936304.8 23604744.47 3710297.755 20369444.37 45865713.39 18696534.26 69852684.92 35588171.27 10419133.43 20780216.44 12205777.6 87676463.91 45400286.35 199829727.5 301629560.9 115279369.4 147633770.5 148949331.1 583094312 597909494.8 5579923.781 228521392.4 490616903.8 15299083.36 15037399.24 8016643.696 18686056.89 15311788.64 14382041.13 18961931.76 19007779.18 13179879.88 21752107.69 44830820.28 24649671.93 8764767.439 10446715.68 12224097.4 9960022.592 12578286.81 14037388.09 14302872.88 12561089.99 13976203.54 10864470.81 14932493.16 5752828.787 10773543.18 20607275.1 12153147.6 18051683.96 10881121.56 13461148.42 PC(P-32:0) 3414632.349 589746.3743 2235383.862 687950.5664 3347451.544 1692832.633 2534385.067 2459193.323 7553617.914 2023920.182 15678111.81 2032610.694 5382900.212 1723179.365 5626312.108 2386257.539 5424980.987 3951448.757 408253.5126 2858985.874 972900.1905 3978821.882 2399934.263 6413690.262 4483199.097 699915.3752 3208724.037 472731.3355 15592994.54 1664245.473 4166828.155 2809823.251 1870974.136 1189521.058 3217347.66 1410930.27 1554158.876 2204395.145 1651287.856 3377933.607 4035230.277 2795917.146 6620533.294 6325821.749 6483698.084 3070334.248 2230357.327 2213488.58 3300264.781 4771901.43 3368371.443 3359251.291 3146188.577 5012090.319 4221674.618 4559542.056 4300461.753 4249641.32 5895302.223 4005698.642 PE(18:0/18:2) 3270479.355 1072035.224 3800488.083 1354600.284 3215558.766 2645159.086 4650303.827 2925026.891 3619125.027 8437287.427 39001633.68 6614012.151 2878732.404 3946964.463 5406374.925 2346380.118 4096302.899 4332064.705 5056006.803 1525899.398 837057.1542 1642275.724 1597340.103 17353852.19 1431325.828 298304.576 667958.8326 141228.1624 3644291.796 341788.3662 65610449.09 76484509.7 61311917.88 48297021.87 65207160.24 43821441.14 51008332.51 55493822.54 53358134.12 51366620.2 48736989.57 66644056.22 85752516.68 84050709.46 102809473 63490450.98 52018786.58 67653645.79 92728571.45 87069314.31 67334412.87 92840699.05 53228104.44 86147667.38 84681931.45 75042060.47 69388335.94 68425665.42 69384461.41 47178768.6 PE(18:3(9Z,12Z,15Z)/P-18:1(9Z)) 14395861.58 17861411.06 67342649.14 12537331.66 20898638.47 15397998.22 19375869.15 48143893 36721453.43 14376667.76 95602617.19 59769353.83 11456415.4 29553346.27 31037318.11 30487437.21 45685800.49 34682625.7 31506496.61 25702990.51 13171789.03 26871073.71 32816420.7 102910848.4 34519968.59 20341035.17 42480603.97 34899889.76 49420218.11 39856184.72 30347777.34 12868760.34 28516470.94 11777035.38 20671285.28 5292790.99 10189611.06 22679658.43 10506027.33 36327596.95 37572732.68 1826285.463 37998390.55 48474510.73 30888931.04 23490065.43 14573294.63 22432709.17 26050984.82 28416671.94 28468961.85 25418179.56 25971135.3 23762667.16 19770727.72 21738704.47 25028427.32 26995869.08 26356827.91 26375392.24 Pehanorm 4354822.504 4608858.284 3195413.01 38037612.47 4825550.313 3895825.262 6553872.502 33998540.55 25073296.63 4952622.254 30088478.16 4442602.584 3957100.415 3920299.226 26517705.84 7253343.835 3594004.276 3078257.034 2736494.324 3930353.595 4593359.272 3314595.167 3754533.171 4065283.78 3707073.175 4408476.683 4896639.692 5255718.753 3478183.432 3048235.509 6001445.104 5699668.237 4446221.637 5139161.802 3596579.732 5516922.646 7675024.939 3730359.146 7373009.886 49615.10607 5230192.06 5768092.206 5738438.455 5529370.781 5393699.988 3553643.698 5929881.026 4077523.1 12320267.4 5592328.315 4694262.452 4543980.761 7378897.84 4244875.623 4245374.184 4725791.126 7976272.272 5636579.353 4601052.587 4688889.851 Peimine 0 161183.9112 0 37144.3193 0 0 0 0 0 0 0 0 0 411615.1497 0 0 0 81808.32368 0 382387.4226 2679823.445 4475834.003 3823226.711 1596567.383 2746545.541 13352214.87 18158921.56 17354259.24 4022266.951 12656093.36 67108.7183 313212.9903 521713.326 1052072.275 345683.6033 674649.9372 1674038.014 532613.2216 413231.3461 404708.8387 200152.7442 2056334.221 119634.6828 347209.2867 158437.6189 636050.419 520497.9948 300894.2279 43295.42001 95186.42109 172552.2944 136832.2464 241255.4875 51351.74039 26465.73198 47784.43698 101154.8091 86164.08404 133504.6491 55389.80069 Pentaethylene glycol 37834214.52 16230439.72 14697851.43 13501213.41 9558577.029 73125225.56 99310647.69 34976179.73 48153235.91 7513342.19 42180305.48 88268996.39 31253728.25 8803848.179 43467606.71 13837277.3 32494475.53 29174978.32 28494439.77 6702948.212 28181479.08 25877845.39 8387825.091 11629379.88 10524489.07 29654865.57 20574225.38 15987673.99 126984695.9 24300745.65 5681345.924 33375034.69 11519279.94 9895566.375 12194533.84 21707494.87 8151732.944 11066062.1 10515090.15 20297523.36 8695767.077 38086794.5 5403541.101 12231270.74 10529886.69 13771647.09 9797877.82 11546391.88 30181794.19 31637955.74 43691793.49 7762549.639 34747022.38 7927440.949 16641320.13 15560220.27 7094548.239 18661302.08 7842757.964 29377104.02 Persicachrome 12502247.68 7723905.406 9561050.778 8323834.601 8755209.213 8278512.467 9367422.442 9650673.68 10627327.58 3587881.431 9603537.951 9339411.869 6491197.227 168134.7746 6342523.021 7371183.753 1160147.753 8278840.293 8856864.656 4967555.138 4661752.555 5650905.315 4950867.337 5214544.312 8365187.895 5371293.765 6482713.353 5170412.792 6127877.808 5661161.761 349465.4163 1607251.733 881734.7135 1026022.262 243194.4562 1262088.202 918164.3569 685104.8056 279326.0636 620030.2 319309.2655 2668698.688 0 0 0 250466.6207 361207.1545 660824.6089 165249.74 0 0 320660.0743 125637.5911 272466.4669 658643.8317 124964.8565 0 0 0 0 Phenylalanine 225570816 35172977.33 240858296 54121329.1 243917278.7 136305539.7 186819636.8 196161731.1 348680402.4 19140959.5 206088880 274791106.2 101134722.6 275072235.9 149788429.8 135381762.6 278830657.8 328074598.4 233245366.8 33843998.64 23176652.73 68693488.08 28567171.35 37206410.64 47788566.05 136705463.5 149047378.4 106164949.1 114553593.2 100823329 200490760.1 221138028.9 125031912.6 127132015.7 175300719.7 133553621.6 134640486.2 222659741.6 126897298.2 97174035.24 115701762.2 214202515.9 135486729.8 146491708.1 127061268.8 104642903.1 165868806.1 135786395.2 77262167.12 113869977.4 79976009.22 130630808.4 89506362.53 70140171.28 153811467.2 154793016.9 150709632.7 228845177.6 163367017.1 92342107.16 Phenylethylmalonamide 10081161.06 447835.1242 4413860.027 515296.3456 938269.612 1328210.556 3007117.397 10532780.93 1058062.328 144789.4071 5352047.527 6066763.159 686152.0479 592347.1049 4455609.289 11456021.18 4331786.362 1739609.815 3052903.716 398847.6649 466558.8251 611563.1241 551102.6576 739582.5126 1241898.913 1118452.443 875418.8235 1243588.345 1737745.855 1597797.972 10744389.32 11398959.02 5239832.094 3979602.218 11320323.52 4390585.726 5033935.707 4403592.633 4751711.21 4628992.303 5023554.294 6480398.181 13449738.83 11087090.69 13936865.5 10506692.39 9827311.808 9416668.884 16301670.95 14028887.35 19949427.52 19357564.22 14836576.3 21733693.06 17671684.78 16356057.8 14147193.14 10111660.63 12719468.08 12782096.7 Phe-Pro 2052054.194 658504.8075 3303309.692 722132.8717 1938283.329 701601.3975 1656543.959 2321225.979 2401666.611 772714.3999 1830765.228 2956689.369 1611515.706 1984039.527 3402501.756 2341377.681 1313326.063 1138697.704 7377215.21 2737307.787 2918414.235 3058286.646 1250145.575 2949024.563 2566091.359 3047163.705 3054263.278 1501075.204 3135876.211 2659214.665 538990.6006 584090.2502 542172.7398 861262.7089 630567.4494 1988404.02 1046257.932 1012927.404 358694.2214 964742.7294 1155459.273 1515365.144 377871.1946 438590.8123 659683.5474 481176.6064 682590.8025 556307.9715 237174.4242 187976.3067 223630.997 174138.422 493197.3811 240895.0025 259145.3879 289186.5537 326521.1835 332015.5096 341834.6491 184508.6571 Phosphate 421082012.5 208562958.9 332701287 199274493.4 312950294.8 307131543.8 348670953.9 307695356.5 336772153.1 147793993.9 317852754.8 343742073.1 260150170.5 325151878.8 367865004.1 312464368.9 300004066 370163729.9 316458086.7 321595578.1 164058638.9 310912156.6 151294227.8 161544473.4 296112644.1 290306019.4 362306115.6 284044483.5 338023698.5 326443967.6 494449.2034 567817.5468 730657.7557 209654.7226 372860.9754 200637.5154 462377.6677 421818.6958 733852.3305 453885.9483 774329.5755 738412.0642 883752.1505 420235.9067 88506.54282 390959.7834 730031.1318 198297.0346 702185.2102 536576.241 719596.1463 762779.46 206516.4887 198032.9299 694619.2991 746818.0848 714811.2217 701983.7692 682295.3245 666635.5478 Phosphonic acid, P-[[4-[(1-oxotetradecyl)amino]phenyl]methyl]- 1467437.09 324519.7042 959544.489 916905.8315 1266241.271 1288508.259 1702510.394 982498.4997 22400.65141 242618.7146 1425128.703 2065494.722 1423452.314 3311703.447 1773043.981 2482361.423 2884497.172 3248069.503 867264.3757 471156.6119 1120678.049 459200.6317 358520.2573 721921.1234 20572.44044 2871327.696 1291766.994 2167747.221 1474409.72 2348041.249 20658.61181 18731.16527 17735.53406 44564.32866 54766.41632 28694.03654 16599.80222 50371.23046 19779.74734 38859.69248 43512.93746 39175.43872 46063.5313 40108.74705 38136.23917 40266.53728 18414.5357 41017.49865 30148.32157 32962.6954 32287.94376 49106.83765 20494.59372 30380.00058 26306.79038 41298.96262 28485.58171 26530.20079 31126.06228 46967.90655 Phosphorylcholine 6321725994 1340200017 5426904052 1765703621 3677617592 3376771644 5508304214 5439234363 6019458276 1143507179 5393455505 4443566615 4923228124 7590241947 4508662106 3431309951 5431548489 5702158092 8423225143 2504325681 1961169334 2898887637 2320672956 2762605780 3362492223 6171767397 6905263141 4917643908 7340655560 4750407934 1421506.307 1299768.549 1706051.421 1290630.887 1426469.944 1387467.973 1652520.16 1003694.737 1792965.032 1295421.398 2223243.031 962193.3624 3230194.644 3192178.994 3082095.21 2305317.678 2039563.59 1719660.21 1562098.952 2849362.917 2907786.993 2914777.479 2687404.458 1495925.258 1558100.711 2102260.018 2802231.498 2630924.234 2774431.312 2338663.985 Piericidin C1 7740748.062 3473504.191 12677824.89 2213981.642 11781181.4 12449407.65 5537498.1 18491480.43 12978183.8 4948714.118 9842396.021 13673790.41 5185370.357 4078540.276 27378657.36 13405632.55 11744522.18 6911180.252 19464983.94 6223482.038 15076547.2 14661070.34 4225528.453 7732977.225 19812562.6 22997106.14 47053687 11705220.01 38148816.37 28805228.32 31811558.43 62040861.14 82747665.62 70800120.63 20613681.12 23760154.61 57766240.73 45427645.49 59535058.44 42761459.73 74184534.64 43292336.83 18554783.42 41534418.99 32339842.55 64418662.87 59061068.61 42827057.28 24105498.84 55583042.27 15868053.46 21050727.49 41876186.91 70247330.94 148989205.7 37886746.54 33243645.37 103895253.2 21560201.99 93924646.66 Pipecolic acid 6573935.305 5904831.322 53350828.66 2273263.925 6117910.503 3842689.131 3614076.516 14023435.62 15362277.44 5876197.078 10050374.13 6171646.508 14026551.36 49543501.33 10575724.37 4492323.229 11306884.08 10710148.21 22077258.89 3571625.07 12403298.91 3999348.077 3311531.498 10081515.99 8607766.117 9229863.704 28652549 9592444.514 13489876.59 6487055.184 3133689.052 6914214.651 10134697.95 6054438.42 6022751.786 2224457.348 3010400.955 2598048.696 3290181.146 3435878.987 4181603.008 2011012.411 4096965.208 9175434.464 2969029.834 2396108.925 4583900.407 3917867.833 3888771.031 3467701.248 3224059.974 4318633.142 2627121.981 8851535.663 3669149.411 9340570.924 9640159.232 3819912.402 6904038.346 8347715.531 Piperazine-2-carboxylic acid 1969756.834 1289846.956 2141527.865 1601326.697 3804234.867 10202157.6 1399551.77 1741204.583 1086254.561 1059506.383 872103.6483 1232248.196 2129166.395 1493871.111 2146264.949 3003876.94 1282748.436 1349069.836 2580487.669 1544836.071 2066917.157 1976628.672 1488658.595 1783822.83 1847345.6 2108739.305 878101.511 352434.6246 1468191.962 1755673.957 13991622.64 7588864.506 2237582.799 3229463.728 13641634.98 542804.0557 911378.4215 2877665.367 596609.6897 2620880.21 6256341.849 1966962.065 20428369.4 20533400.63 6751501.819 2494441.776 6638889.311 11827395.98 5506692.391 21779627.43 18792934.68 22040398.37 13429530.92 5951693.297 19242242.13 18626557.47 17841224 24869572.78 17049490.11 11979036.67 PODOFILOX 0 0 38268.54914 0 0 0 276790.1225 750774.6196 1041435.064 0 0 70036.95546 4014458.276 41451.36937 785943.4189 9669.145211 374342.7169 0 3965284.182 0 85289.64593 0 0 11077.26667 1063155.432 1782022.807 0 73398.5518 40530.40291 0 391245.0617 375372.0054 125150.9291 146397.7715 268796.1783 226725.7788 159061.8148 467298.505 131706.5531 203190.7963 337307.0472 125542.5851 339433.7906 220267.1604 219255.5734 165615.9379 276365.8605 159517.2469 213570.7675 416195.9486 291725.2771 271926.6638 247429.1036 241298.875 183675.1749 190910.8303 227377.1542 168455.8992 172248.712 145574.2211 Polyoxyethylene_(600)_mono-_ricinoleate 538039.9291 484479.4102 1006532.947 1358643.214 2302752.954 2459574.499 473563.6665 2182804.453 959392.5548 464513.6414 509243.8676 1859284.927 768031.2526 1459556.538 1917817.308 516296.7461 1171349.798 983300.3132 905783.7157 359068.3776 214287.3617 162008.4527 530708.3447 301330.7215 1012489.547 0 0 0 1527320.34 0 607878.1986 1137509.034 814937.9292 547102.8387 2139415.931 853178.9164 0 1025580.213 755999.9225 629440.5043 235273.8942 654910.8541 316288.3441 252245.9299 785943.3844 857095.1636 631590.7071 1790033.673 517959.3054 392069.3842 825170.2772 572033.9564 376926.1896 1016830.123 847614.35 822547.7193 707066.0112 719847.379 220901.9357 690161.4488 Pro-Leu 74925538.65 11986985.82 85676743.46 13697331.96 48215641.91 37995200.34 50704494.87 51091080.99 68261696.02 9556747.946 44808387.36 51264180.53 27310316.8 57031831.55 38583089.41 33523597.44 55704581.97 42046693.71 67614795.43 14098638.31 13071487.75 26729648.12 15746106.17 14471679.25 48726069.06 39024316.97 35813104.13 33137367.71 57435147.75 30216108.16 85573286 58846600.4 37228575.96 41140268.7 48604029.97 56392937 46682363.47 66823035.92 38137980.24 48169967.57 38854507.03 39913525.94 23953246.27 22760275.98 17234376.35 34751328.96 70326604.28 37221330.01 23589120.26 20663612.68 26325446.32 27268699.93 29847788.61 23500245.87 35009270.43 35193024.77 52870487.14 21154869.84 39891733.82 32035684.58 Proline 467712554.4 258924293.7 651601781.1 316202081.6 551844548.5 535499746.8 507341777.1 673091316.8 743643679.1 204408755.4 469427735.3 535901595.6 408455540.2 725367599.5 542629377.6 466068339.1 657580366.8 666672234.2 632659277.4 177738873.2 186187542.4 366542241.9 197059333.8 199779077.5 316518921 640556125.6 585591347.9 523304648.3 485785928.3 488052211.6 90576722.87 87442697.01 48697713.16 55472545.3 87070898.41 43931213.14 45240631.03 54130441.16 49359387.52 52345572.62 69136482.17 51287064.46 142492259.6 142472678.9 167642936.7 74451040.15 79524369.95 63503747.31 67688408.31 151990877 89000978.27 90763195.6 74959508.53 71070033.64 90004793.54 76574093.2 78858596.95 143061123.5 107833658.9 65023197.08 Prolylhydroxyproline 13672447.9 2243026.18 32530211.38 3574337.116 16199636.6 18006289.73 12022304.11 36900567.61 17863516.02 1661281.365 8990018.567 15718056.98 10456566.31 6040252.104 15373047.4 15186175.75 12540674.85 3855480.274 12469148.67 1037198.474 1095264.872 3368036.912 3300764.176 1876483.811 2189575.371 16325176.79 8152545.207 10082992.99 9955054.845 8259669.062 15223046.48 15870067.25 11194217.74 22771582.28 16709440.85 22962265.39 10934250.53 33417346.64 11423469.92 15538931.28 28069056.57 26532045.02 10823477.29 12778703.56 9485474.425 13403861.09 29573160.42 15077122.17 7423934.001 12194706.06 10033685.56 12624128.34 6961781.839 6291388.639 7959823.853 8615985.029 7442890.432 8415725.053 7329681.457 6303647.512 Prolyl-Tyrosine 8008929.416 616946.4594 8222929.853 793523.9012 4710700.485 3251500.342 3994238.002 5236673.461 9191021.239 1122409.722 6150780.238 3211469.38 3097086.212 4545137.727 9446572.778 1372044.688 5396288.979 1505601.579 12859142.86 2239878.934 2767203.483 2686265.922 2879320.148 2348026.632 4530019.351 5350603.311 8026827.365 9843333.486 10522244.64 14595809.5 2999437.587 2740999.167 847493.1954 346209.8472 2948492.24 658160.2293 1193488.99 236807.7765 503982.0488 681589.8753 2731098.619 516824.7826 6515105.381 8131364.858 7245560.429 1420996.075 1504688.204 1989749.956 1369243.964 3313988.676 1457435.96 3327715.69 1883957.984 2416112.649 3350067.575 5186108.495 4299397.628 5000973.639 3760170.167 2002671.546 Propanoic acid, 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methyl- 1944227.929 675279.4777 684492.3234 772385.112 849783.5901 1011625.698 1350004.447 3302637.844 1370683.639 443410.5562 863327.8513 1469062.357 963624.86 3567434.079 1187915.279 503892.0823 843255.396 949314.9407 5757518.517 3857338.014 8313420.387 12399634.74 7327290.511 5728143.234 8854997.304 21894139.26 16541507.34 18431187.37 8449652.212 24838132.98 6825394.078 8576828.516 7198129.622 5663594.502 7793479.677 7135498.508 1129733.607 2170916.365 4437625.849 3343651.453 2350573.072 17443812.6 3041579.528 5654480.325 10011729.17 2286348.505 5832377.347 5787153.585 7473403.808 1248677.186 5977543.86 1148263.853 9980090.207 8712472.672 12433502.57 6327017.812 7697588.864 5059538.027 5543414.062 3949226.583 Propionylcarnitine (Car(3:0)) 609334286 401569330.8 2376183774 270293364.8 668848017.1 302512622.1 1922468108 2538841635 2150501279 282964882.1 746410385.8 1506946818 1201090268 1034635029 380260396.4 1281409780 708208255.8 961899672.4 1934528524 830099453 1558296374 1854994206 651870398.3 1089775411 2284228665 2647884783 1117629029 791450038.8 2589178935 1551937919 130276864.7 132778314.6 64427718.03 59773776.09 114406720.2 85970260.89 87514366.66 47853547.95 70291045.19 88745500.07 87108099.77 49294337.81 245949745 175664134.6 224643424 86408220.15 130460506.3 120222931.8 78799546.08 175456008.3 106425276.8 143917487.3 100675839.2 83363216.01 147085757.1 109875023.9 91584426.03 186537855.3 113481275.3 100258838 Pro-Pro 87542418.77 12394594.02 123641478.4 27225613.98 93002655 63849776.97 63704202.3 82593238.21 116090891.5 10944282.33 75285521.89 92009294.56 58247593.65 105915362.9 225285409.9 48118527.65 105256273.8 96361208.36 115326585.7 11479322.14 10081866.56 67256525.75 22537775.65 27523506.33 33182972.14 97690368.87 84969705.29 55766605.71 63540380.33 63832795.69 4398063.578 5241772.152 4479161.543 5877375.144 3791415.81 6775209.028 2507707.45 4087274.84 2252747.219 2284508.662 10818900.81 4425982.41 5916610.932 10114997.34 7487757.039 4214957.709 7873856.454 6321641.232 1548223.499 3182846.496 1367188.041 1790741.902 1683137.424 1439295.386 1459439.792 1698686.336 1559821.085 3007511.819 1685611.324 1217017.135 Pro-Thr 10655159.23 6442445.774 20852239.61 5400771.4 12895335.76 5339567.285 11289836.8 12282407.4 9755220.267 6275891.912 10699222.18 18166067.27 7703914.967 6087652.967 13127479.07 16551918.13 8340934.704 7515982.314 18545637.86 7130380.324 7075245.171 17559160.59 8371738.566 10658690.34 6893210.59 8519138.433 3027266.854 2300129.148 6670010.522 5233944.929 1913515.794 1231071.611 686915.4567 626233.8583 1055895.258 612857.1866 1167471.047 1905063.28 689199.2707 864690.6429 943528.7997 766301.2687 840327.9384 1602902.091 1097781.325 691111.28 913494.783 724354.083 831504.2934 478801.3456 320197.2278 533916.7687 506039.7064 535111.7573 504221.5153 550441.4847 476659.1011 584883.3708 378644.3332 358021.1383 Pyridine, 2,2',2'',2'''-[ethylenebis(nitrilodimethylene)]tetra- 122563.0802 17896.55776 905111.7895 19814.95327 617952.7431 139082.4794 89449.17441 706476.4723 288770.4143 0 24094.19145 391250.5471 107472.9172 113261.0946 183327.1853 187203.81 38819.11805 0 1852145.388 60991.12569 32407.81827 230475.7229 18251.50163 391789.3893 488147.5411 677665.1351 709893.9447 209723.5643 609295.9918 193834.8747 115854.5309 721033.2298 38958.29872 74270.6178 167098.1711 26515.61484 65171.37802 189941.6027 113150.118 75658.34187 141120.1909 26113.21664 150565.4398 104726.917 64338.45189 131755.3754 302195.3998 79558.85381 206582.2616 199040.007 212385.0493 158645.7289 170253.8271 164968.2487 152139.1494 121244.1128 114064.8955 152343.3233 123501.0687 59883.19594 Pyridoxal (Vitamin B6) 12212714.35 4357466.309 11680343.3 4665412.511 12084682 9842584.597 12889297.74 9223489.886 15978164.15 1727164.197 12983400.74 10865083.06 8494860.672 16259745.85 13256630.14 13265841.97 18050694.62 18150657.05 15777840.32 2643513.259 3185438.994 3633200.867 2003840.411 3002642.471 3968381.069 7278686.897 8527880.255 6882923.184 5915433.23 6331552.444 1784253.9 1345141.039 1781840.158 1329622.948 2107834.727 996186.7217 636152.8836 1172824.303 1955333.328 2347203.578 2686507.355 790360.7105 3987900.094 3452721.513 1490858.864 2316620.617 1922297.662 1630061.07 3685426.373 5352877.659 2628229.198 3430561.23 2495158.769 3734436.121 2116532.662 3305346.373 2034607.26 4729174.507 2525912.162 2665079.849 Pyrrolidine 112368492 36862297.21 124128401.3 44278914.35 134238762.9 90552753.27 92047814.01 105906405.7 151106141.9 28553620.4 99584943.3 128438793.8 68437334.97 129134812 87393452.98 90582722.27 129499552.2 135764165.9 109811790.4 31567261.4 25558612.49 55916348.51 28001453.9 58024679.67 41282255.12 76864890.7 86966495.03 68463821.24 71634322.9 55209892.8 4440226.176 4418894.596 3176317.532 3189513.455 3937856.472 2728774.694 3103377.036 3429566.339 3360978.165 3224402.519 4499943.013 3467252.905 6320767.85 7411626.023 6233310.57 3205971.097 4563167.292 3296540.752 8598267.137 4419157.868 5452732.853 7010563.228 6742426.667 6352954.322 4404915.009 5846459.58 4569636.404 7510162.478 6408014.59 4698745.278 Quinidine 5576180.799 18913173.33 6139580.772 14783353.18 3088664.296 11950112.06 10416605.43 10367684.42 10921471.82 4777131.95 12430884.6 11367087.25 7468423.267 6744840.589 6841965.566 3677875.467 12085397.92 17059104.14 21910485.98 8819920.173 10618899.79 4854347.144 10755415.14 7839735.588 8175457.157 10304235.1 10494549.9 14322714.6 15082264.3 12348832.69 2005884.935 3200202.536 1129850.139 3925981.983 3567492.402 4793749.935 2327910.742 2393266.839 3321185.147 4417092.735 4674373.441 4888368.763 1615312.8 4639319.306 3158894.186 3445444.127 5428029.48 6604514.547 3194317.26 3032819.263 4246052.966 3634325.127 5094562.432 1645272.321 3206924.254 3929361.425 3299517.586 2256555.46 5235705.821 11131161.9 Reserpine 129785.261 0 169810.6886 47488.70171 149805.4724 123245.5038 92541.83977 181636.2152 180883.6581 0 87687.16219 188101.7274 209083.1166 463333.9859 364981.0984 60524.94167 124493.2867 202793.5768 451560.7274 42052.5299 75951.6335 73423.84996 7931.01949 41732.26506 360144.9106 102067.3782 150875.5719 75550.38864 575085.0461 192594.7747 74156.80743 110505.274 214881.0436 119820.6947 63053.11927 201438.7991 317120.5817 1826844.595 73029.04102 153003.0345 425970.312 44071.2789 93424.23995 116496.4756 161580.5211 74264.00882 130506.5957 424538.6146 13767.65361 24054.15092 19660.63851 64744.70782 40494.41326 31116.12575 9008.997808 12478.6215 21548.19282 39686.88195 22250.50945 24157.25154 Riboflavin 3239730.2 1309381.323 3581698.682 2197657.324 5008112 6137623.846 3753798.851 2420648.676 5316004.893 744896.0593 4637082.921 4377409.607 2513343.809 4222528.56 5616216.359 2982613.986 5230195.211 6871474.09 3350310.535 1004497.377 1317311.443 912920.282 940878.0589 1238899.403 1736841.143 1081595.626 1750313.802 1489116.786 2938990.638 2550507.178 2103337.217 2339269.461 1359875.348 1209910.397 2215082.509 1318097.374 1312078.096 1961042.458 1072481.239 873600.9333 1261358.876 2153564.751 1537670.126 2300516.464 1659797.463 972247.964 1386135.812 758400.9604 1373932.994 1744273.257 1190233.294 1394045.309 1288278.23 1335013.148 1101253.104 1592303.687 1478580.581 1800620.611 1251453.125 1372092.792 Ricinine 14014480.71 28540060.77 16138474.72 32666680.29 8653717.677 4283054.524 26765673.61 7649116.05 27483829.82 18839959.81 23441807.38 26750130.93 15447861.4 21805775.74 13037513.28 67418065.53 10309066.09 20188077.92 15206535.32 22179705.7 88157192.7 75428773.74 101415499.7 68076282.13 45542679.49 14423717.03 16687817.14 14035124.69 3582496.94 20228299.83 1846919.41 3617130.222 1858081.549 1988125.672 2912505.377 5452389.598 1736244.965 3602077.556 2770263.663 1689808.31 3892277.723 2746243.476 3361840.692 3776725.049 3440368.261 2677465.091 2897657.03 2652443.209 2961123.599 2944304.629 3466357.084 17452909.25 3768405.763 14183391.74 3622090.414 3645566.714 3520782.082 3977198.062 3322728.038 3115075.705 Ricinoleic acid methyl ester 507702.4424 321738.5107 686688.7894 760786.3159 1608104.219 1701807 582473.2087 1708126.612 629009.2598 233711.7863 381287.376 1615166.285 1283577.694 1748601.476 1478570.59 465032.1902 830377.454 665247.705 1432299.58 404880.368 268228.2888 220066.8988 200105.4285 240932.7074 1090052.193 0 159654.7614 0 1379848.729 0 3230431.595 3384022.246 2761977.973 2118370.05 2974707.946 2278973.283 2511323.604 1832493.348 2638269.018 1732998.444 2188197.354 2947273.128 4225130.231 3405410.794 6456081.608 2505127.52 2901278.328 2046372.81 2675370.381 2099574.887 2165059.213 4733795.375 1586540.011 3885257.779 3506039.012 3350061.602 3826463.571 2003057.702 3635435.116 1862243.842 S-Adenosylmethionine 6018846.856 1489833.77 6024710.7 2554388.572 2325906.865 3142797.542 3263919.511 3782696.337 4982041.747 1988760.916 4309961.882 3404315.821 4753999.705 3746860.01 3340951.918 2062868.972 4350279.473 3240654.131 4148608.687 1588084.3 648575.1726 2534593.476 2101374.85 1304212.551 1762724.37 7125682.862 5203458.922 5161569.547 5430944.18 1892920.097 1053686.124 460863.2877 722389.7844 683627.5477 814345.7209 722237.5699 554820.7324 869195.6209 607248.9215 996230.389 348094.8792 596689.1657 589874.3502 163275.95 466238.1431 654395.5221 627204.0003 621063.6417 828654.3254 1009002.756 745964.4658 1013212.304 379382.9854 1047462.294 713049.9811 114217.701 426605.3791 510439.4995 461008.3069 627540.1065 Sarcosine 62056807 51884151.55 79034740.59 56149465.24 115096836.5 98626453.62 75353066.14 70242558.48 144426969 53838237.44 90494374.81 107754031.9 126735829.2 151267952 142100260.1 70764663.37 106333764.6 118838558.4 144549652.2 84812785.86 90260674.02 109438838.3 61304208.33 63371873.03 66613919.1 192036783.3 131543709.8 129210035.5 166392181.3 56930492.53 2544962.463 2274723.813 5806606.843 4062965.138 2085649.358 1693240.23 3994870.711 6265464.068 3465890.101 5382268.754 4646111.677 2724089.232 2313563.485 2386711.993 2483724.936 1860181.086 1744387.49 5214645.074 2498665.316 2097080.458 2458786.154 2598939.289 1717126.328 2014130.051 2219846.709 2376502.266 2189755.023 2620490.336 2108097.082 2034793.116 Serine 17643408.8 5498561.274 20337777.97 9089241.849 17499006.3 7340020.2 13858606.52 12747476.4 31103381.04 1573959.218 16756918.9 19146048.86 9084131.298 26703986.94 13750595.02 8800395.671 24019366.88 30302251.58 23808784.15 7273297.442 1670289.851 4280317.287 2402562.512 1996201.98 3948694.203 17409757.12 15569771.75 10240426 15887243.8 9932873.713 9903315.854 6107398.736 4995340.493 3452985.51 8742167.223 3651542.215 8881502.219 7016559.004 4032322.118 5190814.444 7488521.596 3360514.596 8611784.023 8210848.745 8033325.245 5298710.572 7688215.518 4675438.76 6033647.427 9836662.479 6207265.111 7497146.211 5827702.753 5793658.546 6715746.613 6552928.534 6242292.611 8709694.327 7776617.56 5550776.89 Serine-Cholic Acid 337671.5759 237360.2567 1711301.916 1480230.878 1831105.966 1563017.012 980438.7672 897796.345 448205.2821 188985.7626 256134.1119 16311233.94 1445102.46 5462498.94 5824566.523 559313.248 468633.3577 15896757.71 3177712.096 276830.9799 303051.1972 798433.6774 631274.7421 311250.5519 949165.0264 3552230.107 1831091.212 1545770.679 3278811.559 1190347.478 622363.4701 924801.3781 1198503.084 1098599.021 276422.8716 331460.0226 762184.8449 524603.6949 1016331.63 638921.6817 972457.1016 458095.5224 34025.0221 443661.4145 361876.9786 929196.1866 1301183.602 406567.7492 425969.1673 837463.1044 166465.6504 244341.3222 589223.8357 901336.8866 2763119.463 345530.1349 382096.4602 1812326.488 253661.7878 1639863.657 Serotonin 61698410.38 4483137.879 31787824 4676927.766 2363484.151 2757082.099 10733329.73 58191841.83 6885995.821 544191.0559 18098463.51 20035104.67 3512049.287 710905.2303 10301244.47 30576284.05 20677336.57 10559228.4 15887369.25 1567157.681 1187820.679 2358092.136 994684.3087 3734107.32 4995547.804 9429387.003 6658584.267 9582487.138 13681465.3 3225331.419 4616325.152 4211046.485 1384260.756 762416.2916 4581565.8 794398.5921 601994.833 1699637.512 1107454.34 990923.9984 2019829.312 755130.329 10353617.72 7149544.349 9186047.31 4426575.078 4394986.875 4471490.31 6334475.583 8057332.683 9769149.857 9166170.551 7003230.105 9925698.032 7882911.524 7135727.13 5500987.167 5446441.647 5427798.071 5258887.324 S-Formylglutathione 5414655.824 5815981.654 12480670.52 4834836.969 6515552.3 7746724.625 9938187.776 16971183.66 17715372.14 8464225.929 9328977.595 5802586.93 14115320.76 20362229.69 21149243.36 7585316.683 8808966.616 12963716.4 17505722.61 22468595.83 41537923.51 35959394.17 30417668.94 26869954.26 21605206.72 75836341.84 34492957.11 30366989.27 25667681.73 28017807.4 6137478.994 6295941.607 6349636.054 6567222.8 6399811.073 6038549.272 6782900.53 5043152.799 7591752.857 6042781.12 7748461.786 5291480.776 8667254.475 8537218.103 8136097.516 7848104.437 7151052.646 6492947.259 7222854.722 8307918.405 9323873.217 9315115.071 8340037.452 7270509.247 6572071.64 7727990.049 8080115.944 7649249.101 7990568.707 9024154.547 SM(d16:1/24:1(15Z)) 35410892.85 2797294.992 32973659.57 2643387.002 32858969.88 35767076.94 29646946.91 32974467.29 34724587.57 3447165.571 65313202.66 33446449.08 11539135.08 30245097.73 23625725.62 22782260.21 25766352.05 22068303.8 19912298.56 4967026.185 6786379.302 24552300.78 10490251.82 41209506.48 19776161.15 24778133.91 65678007.59 26318006.37 53702621.11 25480825.81 19047536.79 25587194.77 20471755.15 29857138.67 17597513.43 18812642.93 26054846.39 22610219.64 21462882.51 31538268.03 23965433.7 7056777.959 18193954.74 20817616.7 28149494.04 18755387 28590528.56 34265848.36 16992240.42 23702668.84 13837695.45 21326339.33 11545790.05 25081266.79 27996272.75 17542482.23 24497514.67 15978862.74 25097668.88 13102464.77 SM(d17:1/24:1(15Z)) 6730405.466 706864.4983 6760327.993 478758.9322 8730532.403 9942642.491 5607414.974 6405711.078 6920586.585 871358.5401 18281247.05 7110043.284 2542431.048 7551907.324 7136179.134 4615486.431 5694579.684 4708664.989 4958860.562 1455114.468 1624116.66 5534781.413 2436410.528 13217875.83 3547442.716 3564954.631 16712455.94 3927624.796 11177384.58 4283439.903 72637155.52 59920709.36 50200614.03 47167171.64 65397904.65 44783831.75 34882393.34 19394087.73 58339285.17 87292117.91 67065570.92 15750034.62 80540832.13 60483109.16 76473717.88 63758623.91 65560903.83 66888210.41 124114357.6 87251611.77 68500056.04 67544193.86 102592321.2 102269785 128866363.3 126842895.3 125650559.5 104746625 92654279.26 75683425.27 SM(d18:0/16:0) 326417453.4 63152804.74 409342875.2 63202756.01 272288018.4 370445982.7 340637253.8 339886316.9 384383887.8 77857043.85 485216140.1 386983657.6 233989972.2 332005985.5 314432667.2 282020548.2 327694713.6 297715610.2 280684660.3 79617839.75 81463101.26 200398525.8 89806936.5 211815602.2 116292057.6 81654570.51 626762806.7 85098187.12 434623981.3 140713525 226669298 318062472.3 734495780.5 415514332.9 328813977.6 330607018.7 376457609.9 426587567.9 321539629.6 184687241.6 307641240.8 247675105 44951388.16 54930991.74 70652684.67 227834913.8 168205115.2 378443659.9 34511780.41 50779761.53 35593986.52 24711803.03 46423511.81 50083298.17 45352636.37 40205889.17 38867233.86 54388200.01 55905904.71 33092765.61 SM(d18:0/18:0) 31245829.54 2864848.088 30686689.11 2409788.652 27451646.06 33422667.43 33375987.92 23580828.06 24332420.9 4383322.834 86551840.38 29548168.32 8493634.291 13453995.13 24318980.56 22373371.06 24682629.83 19070091.81 21698917.59 4803553.321 4086529.561 14181527.75 8639089.519 23041767.74 5373509.509 3238385.144 58066313.44 3424491.231 54340238.6 9210106.483 37864208.51 33095238.93 48590164.89 38443123.61 37724302.73 44372420.78 35115897.44 41690585.31 35265765 22900359.35 32024343.83 38761371.41 4109331.164 5662687.457 5473139.705 31200186.42 26296276.69 35203751.76 5084074.714 6025600.895 5696854.461 3779552.208 8517456.564 7344992.778 6920125.695 5258183.206 6201534.677 6679326.973 7189656.365 8315461.281 SM(d18:1/17:0) 31494480.84 4891593.076 27960968.53 3919898.406 27489505.92 41766947.64 26820286.66 26947795.23 27770221.66 5345535.646 43539328.62 35353723.76 15603420.21 23139923.77 34627416.77 23823351.44 26758660.79 22459649.27 22655327.76 6141616.093 6647127.197 15293149.57 8068817.737 20296760.11 7685444.476 5573511.366 53204401.39 6414542.193 40924927.68 10779330.59 193063173.6 180987311.7 172840783 222536071.1 149834767.4 190377446.5 150288597.1 105386414.8 170042703.7 207457819.4 209101353.8 252763444.8 112803763 88060956.84 88600356.14 190996149.3 213153865.2 179681165.6 96780500.24 102709596.1 91508841.97 100724742.9 100886424.3 109605665.5 109134247.9 80981639.11 115261661.8 130505754.8 108112672.7 123397895.8 SM(d18:1/18:0) 280416248.2 28070165.67 268434142.6 24856077.62 241581606.2 299319462.7 254512376.7 204422439.5 220746661.1 37188081.73 399750510.2 263008632.9 80339759.51 131272998.6 218058992.9 180698709.6 225310339.9 177284070.2 191960630.1 44565327.26 39517637 122642377.8 73687755.11 200384383.2 52230485.88 33094281.37 514709133.9 36263559.64 433087089.9 96795938.35 104038704.1 187013502.2 237826096 188458425.7 111876381 202397567.7 167460638.4 290521064.1 198367060.9 112043037.6 167278855.4 202571898.7 25493019.25 37490803.26 41119877.61 113899912.9 129640784.5 180153028.8 31568728.95 30491613.52 21207707.07 17793472.67 59702006.18 43098434.08 48775697.18 38879967.04 34226530.2 41678851.69 46412421.15 34532209.31 SM(d18:1/20:0) 25125646.83 2862323.738 30213566.77 1717576.624 22287564.31 22386220.65 24897400.44 19216302.84 21908012.65 4521570.106 53285726.92 25843901.15 7659175.501 11908884.6 17050205.21 16054383.69 25906617.48 16994827.3 24787824.01 5145469.874 3547504.488 17060895.4 9669778.549 32548401.39 7006616.851 6796684.076 107506988.1 7285106.296 77156910.3 15190647.11 126307.949 179654.569 172058.9024 162906.9499 125664.4266 93329.61999 192942.9029 507829.5701 160688.0295 123663.1079 118537.6252 206537.5859 125870.9484 134061.6157 175783.1493 150158.6465 22108.21555 117426.8975 116275.7282 130295.5656 84700.76086 110534.1388 99680.11054 137940.0015 144677.5865 144140.9163 105611.2717 118745.4404 142761.1447 107140.5603 SM(d18:1/22:0) 10285155.63 1746427.488 13295470.4 975919.7782 11221953.54 12921328.62 10428822.34 7592055.791 8522664.456 1910121.537 30092711.61 10545713.27 3313171.749 6190215.648 7816832.086 6288549.855 8616069.366 7735408.389 11628798.76 2626324.703 2032792.53 10686741.12 4987525.841 20338404.36 4026891.549 4647624.633 63456373.66 5339151.127 31410427.85 7664610.85 15870266.64 17594638.18 26225556.23 17157434.14 14107231.77 15289291.52 12264833.88 10775602.77 13623465.99 10825007.99 16529179.06 6031876.454 9277272.379 9984395.251 12078697.54 13505318.05 15716755.13 21085429.24 7794824.604 8933483.44 6310952.119 4237006.583 11493552.02 10034359.54 8517557.98 9222527.715 6418915.612 7402238.847 7789890.387 5978958.56 SM(d34:1) 159412.5093 540391.3991 2421654.546 243672.5185 1852786.275 979822.3075 1078083.805 157843.8 330879.6825 232331.1851 12538618.95 1167956.119 153995.6217 196988.4232 434632.7834 1483558.957 671563.776 491225.2019 848817.3049 159277.6399 224460.1112 3007131.938 440280.6733 4529298.376 537654.6528 142045.3235 357482.5408 360005.8544 1205633.486 185930.2633 426179923.9 372461873.2 668065351.2 557963926.6 355159186.3 805606700.9 939608826.1 947662021.6 534846065.1 540294784.6 810659726.2 1273221112 184194337.7 274423017.2 236545713.4 546920233.5 628775132 411408640.6 185919211.1 141524093.8 280971095.2 129771860.6 172335765.7 202707217.9 182773246.2 275870634.1 165799310 301298711.7 382512755.7 108282100.4 sn-Glycerol 3-phosphate 2883597.768 1805712.651 6429717.094 1504784.875 7955953.261 7121680.773 4077172.558 11113492.33 2498823.588 1319997.578 2598335.343 5896449.849 2853304.32 4339770.71 3148497.395 4802841.937 1849009.604 3040476.434 10060944.66 2704962.557 9498162.75 33488791.2 7433304.008 10462288.05 14763033.29 72488100.06 34625061.72 44938277.56 21148909.83 59408310.87 2266135.307 1561049.064 1343611.805 1574391.162 1208584.528 1391593.445 1538685.637 3373175.303 1118463.887 1074053.623 1262292.491 1084634.366 2483450.313 2072620.91 2302717.69 1312279.089 1241955.4 1114005.062 800776.7015 1937048.176 644863.1914 798266.7564 1248348.252 636237.9824 669557.7984 659759.3978 836861.9621 1359151.029 966382.3571 735474.2437 Sorbose 3820284.845 2888812.851 10278495 2065144.36 17326054.85 5187820.099 4119260.669 29000806.52 6772539.31 3524108.145 3451585.653 11814293.01 2877058.746 14812372.27 15438137.21 3711724.659 18245863.72 14443941.21 6453797.584 2101781.153 3881554.237 2847037.317 2799636.573 4032405.154 2567597.799 10602043.21 5821574.063 5875112.899 8945861.928 8947038.906 114164966 112312848.1 24951605.82 13147926.12 112502583.2 68590738.06 31658725.94 1304332.069 78672915.53 192024580.9 102122749.9 25088634.63 159655699.5 127370610.2 136840618.4 135756340.6 120417422 90927951.22 267697719.4 141844390.6 267717115.4 271607770.4 190071259.6 238615638.4 234005942.1 403809181.1 227584712.4 125336108.2 192433053.8 237887855.8 Sph(d18:0) 8235259.378 1556812.853 4310331.229 2110949.938 6052055.52 9834506.831 3816699.309 4593561.642 3462490.381 535305.5761 4781198.762 4316107.466 1123728.54 1935646.556 7235832.099 2397595.264 3360643.466 2040439.076 3186518.119 207579.7823 728521.3912 1365921.192 1002000.122 910135.1891 1281577.655 6848959.917 5969353.222 3659128.587 3294851.059 5746035.883 689414.8992 565881.1798 490630.5976 418283.7722 406047.854 620702.3896 459066.2041 542082.126 453371.6352 640838.3355 426384.3116 495656.0784 839700.4149 622844.4482 1291851.981 505149.9226 337365.9087 562504.9655 209362.4052 435585.9075 368685.3773 409688.1931 429318.3156 586098.9052 304508.3811 295364.9675 340030.394 591668.7942 465311.109 345491.183 Sph(d18:2) 9620597.133 11770967.42 7420423.184 9731933.718 7142464.973 6744010.081 5830829.749 7065201.477 17626746.31 1782164.604 9043378.165 11932549.66 3094512.414 10859893.54 7745525.588 4579273.878 11789589.74 14823000.15 6409759.841 2149929.157 1836031.821 8506209.769 7696962.762 11451052.46 3922867.411 30247875.12 7739093.5 7507839.778 7346835.215 6064499.054 2712577.705 2424938.333 1744653.761 1765509.321 1753314.125 1730444.968 1294550.783 1749800.446 1384819.216 1281374.016 322858.9962 1069339.32 5057479.99 3397300.972 5340023.416 2049349.706 2068500.202 2154039.386 587839.8073 2933514.637 1999392.569 2524472.813 2472163.817 2167090.436 1820410.087 1366184.006 2347713.42 4580215.03 2573738.615 1999180.439 Sphingosine 115425711.6 25747692.8 77099184.67 32465740.01 86863293.61 96021781.23 67107613.65 71824184.84 68289287.83 10376386.9 83204935.84 77227498.77 23372185.55 71855022.76 92796185.87 44032675.81 98665633.4 60654711.76 48965302.21 12596621 9784303.11 29171274.83 19884425.25 17843577.21 18654560.57 55802638.45 45467809.99 41174107.47 55105224.81 49943568.73 40393799.51 30970862.96 23433343.89 21761412.69 26943248.07 20587278.05 15283475.53 24458366.71 20865650.72 19430431.2 17107716.05 16496257.37 73774711.89 49189514.52 84681012.56 25781828.15 27964444.4 33384836.12 9521449.025 36376728.79 24634289.13 25894942.22 26588412.87 39042116.08 23079599.71 17588202.91 27234882.92 57412710.92 35453673.64 24289805.92 Stachydrine 3365916.006 621797.4914 1056588.534 600855.7561 2394792.699 656314.725 911301.7939 742642.3202 2397990.681 2376939.861 393473.9451 3274093.029 6185818.944 6522884.298 6340577.562 894735.1583 946415.7042 5246453.03 5978806.344 3175481.456 5329977.503 5160015.179 3586197.887 2411633.445 4370062.501 5161148.249 4884442.22 3842331.103 5509844.886 4202947.299 9615911.431 8614530.673 3817665.076 1905929.714 10682839.65 910081.3459 6696250.382 2295861.191 1459056.589 9477923.816 12410498.79 733281.0924 14545531.69 12993603.08 12808975.53 5240470.985 4751791.56 3575273.093 15939288.96 15873241.52 18482616.44 15967798.01 12039673.89 17577999.42 20039239.58 17078234.22 15960444.25 17727197.16 17992697.01 19203616.36 Statine 198864454.7 37042050.74 189238237.9 48622521.29 136202665 168168615.3 163424350.2 210464999 221339101.8 32786998.12 170520971.2 196835341.3 172310049.2 170755957.1 153248240.8 139406814.7 154590044.7 207530097.5 266494305.6 61903759.32 75533738.34 93878437.6 59554770.12 52260605.49 122613932.5 220799021 226810696.7 167929661.1 257065590.8 155056109.1 3159999.506 3289703.278 4131496.239 4072476.639 3199120.65 5818250.218 3907527.316 2795737.086 3679384.397 5018215.698 3188649.713 4216227.079 3658560.097 3511406.963 4021407.683 4989885.434 4334313.817 4244322.791 2733480.725 3458556.959 7520169.83 4488593.221 3433943.951 2637005.18 4115650.404 3479164.385 3352497.332 3572616.715 3804842.173 3989487.408 Succinamide 70849960.45 46989076.73 81216945.28 49924144.25 75645128.8 84009549.52 99685715.24 73072508.9 90458295.47 59236189.33 92424969.99 63585513.2 118349086.1 90464714.91 101264702.4 91497862.04 86460956.86 100640856.9 70809590.2 94386163.55 84187210.61 80904761.38 67057676.41 78622364.37 71415499.06 63040111.77 53364440.78 64111863.88 76548826.4 59848333.56 6505892.553 7450568.923 5822392.231 5081941.104 6138931.701 4504123.575 4862775.487 8474451.394 3892866.226 4941085.085 8401314.802 4257030.249 8967424.905 12609144.8 9571715.081 5151948.28 6604978.743 6879155.621 3836252.83 8131602.367 4797022.881 4644975.977 6089390.238 4233946.797 4131694.093 4584932.115 6428730.181 6721818.431 5297522.32 4578906.245 Tandutinib 510160.0157 135774.4374 374335.5937 270912.7243 48661994.22 2240602.475 4392439.925 2471651.758 93101.27478 0 521686.8041 1111280.811 64436.50642 40191.84779 78401.95283 1638971.194 699571.8376 1143716.139 125889.0922 0 42432.89603 7392.615215 0 0 52270.29356 38158.33273 24673.49432 33722.69065 71883.31337 0 4886328.122 5207694.394 3139814.431 4645703.909 2951521.342 3620023.396 3028512.449 4223193.605 1258792.793 1662383.901 1385891.246 4384239.374 2157153.029 948526.4461 1264727.899 1481632.219 2212538.485 826527.104 901999.6536 2316682.241 1350292.434 1441262.399 847150.7462 833003.6416 800219.1944 1859961.004 949294.3674 1049493.453 1349117.453 1015181.805 Tanshinone I 53950.64897 188174.1934 0 94665.90349 23285.84099 0 483378.1651 971270.7014 1120303.74 361287.3666 435173.8039 368060.2059 431437.961 1184349.239 1046340.676 154551.2308 756890.3217 187060.1849 549826.6065 1279210.815 2660681.389 1978524.061 1551515.115 1973920.757 1300991.133 1407516.984 2068289.469 3253938.1 845287.7225 978199.5773 6292887.882 2430601.892 330074.5179 214321.5011 5223603.921 174479.9124 1724533.933 201532.91 416992.1709 1040176.918 10922301.14 180593.3693 19481528.68 14857636.74 16483911.38 4208721.877 3593630.103 5274946.854 1653294.066 8749419.81 803291.4487 3519722.562 4163663.38 3902866.041 7816323.134 5346172.596 4137244.913 7969115.307 4692792.001 5295086.036 taspine 326923.8425 277963.8547 531744.2914 518949.0721 276915.6713 1329430.232 707535.0409 516479.234 322287.0176 226568.4852 768407.8227 847549.1886 1027905.816 697074.7665 235810.769 606072.1855 325390.9479 1081099.944 1602755.995 741151.1811 844676.7141 606874.5986 1196555.748 448865.8351 1396071.7 1954454.223 1934382.421 1455853.219 2444968.474 2520268.688 3258754.773 3637914.241 1523697.441 1020661.977 3072916.756 1735801.584 1779764.528 17665.74166 2393046.912 2728863.899 2885342.869 1512649.035 3516261.42 3485051.964 3487993.309 3482236.544 2801248.242 2272893.215 5138600.528 3325479.594 4094377.658 5103299.93 3492409.331 3925481.197 3945236.803 7836401.597 5338004.619 3367457.514 3741431.22 3854923.143 Taurine 989735386.3 435605380.9 922374345.7 446377349.1 742176572.4 839980320.4 819258676.7 918780528 917984424.1 306815765 844055424.2 886758931.7 793625163.7 809495535.1 830195990.5 765130635.5 850634675.2 927218989.2 949561189.8 505648708.9 509393811.4 584351829.1 526649171.3 475995481.5 607586668.4 932280589 885975076.7 813077882.1 971171275.4 713077325.5 539235032 570542724.3 566629820.2 660321297.4 449895829.3 689623284.4 367351645.2 1139261256 341789485.7 383836043 432959062.9 533306957.9 461496111.5 409706848.4 405419348.4 416717145.2 565256971.7 542629397.9 212946207.9 486744101 264658083.2 249944964.5 343953330.4 239007329.4 256697369.4 219705359.3 333620099.5 399527111.2 296172141.4 262909828.2 Taurochenodeoxycholic acid 633411.9838 189007.073 325691.504 536272.9789 11359207.1 1504090.219 225584.6614 423723.6281 373439.4714 91667.34607 554249.8557 3643995.802 0 234819.1773 59726.30475 0 480665.1232 307324.7757 511657.6192 69992.3926 229151.9875 342772.7109 284548.2918 317263.7467 35106.46673 708496.0376 854567.145 537715.9328 188812.262 292872.1447 5808553.144 4791246.82 12063365.57 5467992.074 4108731.208 3047454.464 40503.96103 4346114.149 0 977105.574 467627.6306 7740791.684 3466510.03 3855057.239 2421364.227 802010.6177 1715269.439 213562.3902 3982594.375 9563693.978 3720914.596 3865746.67 2384767.032 2453363.361 5205879.386 7939280.06 3560590.17 7190676.13 5402878.867 3809047.933 Taurodeoxycholic acid 3884256.666 675010.3094 35592.67183 1027793.368 77013973.81 13791236.65 430229.9184 1462620.921 2122132.3 226987.8575 13129672.46 23888090.71 301261.0794 732032.1477 683159.5862 4547388.236 792861.509 515762.9683 536148.4606 755215.176 860996.0539 2093960.987 98718.71652 296603.8637 853561.4274 188767.7696 294221.4699 1024711.724 131413.3089 786801.0288 5808553.144 4791246.82 12063365.57 5467992.074 4108731.208 3047454.464 40503.96103 4346114.149 0 977105.574 467627.6306 7740791.684 3466510.03 3855057.239 2421364.227 802010.6177 1715269.439 213562.3902 3982594.375 9563693.978 3720914.596 3865746.67 2384767.032 2453363.361 5205879.386 7939280.06 3560590.17 7190676.13 5402878.867 3809047.933 Taurohyodeoxycholic acid 3884256.666 675010.3094 35592.67183 1027793.368 77013973.81 13791236.65 430229.9184 1462620.921 2122132.3 226987.8575 13129672.46 23888090.71 301261.0794 732032.1477 683159.5862 4547388.236 792861.509 515762.9683 536148.4606 755215.176 860996.0539 2093960.987 98718.71652 296603.8637 853561.4274 188767.7696 294221.4699 1024711.724 131413.3089 786801.0288 5808553.144 4791246.82 12063365.57 5467992.074 4108731.208 3047454.464 40503.96103 4346114.149 0 977105.574 467627.6306 7740791.684 3466510.03 3855057.239 2421364.227 802010.6177 1715269.439 213562.3902 3982594.375 9563693.978 3720914.596 3865746.67 2384767.032 2453363.361 5205879.386 7939280.06 3560590.17 7190676.13 5402878.867 3809047.933 Telmisartan 292469.4691 174254.106 1020667.869 256307.4578 475086.2411 836991.3675 113788.9143 1193853.542 880339.9663 636726.3948 463695.3894 1062935.803 466905.8463 134668.2966 2591276.459 803661.9005 405337.6057 454440.9104 1234785.414 489437.9696 1968710.316 1617105.563 383091.5661 815143.9576 1394193.305 2452608.521 4111533.777 756203.4961 2754428.584 1906210.011 1641996.581 2022794.572 3343076.217 2795140.721 637970.835 957886.8981 3009376.4 1640742.393 1962946.603 2017243.352 3377869.601 1628130.713 880024.9764 1829604.893 1276880.361 2597707.635 2461806.838 1865704.903 659948.757 2557767.78 522857.0115 791433.7068 1937283.504 2882233.201 6937917.874 1583249.574 1208785.411 4311006.162 785260.3879 3802767.453 Terfenadine 237575.5322 93201.82502 546057.5127 140637.0143 2199919.948 625622.518 314359.7709 416161.4016 138531.407 32077.8145 127442.2442 2913386.964 23266.45674 81612.65201 270772.8159 1385338.052 116099.5967 71986.76668 280014.1512 34804.45989 62084.96882 88536.83145 17160.75696 16833.29361 137156.3391 70524.04866 38909.33875 13174.411 58247.24318 17925.4925 1053526.948 1163217.298 546164.3688 517201.9448 869825.7526 461148.0024 145214.7723 1352183.608 114169.1822 90834.96716 66446.04261 3066754.22 85557.8008 78049.05946 146663.719 249012.8535 196866.8141 83562.05219 80705.65016 150226.1362 196056.852 97530.9712 102050.757 101366.2054 70393.62773 126909.6188 109978.9727 107154.589 118166.1087 118434.7308 Tetradecenedioylcarnitine (Car(14:1-O2)) 1169241.821 292778.4295 1304839.527 279580.3716 7260054.25 2001874.158 2254066.883 2270919.34 487397.7208 112182.8681 581340.9631 1730853.03 297056.5342 380328.3048 349022.1386 1997941.825 793647.3718 1030472.336 1671025.965 79956.38416 197103.2756 736000.2294 180042.9109 183421.2082 550288.7055 751991.438 946273.2729 738013.166 863490.0825 475983.346 2521442.039 1838535.225 924445.0784 1215963.61 1445741.427 1464859.377 1176810.398 2232927.655 678395.6567 967035.27 931483.342 892481.0165 2031512.781 2147205.973 2052449.808 881649.267 1220516.357 858852.0252 1349028.634 1500835.042 1403101.117 1373611.834 1407918.118 1498353.414 1390750.466 1342227.523 1078076.167 1193065.456 1227193.706 1155346.021 Tetradecenoylcarnitine (Car(14:1)) 22606941.79 6633717.802 16750240.58 2643896.29 78863838.01 24005318.92 18046556.11 25379774.29 9968505.589 676082.6264 16280414.3 19981858.33 5118993.574 4591348.256 3133314.515 21007240.62 8763948.802 20985887.78 21593896.55 3730307.361 6848082.401 20577752.69 5476467.479 5818956.205 7632335.979 31499280.22 37282153.15 18183686.79 8291873.344 16009439.18 69371763.32 56318121.13 71225384.56 75097310.91 36866234.6 74083591.75 55808703.22 47912862.2 38759190.35 34360264.29 26850954.72 97950819.15 33229178.55 21727063.54 25687809.8 49717255.44 61019444.22 57630180.75 21439153.04 36254164.27 39994532 24664705.21 45968690.95 31019585.28 30352987.57 18993157.1 21681695.61 11131897.62 16076832.74 31373634.09 Tetradecylamine 5164881.466 882391.5001 3260189.496 1842798.907 4345782.001 2021217.299 10463422.79 4606760.842 5851762.231 444753.5689 8404398.798 2480482.843 1202637.322 2405567.262 2766467.733 1964812.708 11075562.45 2238149.795 7110863.235 2827150.355 2876777.684 8636470.83 1164257.988 1535551.995 7322108.193 4555207.256 5288986.043 5436644.586 2540879.282 8181145.404 243338.2949 345374.0067 212280.2065 116916.7291 180172.0569 238228.9568 102904.8427 237963.6418 168511.2329 130130.7401 0 187287.171 53574.67107 197181.4592 98672.44145 169880.5569 127789.1203 97143.88759 74931.51133 149805.1181 92831.13838 66983.74163 102233.5458 74177.59645 79071.84845 76022.11254 59954.22841 897472.3801 27282.96267 81031.36981 Tetraethylammonium cation 11599192.55 11538858.01 12102368.15 12663333.66 12698709.65 12040307 12895824.99 12108501.18 11820504.19 11668346.99 11342909.83 11720950.57 12635636.64 12602204.77 13477959.07 13408113.46 11864995.72 12281005.5 12067295.71 11610167.08 11701255.85 11983538.9 12407371.84 13025405.41 12366014.99 11700495.97 11732517.19 12543431.94 12594619.98 12249090.36 2634922.915 1809942.78 1619435.72 1809248.498 1722292.012 1941031.775 1750583.843 1780130.588 2785234.521 1678200.855 2024529.731 1722524.103 1683844.412 2006826.499 3161174.506 1610726.301 1797778.69 1788649.057 1568304.683 2125068.14 1653239.391 1675732.265 1838037.987 1761210.7 1713332.412 2120258.139 1876576.396 1438406.665 1609392.332 1836406.892 Tetraethylene glycol 92135419.94 40381141.83 61054973.33 33620989.8 33050658.9 104779861 106896383.3 132335044.6 122370295.3 15152579.99 114592841 125353191 85497589 34573465.32 100133977.5 50341080.39 134510681.3 108817837.8 90254045.54 20909462.46 53551692.36 66424996.21 17188081.78 50872737 23397418 88176740.3 42425400.09 91523937.12 150823596 85306213.43 57200854.08 99129333.2 58545913.74 68512548.88 55857165.91 86369145.87 33269524.21 40559133.85 43333627.99 82818962.06 74562225.76 77231325.62 78091401.19 64170314.54 70997326.41 50321029.17 49818093.18 56254112.05 82054393.61 76251132.23 101392751.8 73420788.77 100238229.7 24960170.91 65190796.62 87182360.22 64107118.33 35069448.78 62156183.41 91608416.16 Tetramethylthiourea 25938679.85 113601497.6 21962427.97 106693875.6 30019223.34 31689952.82 24715441.65 31744577.54 39553121.52 116976512.3 25450788.19 43510470.27 84618991.05 52029132.56 56278298.37 37271618.43 29599386.72 42623060.75 56766891.71 119225323 101154300.6 92850959.82 100828945 63982234.91 22471840.88 32185491.15 29090382.94 29442764.82 26909116.89 11824967.48 1717892.375 1895214.896 385590.7618 1295998.032 1510868.658 660898.535 469905.4669 562886.9489 951635.7845 502313.5633 438723.041 394025.6745 1054523.032 1037013.583 1322751.959 827931.8393 492372.6275 388023.2682 673222.3999 899064.112 727854.8223 1121902.979 693084.5335 686110.7042 444243.3077 413455.8859 903489.6606 1276115.597 1193795.606 560880.0286 Thiamine 50327315.34 25184918.5 38081681.31 21405989.56 33706486.36 32976951.1 47778294.12 32167159.6 67541316.59 29674744.98 54141197.99 37500867.39 62053754.98 70468187.84 74514694.25 47149299.95 61857331.9 93672667.07 63781743.09 24728518.16 23883436.29 37928784.65 25861091.12 20662285.69 31146987.48 65583804.63 70439996.13 60672840.23 54439294.9 50891828.18 9057851.971 7399213.813 3935634.479 3555119.379 3644479.155 5209136.847 5311376.733 2474307.956 4821158.364 3645761.142 7988878.903 3640327.667 7598564.087 6454455.988 6965315.252 5901867.052 3222290 5480553.382 5707062.607 12203410.69 3843492.157 11119924.32 5108433.936 4175584.766 5009642.471 12402887.72 9819891.084 6410764.69 6860355.903 7746001.447 Threonine 19787355.9 14448029.66 22169581.15 16450037.77 23500099.52 9825414.473 11436992.27 23627677.54 22508207.01 21787243.96 15352552.4 28035131.77 26738540.18 38782297.89 32801048.48 15216553.37 35613503.13 38296743.08 24574641.51 12284855.91 9847126.675 15591140.36 12743506.6 10196198.57 10856942.64 27482072.67 23157406.08 16509759.92 18415581.61 12560983.59 33328518.38 20666366.76 18744394.48 19245455.42 18298989.49 11525101.77 20608032.98 18963486.99 8937467.815 11596822.42 28676003.21 19657054.39 20133689.22 23309075.54 40379531.19 12881443.94 16263499.52 28971395.01 19172916.88 21840337.18 23582053.1 15802966.38 20990347.06 10773444.54 15886115.89 29504306.67 13053375.75 26840432.69 15161443.41 21065265.02 TOPIRAMATE 3593366.447 863013.7827 2244444.297 56794.15403 1718563.534 2396343.759 1293892.545 1613588.214 1995698.211 757226.2952 1485822.524 2744282.586 4068387.984 3183188.448 1229546.228 1727536.16 1057748.442 403752.5957 597069.1895 1490399.243 1505589.678 2341521.033 458523.7696 1204676.513 3529672.567 1746856.014 1634258.993 3109357.058 3007945.183 3966339.827 25746099.3 27610690.91 31001034.99 28156297.83 27524951.21 27162371.59 31068750.01 25241955.47 31928767.1 25047003.55 34555551.79 22812197.49 40031283.48 40655526.17 38123247.52 34928581.24 28556103.91 26089467.54 32145358.08 34337786.76 35706387.87 43008389.77 37794376.58 25912337.22 25493652.91 31418185.18 35263528.53 27396758.57 32245800.3 29960089.73 Trabectedin 0 157778.7623 1363265.949 108283.8656 0 239506.8551 435980.8611 2698941.715 2140725.238 395984.1997 558495.4191 92462.27112 1603122.25 3428838.751 3388966.301 502411.6032 256726.2384 418284.6473 2660226.408 6191310.33 15935214.08 18018585.24 13592070.28 15470477.47 13242910.55 8703507.331 7419583.328 12895489.8 8152063.341 15226534.12 6478697.002 6324957.427 8907460.75 6184464.134 7996706.252 6805768.152 7981643.662 3839302.433 9393595.681 6104036.033 11853334.97 3734682.481 19333166.33 20298397.96 18059622.4 13151971.02 10730381.02 7964353.371 8568354.637 16856316.98 18100920.04 17971488.69 14943988.49 7740242.105 9327844.592 11972401.45 17963062.2 13204919.88 15741639.88 14960321.28 trans-Zeatin 103432591.6 26961287.75 66766945.5 26481528.28 80312000.34 74563040.49 77118805.84 62340961.51 57265455.56 8727757.836 79515035.12 92579044.75 16131959.34 33122780.21 32909041.27 56056060.34 77185563.34 77507268.88 24312652.79 7497535.813 9980456.413 13718812.29 12621825.3 9897050.702 17311394.54 26151326.64 26174822.1 26577237.59 27813891.5 23833430.53 8981263.592 8305034.578 10104470.28 11735627.45 7175568.094 16429473.22 13781094.16 6948555.984 9287055.687 9068187.684 5728165.752 17180800.32 5033004.223 3068167.323 3800703.666 6678546.186 9801825.462 11790537.25 4888149.713 4207099.25 4768967.04 5447267.002 4069111.282 5190059.364 7754055.748 7605257.473 4967542.328 6591573.165 5339850.953 5307109.223 Trichodermamide C 6392712.123 1015175.12 9388857.723 1562475.028 6274980.438 2592909.783 5459921.53 5152586.474 5552451.171 210759.3938 4876228.093 5318325.081 3187693.157 4517374.131 3495567.485 4009872.93 5143251.296 4220398.256 13293893.91 830373.217 670188.6612 1651093.594 914390.55 875673.6467 2196068.916 2677463.312 1745594.56 991554.5844 1433050.049 91115.13265 309611.6686 267521.5855 201607.4865 195978.3957 298945.8891 223051.3325 241942.9112 186794.4627 322057.1353 270432.0114 226395.5145 248427.2643 246677.0398 295686.2382 186420.3064 225487.3062 242226.2661 230168.3031 285707.3133 271041.4496 206501.3053 190174.538 182549.1961 184060.4321 289986.8309 197736.7231 190423.4976 239945.7704 202732.1463 200759.5255 Tridecenoylcarnitine (Car(13:1)) 3162868.967 1224095.869 4238384.75 810696.9189 10486183.05 3936319.264 4215013.59 4407869.211 2198704.469 130140.022 1938106.416 2276625.109 900460.4591 631253.254 299311.2589 2700173.609 2110855.549 2740202.896 2811658.045 744179.5913 733761.6537 1503446.014 848965.7073 609924.8431 1211081.511 2034708.47 1791714.714 998521.7919 1762431.901 1162579.776 1343532.697 899035.9674 1371790.403 1855194.075 560017.3409 3132881.842 1641268.435 1483282.699 400516.0048 745779.6341 566997.821 3216677.517 759676.3031 758929.9903 300049.7316 1552240.881 1395050.993 2408502.954 2503742.633 1593423.491 3576009.991 1893586.325 1980505.802 2659283.24 959075.6882 1165535.168 818745.3927 222944.6645 350414.4432 1983047.136 Trigonelline 17104299.5 5351667.77 17548426.29 8308187.377 17749054.78 24129179.74 13188782.72 18088370.8 20605470.68 10499190.26 12422576.56 14555124.57 32196608.72 25304692.24 13125699.89 12059421.7 11442016.08 13886631.34 25716148.82 19125810.04 8792052.715 18022913.02 8917127.852 7687548.245 19891991.54 30978747.11 42478723.69 29694852.82 24352879.03 24737442.11 208958968.4 215886042.2 97114223.39 46662478.82 192930271.7 6489439.037 116385855.4 32838176.51 19914060.21 187399732.4 214301690.6 5420135.53 275498640.5 276338013.9 258181626.3 81931600.45 73914881.92 88173622.45 110119586.3 234553566.6 139234403.9 141327114.8 142106556.1 127557845.5 224240354.6 218542232.1 183066807.2 305423647.1 237293667.9 165323633.2 Trimethylamine N-oxide 21773633.15 15611402.31 35604324.67 12679340.53 14886749.4 12970761.23 14287964.66 26448715.18 27734227.92 11753749.26 17007745.11 43140180.55 130044187 159662876.4 181850745.7 10085797.4 26117341.04 24590698.51 192766128.7 82083806.85 61543699.49 85823945.67 63596749.53 62250148.1 82993027.3 167255755.2 150020259.4 152882814.6 218669702.9 145216444.4 272063945.6 326692337.2 107560350.1 78484341.32 280371314.4 43121653.86 36698465.04 86029340.65 54744097.53 80535649.8 61765164.85 98713040.58 421791815.4 449972098.5 452084990.5 160900165.3 199114562.8 50921834.85 133913957.2 207321330.8 176869292.9 179484836.5 139424702.4 168947932.7 257419030 346968496.8 290939973.3 314905685.4 212678693.4 221831634.2 Triphenylphosphine oxide 7278177.435 15001559.69 10388983.5 41736387 18132377.95 9444484.551 9558353.758 8080921.572 6577080.817 8819459.606 12421025.86 16493435.64 3889732.462 4920872.951 1429190.809 24399186.79 18857425.54 23349464.78 2258735.866 3792642.672 1565515.158 4136591.436 1872905.917 1293776.214 2439438.052 2009099.525 3970191.77 4932450.062 2247412.12 4502940.692 3226173.746 3055323.548 1208432.032 941390.0633 779372.1868 472401.4477 963689.9827 1312055.779 925823.5882 954210.4614 681341.7609 658192.7826 6391872.74 8201938.642 7365689.545 713835.5754 806871.9038 818188.8116 1528508.834 3579884.418 669538.4108 3397873.273 566905.4612 2685106.715 3570438.267 957544.2466 4541618.762 5124093.728 3696081.789 2317141.227 Tris(2,4-di-tert-butylphenyl)phosphate 26667359.56 22165613.98 41658022.88 20664172.71 26128797.14 12076912.43 32147002.73 26255114.38 451544.278 6359105.997 18511345.51 36817142.45 13151294.07 13373284.54 9408267.04 31648440.82 66326731.24 48662927.64 43951166.46 11250324.43 12338324.53 9505452.447 13709306.51 5850977.76 12603110.89 51177272.56 40136930.69 38111675.81 40553336.88 45839628.74 50508562.09 43216540.15 48020113.21 40094255.92 42774168.7 50886281.71 57252430.22 48153815.82 54839340.61 63644369.6 49565628.94 51135458.14 48085311.38 42492746.62 40912779.07 48248122.17 38763372.47 40832298.47 51442582.48 32996850.92 41752137.36 45858017.41 49837117.25 45269874.53 46989690.11 44742403.94 37806773.8 30326871.72 44263416.72 50246735.88 Tryptophan 72369974.02 241683.627 65637533.59 511000.4453 62442281.44 31084266.04 40188996.46 32959271.7 112470704.3 240442.3341 53466381.82 60740051.86 11415355.88 76831220.07 28405768.35 17952317.66 91602576.76 96749183.38 55682891.05 838145.8174 613302.0789 3290478.703 478333.6907 1260323.855 5818216.159 62449971.19 68430015.92 37170973.79 46750297.89 38345233.04 19537544.18 16785949.21 8417563.084 8472607.716 15580158.71 13852939.36 11024329.99 12193958.37 7442360.321 19864097.77 20453944.91 8436293.781 21901476.98 15940106.34 17617198.24 12919364.52 15131421.09 14576568.54 12812290.52 17894872.16 19556100.75 22623530.44 11966159.45 9774335.575 39099520.99 32143964.87 21270640.5 46675696.23 26561306.05 18183069.18 Tyrosine 92061907.47 1136877.258 103483420.2 979753.3934 72293214.66 46683187.6 60051494.73 88280953.51 153420407.5 245659.6694 69338089.2 102462981 21211516.34 99337913.82 53951764.28 27628086.87 105409170.2 110484378.8 88900612.09 1034299.152 773844.5887 3128081.409 532201.5299 1495616.234 8395320.391 74444390.46 74178438.32 43443438.26 57810596.87 40022257.28 2126153.249 2181062.955 1028951.439 1299681.546 1767150.931 1476506.019 1154952.046 2368087.967 1164238.375 1229765.667 1736784.281 1387565.398 4381527.699 4078384.897 4201496.228 1410510.913 2403585.811 1308389.698 1280544.93 3756950.447 2084615.661 2720717.91 2358567.843 1797331.668 2432070.296 2364797.454 2205684.941 4685408.399 2704103.005 1441880.488 Tyr-Val 5096639.394 553633.909 9323048.527 499283.2122 3999443.83 2680409.423 3787271.12 9886361.559 6674960.962 641791.5356 5764955.207 8148821.152 3472530.088 4034003.328 7758526.842 4672365.7 2748617.445 2791410.495 22144078.31 2573079.762 3353239.369 5014844.36 1266898.772 4780401.482 6997301.671 13004019.73 9931045.875 2561237.377 19898968.93 5239156.935 1845246.133 1582912.253 439656.1761 238671.0095 1191917.886 159319.8418 430787.2676 365776.6329 211858.2191 530736.0589 1326991.064 107722.1882 3954415.255 3271074.644 3340560.103 876564.9729 851122.393 515223.834 813533.2491 1770861.509 980754.4137 1265403.369 1094376.232 1053066.832 2022797.379 1986290.131 2064293.146 2108932.908 2092595.562 1355192.106 Umbelliferyl arachidonate 1813594.115 3006123.616 3048461.087 7830812.66 12635743.25 10728210.11 2963495.828 8736985.123 1862188.237 2146593.644 943997.8796 8457897.068 6335747.663 11272333.69 7069003.955 2051585.019 4011851.211 2440658.615 8024161.024 3818969.296 1734417.156 1465940.97 1630309.234 675353.7074 6894590.769 820652.9112 862110.1229 771865.6614 8547201.662 2216864.111 381826.5402 280490.623 305036.1461 245089.952 88196.65373 365470.6446 165672.1261 221998.1352 200201.6943 168689.4636 103735.4766 103805.4558 153443.5143 212074.7599 311701.1287 324880.9513 365420.1253 95652.68363 54322.65173 190746.5303 192930.966 204602.2303 279365.4916 247223.9296 692920.1769 754606.2783 346213.8916 65784.62221 574237.9718 282098.5536 Undecenedioylcarnitine (Car(11:1-O2)) 959084.1262 205126.1166 2718125.578 1643258.524 6426884.698 2978088.663 5124155.63 7892472.931 6217601.481 472833.0245 12130273.82 44323373.84 558919.7523 5316449.931 10520218.5 104839478 3936929.734 12016532.19 3242651.224 266008.5542 1874647.244 1513159.234 16690410.57 271110.9479 2209455.694 1037592.837 4305696.734 2835246.23 851938.5595 17187364.62 6549084.268 946294.5009 682568.0788 248623.9577 440664.6333 0 0 0 0 430919.8428 1470230.826 2305820.408 0 1913365.81 0 3021662.584 0 0 23035591.37 0 0 0 68559.84344 272865.2465 483285.9465 76527.87918 158161.8711 0 343338.7895 188530.3589 Uridine 8485750.947 3897988.605 7889077.727 4208928.243 7547499.218 8883857.804 5080013.09 7913725.405 10585538.16 1425923.726 4300206.289 7941384.027 3414917.645 7939114.274 8796978.939 4814710.568 7655582.896 3895622.527 10048062.11 4026821.274 5498063.677 7379328.91 3125945.456 4753578.347 5782991.345 14045650.99 10589445.55 7833683.017 10761277.56 5288934.127 4929412.282 6132384.565 1795052.851 3100068.904 6265657.805 5793375.859 6089899.596 1057703.401 6873534.922 5306274.852 4694083.738 9263552.551 7638542.629 6102426.798 8181000.984 7862681.134 8605746.153 3288099.981 7620601.184 6632161.005 7509620.753 5657802.261 6219107.15 6540073.543 7697083.164 6725250.758 7312160.384 8122472.597 6304629.178 4405663.93 Urocanic acid 621781.2875 947992.2521 598648.5936 2191333.484 5743069.849 2886778.653 1027138.725 2409011.338 833199.488 344286.1774 879429.6418 1138603.372 709214.2717 886831.4707 1708011.461 820968.8552 1571044.292 719089.8762 2249210.97 374664.6116 489748.0478 483507.0117 275465.0364 445094.4381 480264.5335 526033.6895 502760.1846 1059670.279 593956.6446 600183.1751 107739397.5 102729964.3 19071528.64 16705544.99 104754676.1 12326904.21 14133375.02 12601141.26 11549054.93 23924068.8 56025431.52 9445619.102 16811942.49 34142694.4 18304344.22 26807229.85 26811601.52 13331168.12 21594763.23 18117616.58 34238808.77 38329141.19 22384467.42 82151595.59 69870627.28 91838839.81 33146795.54 29653840.4 36910055.22 74896636.74 Valdecoxib 2109223.204 3394194.653 3154716.571 6625313.115 1616239.445 1958638.586 1926823.519 2931861.293 1613311.07 371025.0132 2902514.817 3011739.318 3289894.098 1963273.044 2899837.301 3532136.155 1793933.369 3081270.388 3834114.076 1786399.701 2386742.178 3660303.231 2481802.394 3889580.508 2216465.001 1770393.168 1647683.697 1831681.474 1531984.881 2722689.339 53144874.1 1355141.417 22266954.87 11545846.95 29321177.05 141907.8039 177979.4543 163232.138 162352.1393 168452.3149 40140.54666 135070.7034 293941.133 182647.3573 176135.7748 272462.4261 217856.8571 49016.57872 142384.484 40143.80541 59684.08752 147851.8225 150085.949 235462.3158 32276.43701 128275.252 156193.8291 152415.2825 1068393.358 178402.1861 Valerylcarnitine 1174228163 285791842.1 1169143645 226967410.3 589980324.7 887162056.1 802588550 2886941948 1328195290 74101433.54 548013260 1796316482 1096837841 945083574.8 491398837.5 840360331.2 408112123.1 809739498.8 1771305997 290319989.3 193177546.8 592435869 102271751.7 406908066.3 478365443.9 734703525.6 411740421.1 425314682.6 921086035.5 509946190.3 119058016.9 80951202.73 34969052.56 39809682.84 66365713.12 47884319.28 49118287.56 40672441.08 37868026.22 34020486.72 46794833.93 38872238.18 93356072.6 71364571.94 80893146.39 46181727.02 74370678.98 67938149.72 42312458.22 86466177.61 57392321.19 73639612.25 44124977.86 37438018.06 73635662.18 53199358.44 46743077.63 82166133.46 69513137.63 40631945.95 Val-Gln 4953400.511 1531668.356 4556239.234 2078647.891 1976471.055 2264116.971 3278794.904 3526406.164 5440178.851 1366605.713 3445547.237 7057966.491 2060667.522 3570619.651 2058306.118 4981205.122 5356993.114 4703140.173 5416936.458 2239131.313 961743.6565 2871623.915 1061070.031 2075638.189 1580070.662 3184232.423 3518010.091 2735076.305 1741515.721 2312689.878 736940.532 573118.717 400183.6287 179351.9256 540352.0235 340188.8748 179818.5017 956524.9074 319423.5917 270746.7233 1013139.363 266297.8556 1910584.327 2106226.756 1501033.177 457025.0733 394685.4251 228392.7664 730820.5112 1588299.995 1177520.884 1234462.93 1191030.975 936000.4524 1076679.255 1069414.844 1750148.567 1681546.217 1064734.508 1059402.221 Val-Gly 2496672.476 1489741.066 4038396.231 1137258.412 31323846.86 979640.0898 1484737.26 2297813.179 3369872.324 3034089.521 1312447.933 3398926.281 2509482.532 1775095.887 12368971.04 4561729.816 25052930.86 1985035.628 6300857.305 4475641.252 2708264.696 5558730.893 29585542.99 5524628.893 2913022.875 6333805.315 7144458.422 2515955.121 3044616.194 3903351.505 835066.2684 38187046.91 52651745.49 38101840.14 29210876.92 27023592.75 26045700.3 2044981.815 1436543.668 32889728.71 31535951.54 765356.7688 27357884.14 1098276.623 1001750.314 873254.3595 33593481.93 39487294.66 667951.3541 846881.1092 729055.0017 705507.4616 716936.9031 1073981.378 18696838.05 838573.9886 1120661.343 42830661.92 819718.2756 765751.4279 Valine 500189249.8 133954147.3 546510642.3 177887674.7 550393835.4 400899577.7 403845873.8 439459169 655613815.7 94955507.23 420589581.7 537354008.2 306740333.9 568697352.1 375946995.9 360567475.1 550700379.2 582854927.3 481419158 121228512.1 103768420.4 232981748.9 108351726.6 143759042.4 175657418.2 343663687.1 366716173.6 298820344.5 323569008.7 243039475.1 34070378.88 30709742.55 27137996.89 31611556.36 29257570.82 21370856.34 143153733.1 34916144.13 26209073.58 24716558.16 27380677.66 32907449.88 35930375.7 36081365.31 39374964.72 27188432.84 29570169.09 27190620.83 94885084.15 35107031.8 25366633.92 27778144.76 21677109.84 19740535.03 31093414.09 29010283.26 28705790.96 34602158.5 33811782.72 25620616.46 Varenicline 2328519.709 823533.9188 4557438.751 503238.5504 348394.3286 3651309.569 2038954.428 2800093.279 1805747.361 5969497.715 2702906.049 3927576.02 249911.8462 384362.5767 4296530.142 3862408.522 6758327.602 1433568.792 2692870.002 2578549.962 1656818.377 7216299.715 428013.4287 1354523.079 2969190.731 6038099.597 4422131.857 4753095.818 1885937.663 5093955.265 5740009.179 784970.133 720468.1538 226485.4702 1066365.933 0 197374.3827 7632631.421 95637.23312 1425433.141 137315.3038 0 443619.2906 920742.6359 67111.80426 251039.1128 28750.81472 364235.6858 102822.0185 60154.67402 549049.6711 0 331526.8477 207486.7488 616099.409 1117666.501 1414400.409 24781.90457 500207.6747 698309.1941 Xanthurenic acid 2645763.84 4010760.935 2224132.782 3742151.729 2203076.018 4233517.223 3400989.373 2718634.083 1653649.706 400838.7281 3948534.149 2885687.317 1223829.766 1170511.002 1074923.671 2810079.31 2600515.568 5279880.984 1946908.725 1569785.867 2031336.233 2150372.125 2602247.408 1921930.506 3782689.943 3403770.512 3584867.706 2925080.304 5159156.003 3306208.556 3253516.897 2510453.895 2062747.804 810494.7299 2597132.727 100540.5685 1618497.308 498628.7267 435580.0474 1512529.277 4354532.929 39765.02629 5533696.858 5714014.317 3450778.659 1887403.894 963137.2147 1714863.523 1392391.411 5235787.352 1972911.213 2092083.747 2719137.779 2041374.556 7038172.753 4354294.545 6644856.553 6170857.254 7023105.963 3567711.349 Zolpidem phenyl-4-carboxylic acid 45323.41538 0 109410.8858 0 171731.707 10319.06362 0 375426.7993 392127.0892 0 10934.96138 28299.1385 0 133071.2219 87376.96732 31986.8245 53483.2571 87721.28918 291974.0828 0 20102.43048 73985.5283 0 19734.75593 22472.78249 119799.0856 54657.76774 71098.67505 24511.65462 46764.12296 1549396.537 1699533.306 1097440.776 936614.5977 1295819.744 985253.5382 875774.8495 1382470.889 871635.666 1141178.758 1253465.096 850833.5977 1987518.18 1440636.183 1481051.615 989618.7357 1212568.277 1318259.298 1242662.127 1721589.637 1591111.71 2097924.776 1543560.05 1048306.334 2146880.335 2371595.736 1642196.388 2354935.011 2154451.078 2218949.849 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name mz rt HMDB KEGG COMPOUND ID Nicotinamide riboside (NR) 255.0975 211.3 HMDB0000855 C03150 Carnitine 162.1124 207.8 HMDB0000062 C00318 Trigonelline 138.055 168.5 HMDB0000875 C01004 Pyrrolidine 72.0808 165.2 HMDB0031641 PC(18:1(9Z)/18:1(9Z)) 786.6008 68.1 HMDB0000593 PC(18:1(6Z)/18:1(6Z)) 786.6008 68.1 PC(16:0/20:4) 782.5692 67.6 HMDB0007982 Nicotinamide N-oxide 139.0502 64.2 HMDB0002730 Nonaethylene glycol 415.2537 31.4 6-Methylnicotinamide 137.0709 23.6 N-Methylnicotinamide 137.0709 23.6 HMDB0003152 2-Methylnicotinamide 137.0709 23.6 HMDB0059711 Creatine 132.0767 205.8 HMDB0000064 C00300 Trimethylamine N-oxide 76.0757 194.2 HMDB0000925 C01104 3-Ureidopropionic acid 133.0608 190.7 HMDB0000026 C02642 Dimethylglycine 104.0707 177.4 HMDB0000092 C01026 Pehanorm 122.0812 170.2 HMDB0240288 C07182 Betaine 118.0862 160.1 HMDB0000043 C00719 Isoleucine 132.1019 158.9 HMDB0000172 C00407 Phe-Pro 263.1392 143.9 HMDB0011177 Cytidine 244.0929 136.4 HMDB0000089 C00475 3'-O-methylcytidine 258.1083 79 HMDB0304396 Hypoxanthine 137.0457 76.3 HMDB0000157 C00262 N1-Methyl-2-pyridone-5-carboxamide 153.0658 33.3 HMDB0004193 C05842 1-Methylpyrrolidine 86.0964 22.8 HMDB0243946 Tris(2,4-di-tert-butylphenyl)phosphate 663.4542 15.5 2'-O-methylcytidine 258.1083 79 HMDB0242132 sn-Glycerol 3-phosphate 173.0211 254.3 HMDB0000126 C00093 2-Aminoadipic acid 162.0763 239.4 HMDB0000510 C00956 Glycerophosphocholine 258.11 225.3 HMDB0000086 C00670 1-Methylhistamine 126.1025 195.8 HMDB0000898 C05127 Pipecolic acid 130.0863 183 HMDB0000716 C00408 1-Methylnicotinamide 137.071 176 HMDB0000699 C02918 (2R)-6-Oxo-2-piperidinecarboxylic acid 144.0656 173.3 HMDB0061705 Taurine 126.0219 173.2 HMDB0000251 C00245 3-methylcytidine 258.1086 140.8 HMDB0000982 SM(d18:1/17:0) 717.5895 104 HMDB0240609 Ile-Leu 245.1857 103.4 HMDB0028911 SM(d18:1/18:0) 731.606 88.7 HMDB0062559 Adenosine 268.1039 76.2 HMDB0000050 C00212 N-Acetylhistamine 154.0975 54.2 HMDB0013253 C05135 Palmitamide 256.2635 17.5 HMDB0012273 Cer(d18:1/16:0) 520.509 16.8 HMDB0004949 Proline 116.0706 184.4 HMDB0000162 C00148 Leucine 132.1019 158.9 HMDB0062203 C00123 L-Azetidine-2-carboxylic acid 102.055 249.8 C08267 gamma-Glutamylalanine 219.0976 239.4 HMDB0006248 Glutamate 148.0605 233.5 HMDB0000148 C00025 Guanidoacetic acid 118.0611 208.5 HMDB0000128 C00581 Sarcosine 90.055 190.5 HMDB0000271 C00213 N-Acetylputrescine 131.1179 190.2 HMDB0002064 C02714 Urocanic acid 139.0502 172.3 HMDB0000301 C00785 Methionine 150.0584 171.1 HMDB0033951 C01733 Stachydrine 144.1018 160 HMDB0004827 C10172 7-Methylguanine 166.0722 94 HMDB0000897 C02242 Creatinine 114.0661 75.4 HMDB0000562 C00791 Uridine 245.0767 70.2 HMDB0000296 C00299 Lauramine oxide 230.2478 67 Pyridoxal (Vitamin B6) 168.0654 40.5 HMDB0001545 C00250 Nicotinamide 123.0553 28.1 HMDB0001406 C00153 PC(16:0/16:0) 734.5696 19.5 HMDB0000564 2-Pyrimidinylacetic acid 139.0502 172.3 N-Acetylaspartylglutamate (NAAG) 305.0981 254.8 HMDB0001067 C12270 gamma-Glutamylglutamine 276.1191 249.7 HMDB0011738 C05283 Glutamine 147.0765 222.5 HMDB0000641 C00064 Methionine sulfoxide 166.0533 220.7 HMDB0002005 C02989 Histamine 112.0869 217.4 HMDB0000870 C00388 Methylimidazoleacetic acid 141.0659 187.4 HMDB0002820 C05828 Hygric acid 130.0863 165 HMDB0094696 C22223 Phenylalanine 166.0862 155.7 HMDB0000159 C00079 Methylguanidine 74.0713 152.9 HMDB0001522 C02294 Biopterin 238.0935 147.1 HMDB0000468 C06313 Inosine 269.0877 121.8 HMDB0000195 C00294 3-AMINO-2-PIPERIDONE 115.0864 103.4 HMDB0000323 N2,N2-Dimethylguanosine 312.13 99.5 HMDB0004824 1-Methylinosine 283.1036 59.3 HMDB0002721 Hexaethylene glycol 283.1751 29.3 HMDB0061822 Pentaethylene glycol 239.1489 28.1 HMDB0256256 4-Aminobutyric acid (GABA) 104.0707 217.7 HMDB0000112 C00334 Ornithine 133.0972 289.9 HMDB0000214 C00077 Glutathione disulfide 613.159 286 HMDB0003337 C00127 gamma-Glutamyllysine 276.1555 280.6 HMDB0029154 4-Guanidinobutyric acid 146.0924 211.2 HMDB0003464 C01035 Imidazoleacetic acid 127.0502 192.8 HMDB0002024 C02835 3-Hydroxybutyrylcarnitine (Car(4:0-O)) 248.1493 190.4 HMDB0013127 Valine 118.0863 184 HMDB0000883 C00183 Tyrosine 182.0811 180.8 HMDB0000158 C00082 Sorbose 203.0527 169.4 HMDB0246950 C00247 Propionylcarnitine (Car(3:0)) 218.1387 167.9 HMDB0000824 C03017 LPC(17:0/0:0) 510.3551 117.2 HMDB0012108 5,6-Dihydrouridine 247.0923 73.7 HMDB0000497 N4-Acetylcytidine 286.1033 69.1 HMDB0005923 C22293 Daltogen 150.1125 58.3 HMDB0032538 C06771 Sphingosine 300.2897 29.2 HMDB0000252 C00319 Tetraethylene glycol 195.1226 27.4 HMDB0094708 GlcCer(d18:1/16:0) 700.5724 27.4 HMDB0004971 beta-Guanidinopropionic acid 132.0767 205.8 HMDB0013222 C03065 Norleucine 132.1019 158.9 HMDB0251526 C01933 Leu-Ile 245.1857 103.4 HMDB0028932 Lysine 147.1129 298 HMDB0000182 C00047 Histidine 156.0767 221.4 HMDB0000177 C00135 Thiamine 265.1115 205.8 HMDB0000235 C00378 N-Acetylhistidine 198.0874 189.1 HMDB0032055 C02997 Diethanolamine 106.0863 175.6 HMDB0004437 C06772 Serotonin 177.1023 141.8 HMDB0000259 C00780 LPE(18:1(9Z)/0:0) 480.3084 120.6 HMDB0011506 LPC(16:0) 496.3395 119.2 HMDB0010382 PC(P-16:0/0:0) 480.3444 110 HMDB0010407 1-Methylguanosine 298.1142 103.4 HMDB0001563 Bistris 210.1335 69.8 HMDB0249241 Acetoin 89.0597 27.3 HMDB0003243 C00466 Caprolactam 114.0913 24.6 HMDB0062769 C06593 DMPO 114.0913 24.6 HMDB0246162 Melatonin 233.1285 24.1 HMDB0001389 C01598 Phosphate 98.9842 277.5 HMDB0001429 C00009 Prolylhydroxyproline 229.1185 244.5 HMDB0006695 Isobutyrylcarnitine (Car(4:0)) 232.1543 155.5 HMDB0000736 LPC(18:2/0:0) 520.3395 117.9 HMDB0010386 C04100 Arachidonoylcarnitine (Car(20:4)) 448.342 84.7 HMDB0006455 Taurochenodeoxycholic acid 500.3044 45.4 HMDB0000951 C05465 Eplerenone 415.2118 17.5 4-Hydroxybenzaldehyde 123.0441 13.5 HMDB0011718 C00633 3-Methyl-1H-pyrazole-4-carbaldehyde 111.0554 7.3 6-Aminonicotinic acid 139.0502 172.3 Butyrylcarnitine (Car(4:0)) 232.1543 155.5 HMDB0002013 C02862 Carnosine 227.1141 244.1 HMDB0000033 C00386 5-Aminopentanoic acid 118.0862 224.3 HMDB0003355 C00431 Alanine 90.055 213.1 HMDB0000161 C00041 Acetylcarnitine (Car(2:0)) 204.123 181.4 HMDB0000201 C02571 3-Hydroxy-4-aminopyridine 111.0553 175.7 HMDB0060741 Tryptophan 205.097 158 HMDB0030396 C00078 3-Pyridylacetic acid 138.055 145.7 HMDB0001538 Hexanoylcarnitine (Car(6:0)) 260.1857 137 HMDB0000756 Riboflavin 377.1459 122.6 HMDB0000244 C00255 Palmitoyl sphingomyelin 703.5744 105.3 HMDB0061712 Car(18:1) 426.3577 88.7 HMDB0013337 Serine 106.0499 228.8 HMDB0000187 C00065 MeAIB 118.0863 184 HMDB0002141 S-Adenosylmethionine 399.1447 304.7 HMDB0001185 C00019 EDTA 293.098 248.6 HMDB0015109 C00284 Anserine 241.1298 241 HMDB0000194 C01262 Formiminoglutamic acid 175.0715 233.3 HMDB0000854 C00439 Valerylcarnitine 246.17 146.1 HMDB0013128 1-Methylpseudouridine 259.0923 78.7 Sph(d18:0) 302.3054 55.4 HMDB0000269 C00836 Telmisartan 497.2358 32.8 HMDB0015101 C07710 N6,N6,N6-Trimethyllysine 189.1598 297.4 HMDB0001325 C03793 gamma-Glutamylglutamic acid 277.1033 265.4 HMDB0011737 C05282 Decanoylcarnitine (Car(10:0)) 316.2479 114.6 HMDB0000651 C03299 2',4'-Dihydroxyacetophenone 135.044 30.1 HMDB0029659 C03663 PC(16:0/18:1(9Z)) 760.5824 19.4 HMDB0007972 C13875 N1-Methyl-4-pyridone-3-carboxamide 153.0658 33.3 HMDB0004194 C05843 Fructose 203.0527 169.4 HMDB0000660 C02336 Arginine 175.119 295.9 HMDB0000517 C00062 N,N-Dimethylarginine (ADMA) 203.1503 284.8 HMDB0001539 C03626 Arg-Ala 246.1563 242.5 HMDB0028702 3-Methylhistidine 170.0925 229.5 HMDB0000479 C01152 N-Acetylmannosamine 204.0868 145.1 HMDB0001129 C00645 Octanoylcarnitine (Car(8:0)) 288.2168 124.5 HMDB0000791 C02838 1-O-Hexadecyl-sn-glycero-3-phosphocholine (LPC(O-16:0/0:0)) 482.36 122.6 HMDB0243890 C13903 cis-4-Decenoylcarnitine 314.2323 116.6 HMDB0240585 Lauroylcarnitine 344.2793 108 HMDB0002250 Ligustrazine 137.1073 31.4 HMDB0036584 5-Methylcytidine 258.1086 140.8 HMDB0000982 Isovalerylcarnitine (Car(5:0)) 246.17 146.1 HMDB0000688 C20826 1-Palmitoyllysophosphatidate 393.2396 163.4 HMDB0007853 C04036 Threonine 120.0656 220.8 HMDB0000167 C00188 N1,N8-Diacetylspermidine 230.1861 195.7 HMDB0041947 Kynurenine 209.0919 160.1 HMDB0000684 C00328 Betaine aldehyde 102.0914 153 HMDB0001252 C00576 2',6'-Dihydroxyacetophenone 135.044 30.1 HMDB0029660 Aspartate 134.0449 247.1 HMDB0000191 C00049 Cytosine 112.0504 111.9 HMDB0000630 C00380 Galactose 203.0527 169.4 HMDB0000143 C00984 Butanoic acid 89.0597 27.3 HMDB0000039 C00246 Taurohyodeoxycholic acid 500.3044 45.4 HMDB0247202 LPG(18:1(9Z)) 511.3033 52.4 HMDB0240602 2-Aminonicotinic acid 121.0395 100.2 HMDB0061680 Cysteine-glutathione disulfide 427.0954 283.5 HMDB0250707 Palmitoylcarnitine (Car(16:0)) 400.3419 94.7 HMDB0000222 C02990 Allopurinol 137.0458 56 HMDB0014581 1-Methylguanine 166.0722 94 HMDB0003282 C04152 Nicotinate 124.0393 99.4 HMDB0001488 C00253 Dihydrothymine 129.0658 45.2 HMDB0000079 C00906 Fomepizole 83.0604 43 HMDB0015344 C07837 2-Methylguanosine 298.1142 103.4 HMDB0005862 Taurodeoxycholic acid 500.3044 45.4 HMDB0000896 C05463 Isonicotinic acid 124.0393 99.4 HMDB0060665 C07446 Miglitol 190.1073 193.5 HMDB0014634 C07708 Linoleamide 280.2635 29.4 HMDB0062656 PC(18:0/14:0) 734.5695 103.3 HMDB0008031 2-Methoxybenzoic-acid 135.044 30.1 HMDB0032604 Adenine 136.0618 127.9 HMDB0000034 C00147 Daminozide 143.0816 132.8 HMDB0250838 C10996 Car(18:0) 428.3734 28.1 HMDB0000848 2-Aminopurine 136.0619 9.6 HMDB0245025 Phosphorylcholine 184.0734 237 HMDB0001565 C00588 Caplamin 132.1019 189.7 HMDB0001901 C02378 2-oxindole-3-acetate 192.0654 160.3 HMDB0035514 C22202 PE(18:0/18:2) 744.5534 38.4 HMDB0008994 1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine 732.5528 38.3 HMDB0008097 5-Hydroxyindole-3-acetic acid 192.0654 160.3 HMDB0000763 C05635 Normetanephrine 166.0863 174.5 HMDB0000819 C05589 Peimine 414.3374 44.5 C10830 Isoverticine 414.3374 44.5 PC(14:0/16:0) 706.5364 39.5 HMDB0007869 Apocholic acid 373.2741 132.1 C15375 Flurandrenolide 437.2355 31.5 HMDB0014984 D00328 N-Methylglutamic acid 162.0763 239.4 HMDB0062660 C01046 PC(18:0/18:1(9Z)) 788.6104 36.1 HMDB0008038 Xanthurenic acid 206.0457 63.1 HMDB0000881 C02470 1,3-Dimethyluric acid 197.0645 52.3 HMDB0001857 2-(2,6-Dimethylmorpholin-4-yl)ethanol 160.1332 225 2-(Diethylamino)acetic acid 132.1019 224.2 2-Aminopyridine 95.0604 217.6 HMDB0245026 Betonicine 160.0968 174.2 HMDB0029412 C08269 6-Acetylcodeine 342.17 158 3-Piperidin-4-ylpropanoic acid 158.1176 154.4 Ricinine 165.0659 153 HMDB0042006 C01526 3-Aminobutanoic acid 104.0706 125.2 HMDB0031654 Tetraethylammonium cation 130.159 124.5 Glycerophospho-N-palmitoylethanolamine 454.2927 123.1 1-Docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphocholine 834.6009 67.8 HMDB0008727 4-Phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one 162.0662 67.6 3-Aminoquinoline 145.076 56.3 3-Amino-2-oxazolidinone 103.0502 52.1 HMDB0060739 1-O-Hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine 524.3711 48.8 HMDB0062195 2-Cyano-L-phenylalanine 191.0815 46.1 6-Methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one 149.0709 45.1 Tetradecylamine 214.2529 44.7 HMDB0258887 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine 758.5695 37.5 HMDB0007973 Dodemorph 282.2791 29.2 Nootkatone 219.1743 24.1 N-Methylglycine N,N-dimethylamide 117.1022 23.4 Gabapentin 172.1332 22.1 HMDB0005015 PC(18:0) 520.3397 173 LPI(18:2) 597.3035 154.8 PC(42:5) 846.6373 32.1 SM(d34:1) 703.5751 28.1 PC(34:3) 756.5532 18.9 HMDB0007881 2-Piperazinecarboxamide 130.0975 295.4 5-Methylisoxazol-3-amine 99.0553 210.5 2-Ethylpyrazine 109.0759 195 HMDB0031849 N-Nitrosopyrrolidine 101.071 173.9 HMDB0031642 C19285 Isopongaflavone 335.1277 158.2 2-Methylbenzamide oxime 151.0867 147 HMDB0341238 8-Methylquinolin-2(1H)-one 160.0758 141.7 1H-Pyrazolo[3,4-b]pyridine 120.0557 139.5 2-(4-(Methylamino)phenyl)benzo[d]thiazol-6-ol 257.0744 130.4 HMDB0244929 6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine 135.0918 129.5 HMDB0037148 1-Isobutyl-1H-pyrazol-5-ylamine 140.1182 127.2 7-Hydroxy-2-acetylaminofluorene 240.1018 125.8 4-(2-Methyl-1H-imidazol-1-yl)aniline 174.1025 124.6 Triphenylphosphine oxide 279.0931 124.6 1,4-Dibutyl benzene-1,4-dicarboxylate 279.159 124.6 4-Piperidinecarboxamide 129.1022 124.5 4-Amino-6-methoxy-3-quinolinecarboxylic acid 219.0764 123.9 4-(4-Piperidinyl)morpholine 171.1491 123.8 2-(4-Oxo-4H-quinazolin-3-yl)-propanoic acid 219.0762 110 N-Methyl-L-proline 130.0862 45.1 HMDB0242151 1-Hexadecylamine 242.2842 42.2 HMDB0243891 1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine 806.569 34.7 HMDB0007991 1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine 766.5739 33.5 HMDB0039528 1-(1Z-Octadecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine 794.6053 33.4 HMDB0011253 1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 818.6054 32.8 HMDB0011262 1-Dodecyl-2-pyrrolidinone 254.2478 30.3 3-tert-Butyl-5-isoxazolylamine 141.1023 25.4 5-Amino-1-methyl-2-piperidinone 129.1023 24.9 6-endo-Hydroxycineole 171.138 24 HMDB0059610 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine 740.5221 23.9 HMDB0009093 2-Docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 764.5228 19.5 HMDB0008946 1-Octadecylamine 270.3154 40.7 HMDB0029586 Lauric diethanolamide 288.2534 248.3 HMDB0032358 Epinephrine 166.0861 195 HMDB0062515 D00095 LPI(20:4) 621.3035 152.6 HMDB0061690 LPE(P-16:0) 438.2979 114 HMDB0011152 Sph(d18:2) 298.274 29.5 HMDB0242112 PC(37:4) 796.5845 18.8 Tetradecenedioylcarnitine (Car(14:1-O2)) 400.2695 137.7 HMDB0241367 PC(40:7) 832.5842 64.9 1,3-Dimethylbarbituric acid 157.0609 249.8 3-{[4-(Trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one 256.0944 214.5 N-Methyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]amine 143.1179 173.9 7H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,7-diamine 140.0681 168.9 2-Amino-6-(methylsulfanyl)-3,5-pyridinedicarbonitrile 191.0388 168.9 Piperazine-2-carboxylic acid 131.0815 135.2 3,3-Dimethylpyrrolidin-2-one 114.0912 108.7 1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine 608.4646 108 HMDB0010405 C04230 N-Oleoyl-D-erythro-sphingosylphosphorylcholine 729.5898 103.3 HMDB0012101 Cafestol 317.2108 98.4 N-Methyltrimethylacetamide 116.1069 93.4 2-(5-Oxovaleryl)phosphatidylcholine 594.3758 89.5 4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine 184.0638 63.1 (3-Methylbutyl)(6-methylheptan-2-yl)amine 200.2372 43.8 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine 730.5373 38.7 HMDB0008002 C00157 1-O-Hexadecyl-2-O-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine 792.5893 33.4 HMDB0013409 Dimethylethanolamine 90.0913 22.7 HMDB0032231 C04308 L-Menthone_1,2-glycerol_ketal 298.101 250.1 HMDB0036139 Phenylethylmalonamide 207.1129 139 HMDB0245113 C07499 Nadolol 310.2009 123.9 HMDB0015334 Hexadecenedioylcarnitine (Car(16:1-O2)) 428.3007 171.3 LPI(18:0) 601.3351 153 HMDB0240261 LPC(22:6) 550.3297 108 Eicoseneoylcarnitine (Car(20:1)) 454.389 80.1 PC(42:10) 854.5685 32.8 Oxohexadecadienoylcarnitine (Car(16:3-O)) 410.2897 106.7 Oxononanoylcarnitine (Car(9:1-O)) 316.212 143.3 4-Amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol 173.0858 359.5 [4-(3,4-Dichlorophenyl)-5-(4-pyridyl)thiazol-2-yl]amine 321.9973 205.1 Pro-Thr 217.1181 171.8 4-(4-Chlorophenyl)-6-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile 323.0399 168.6 Zolpidem phenyl-4-carboxylic acid 338.1495 161.3 HMDB0341409 1,3-Oxazinan-2-imine 101.0709 126.6 1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine 580.4333 110.6 HMDB0010398 C04230 3-Dodecyloxypropylamine 244.2634 31.4 L-Homoserine lactone 102.0549 25.4 Norharmane 169.076 23.5 HMDB0012897 C20157 3-Ureidoisobutyric acid 147.0766 312.4 HMDB0304156 C05100 PC(22:2) 572.3703 113.3 o-Hydroxybenzylamine 106.0651 22.8 Hemin cation 616.1773 314.7 Statine 176.128 207.1 (Diethylamino)(oxo)acetic acid 146.0812 195 N5-(1-Iminoethyl)-L-ornithine 174.1237 187 5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-amine 210.05 156.2 2-(4-Amino-1-piperidinyl)acetamide 158.1288 127.9 Homoarecoline 170.1174 123.2 HMDB0038321 2-(2',3',4'-Trihydroxybutyl)quinoxaline 235.1077 62.8 6-Benzylaminouracil 218.0923 45.4 Benzyldimethyltetradecylammonium cation 332.331 34.6 Tetramethylthiourea 133.0796 12.9 Benzoylcarnitine (Car(7:4)) 266.1387 148.4 HMDB0240664 PC(37:6) 792.5523 36.1 Oxodecanoylcarnitine (Car(10:1-O)) 330.2276 135.4 Lys-Leu 260.1969 295.1 HMDB0028955 5-Nitro-N-(3-pyridinylmethyl)-2-furamide 248.0659 227 Prolyl-Tyrosine 279.1339 127.9 HMDB0029029 L-Serine methyl ester 120.0655 61.4 N-Methyl-D-aspartic acid 148.0604 46.1 HMDB0002393 C12269 Palmitoyleicosapentaenoyl phosphatidylcholine 780.5517 36.8 Decamethylcyclopentasiloxane 371.1014 16.2 Oxodecenoylcarnitine (Car(10:2-O)) 328.2122 139.1 HMDB0241110 Tridecenoylcarnitine (Car(13:1)) 356.2794 106 HMDB0241313 Tetradecenoylcarnitine (Car(14:1)) 370.2948 102.7 HMDB0013329 Palmitoleylcarnitine (Car(16:1)) 398.3262 95.5 HMDB0006317 Nonadecanoylcarnitine (Car(19:0)) 442.3887 83.1 HMDB0241562 3,3-Dimethylcyclohexanone 109.1011 22.2 L-NG-Monomethylarginine 189.1347 292.2 HMDB0029416 C03884 2-(Naphthalen-1-yl)-1H-1,3-benzodiazole 245.1065 195.9 4-Chloro-2-methyl-5-(4-morpholinyl)-3(2H)-pyridazinone 230.0699 163.5 3(2H)-Pyridazinone, 4-chloro-5-(4-morpholinyl)- 216.0541 159.8 2-Dodecylbenzenesulfonic_acid 327.2001 123.9 HMDB0031031 Ethephon 144.9821 110.6 HMDB0252014 C18399 Hymexazole 100.0393 49 2-Amino-6-ethyl-4(3H)-pyrimidinone 140.0818 45.3 2-Ethylbutan-1-amine 102.1277 27.3 Adenosine dialdehyde 248.0769 256.6 HMDB0248007 Decenedioylcarnitine (Car(10:1-O2)) 344.2067 210.5 HMDB0241084 Heptanoylcarnitine (Car(7:0)) 274.2013 130.7 HMDB0013238 Oxopalmitoleylcarnitine (Car(16:2-O)) 394.2949 98.1 Hexenoylcarnitine (Car(6:1)) 258.17 142.4 HMDB0013161 Arg-Pro 272.1719 259.7 HMDB0028717 Pro-Pro 213.1236 240.4 HMDB0011180 6-(Chloromethyl)-N2-(2-naphthyl)-1,3,5-triazine-2,4-diamine 286.0866 185.5 3,5,9-Trioxa-4-phosphatetracosan-1-aminium, 7-(acetyloxy)-24-carboxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- 554.3448 167.3 Ethanol, 2-[[3-(2,3-dichlorophenoxy)propyl]amino]- 264.0542 155.9 CYCLOPENTANONE 102.0913 131.8 HMDB0031407 C00557 7-Amino-4-methylquinolin-2-ol 175.0865 45.4 Varenicline 212.1181 41.9 Ouabain 585.2883 40 HMDB0015224 C01443 LPC(18:1) 522.356 153.5 HMDB0002815 C03916 LPC(O-20:0) 538.4241 116.6 Lys-Ala 218.1499 289.1 HMDB0028944 Val-Gly 175.1085 233.3 HMDB0029127 7-Keto-8-aminopelargonic acid 188.1281 179.4 HMDB0240687 C01092 Carbidopa 227.1026 173.8 HMDB0014336 LysoPC(0:0/18:0) 546.3537 138.4 HMDB0011128 Oxotridecenoylcarnitine (Car(13:2-O)) 370.259 122.5 HMDB0241325 LPC(O-22:1) 564.4398 115.3 Nonenoylcarnitine (Car(9:1)) 300.2166 123.2 HMDB0241744 Moxonidine 242.079 236.9 HMDB0041938 C07451 Dihydroxyacetone_Phosphate_Acyl_Ester 199.001 112 HMDB0011750 C03372 [(7-Oxo-7H-benzo[de]anthracen-3-yl)sulfanyl]acetic acid 321.0596 58.4 (4-Oxo-1,2,3-benzotriazin-3(4H)-yl)acetic acid 206.0554 278 (2R)-3-Hydroxyisovaleroylcarnitine 262.165 190.3 HMDB0061189 Diisopropyl_sulfide 119.0896 179.6 HMDB0029579 3-Hydroxyoleylcarnitine 442.3514 119.9 1-(Cyclohexylmethyl)proline 212.1645 52.4 Cyanazine 241.0948 216.7 HMDB0250604 C14299 Oxopalmitoylcarnitine (Car(16:1-O)) 396.3106 98.2 3-Amino-1,1,1-trifluoro-2-butanol 144.0621 272.5 4-[4-(Trifluoromethoxy)phenoxy]piperidine 262.1034 250 1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phosphocholine 550.3864 113.3 1-Palmitoyl-2-thiopalmitoyl phosphatidylcholine 750.5415 35 Fagomine 148.0969 176.6 HMDB0033453 C10144 2-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)aniline 259.14 280.7 Valdecoxib 315.0791 255.2 HMDB0005033 3-Methyl-.gamma.-butyrolactone 101.0597 224.8 HMDB0035143 Crotonic acid 87.0441 218.3 HMDB0010720 C01771 Myriocin 402.285 178.8 Heptadecanoyl_carnitine 414.3577 90.8 HMDB0006210 Damnacanthal 283.0623 195.8 HMDB0250841 Emetamine 477.2751 147.6 Polyoxyethylene_(600)_mono-_ricinoleate 341.3042 114 HMDB0032476 Etofylline 225.0999 225.9 HMDB0252111 PC(31:0) 702.5377 357.9 Cyclocytidine 226.0839 226 Ethyl 5-(2-chloroacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate 244.075 219.8 1-(3,4-Dichlorophenyl)pyrrolidine 216.033 204.5 PC(18:1(9Z)/P-18:0) 772.6214 34.7 HMDB0008127 Lys-Val 246.1812 299.4 HMDB0028964 Haplamine 258.1102 275.3 N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 536.5041 16.8 HMDB0035480 Ophthalmic acid 290.1352 234.1 HMDB0005765 PC(P-32:0) 718.5809 30.7 HMDB0011206 2-Amino-7-phenyl-7,8-dihydro-5(6H)-quinazolinone 240.1109 293.7 Acetophenazine 412.2093 148.9 HMDB0015196 C06807 Calcipotriol 395.2982 98.1 HMDB0015567 Isopropalin 310.1763 247.9 Argininic_acid 176.103 231.4 HMDB0003148 Nobiletin 403.1346 225.7 HMDB0029540 C10112 [4-Amino-2-(ethylamino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone 282.0487 136.5 6,7-dimethoxy-2,2-dimethyl-2h-1-benzopyran 243.0975 67.1 HMDB0256742 C09018 Lotaustralin 262.1286 233.2 3-(Aminocarbonyl)benzoic acid 166.0512 178.1 Ethyl 2-(allylamino)-4-methyl-1,3-thiazole-5-carboxylate 227.0863 161.4 9Z,11E,13E-Octadecatrienoic acid 279.2316 100.1 DG(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)/0:0) 615.498 16.2 HMDB0007333 5,6,7,8-Tetrahydrothieno[2,3-b]quinolin-4-amine 205.0818 247.8 Val-Gln 246.1451 242.2 3-Chloro-4-fluoro-5-trifluoromethylaniline 214.0064 233.6 Carbadox 263.0767 216.8 HMDB0031762 (2R)-2-(2,5-Difluorophenyl)pyrrolidine 184.0943 207.1 N-Acetyl-D-galactosaminitol 224.1131 146.5 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) 816.5897 32.8 HMDB0008753 Furcelleran 478.1972 31.1 HMDB0037510 Diuron-desdimethyl 204.9953 173 HMDB0243790 taspine 392.1055 169.4 HMDB0258734 LPC(19:0) 520.3794 111 2-Chloro-4-(dimethylamino)-5-fluoropyrimidine 176.0405 204.5 3,4-Thiophenedicarbonitrile 135.0027 199.2 Benztropine 308.1971 191.2 HMDB0014390 C06846 2-(3-Pyridinyl)-1H-indole-3-carbaldehyde 223.084 164.5 1-Phenylpyrrolidine 148.1139 159.7 Ethyl 2-amino-4-phenylthiophene-3-carboxylate 248.0768 155.7 4-Amino-N-(2-fluorophenyl)benzenesulfonamide 267.0588 136.9 Arachidyl_carnitine 456.4047 78.1 HMDB0006460 4,4,6-Trimethyl-1-(4-methylphenyl)-1,4-dihydro-2-pyrimidinethiol 247.129 251.7 4-Chloro-N-(5-fluoro-2-methylphenyl)benzamide 264.0609 237 5-(2-methoxyethylamino)-3H-1,3,4-thiadiazole-2-thione 192.0244 233.4 4-(1,3-Dithiolan-2-yl)aniline 198.0383 233.3 3',4',6-Trihydroxy-3,5,7-trimethoxyflavone 361.0874 225.6 Pro-Leu 229.1547 216.4 Tanshinone I 277.0894 170.2 HMDB0258714 1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide 393.2249 55.3 8-Isobutanoylneosolaniol 453.2096 32.2 HMDB0038561 trans-Zeatin 220.1178 159.6 HMDB0012204 C00371 6-Hydrazino-3-pyridazinecarboxamide 154.0744 233.4 2-(3-Bromophenyl)-1H-benzimidazole 273.0057 175 4-[5-(Benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline 297.1207 171.9 Falimint 239.1002 167.9 HMDB0040988 3-Quinolinecarbaldehyde 158.06 44 2,5-Dimethyl-3,4-diphenyl-2,4-cyclopentadien-1-one 261.1308 28.4 Methanone, [1-(5-fluoropentyl)-6-nitro-1H-indol-3-yl]-1-naphthalenyl- 405.1557 23.5 Methocarbamol 242.0996 159.7 HMDB0014567 Desisopropyldisopyramide 298.1874 306.7 HMDB0061024 2-Chloro-6-fluoroquinoline-3-carbonitrile 207.0141 222.7 5-(4-Methylpiperazin-1-yl)-5-oxopentanoic acid 215.139 216.7 (24R)-5b,8b-Epidioxyergosta-6,22E-dien-3b-ol_3-glucoside 591.3868 182.6 HMDB0037956 Maslinic_acid_3-O-b-D-glucoside 635.4133 182.2 HMDB0029606 Luotonin F 302.0881 99.7 Fluticasone_propionate 501.1988 175.6 HMDB0005036 (3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al_14-xyloside 495.2966 146.7 HMDB0034617 Butalbital 225.1235 249.1 HMDB0014386 Heptanedioic acid, 1-(2-cyclopentylidenehydrazide) 241.1546 180.9 16-Oxokahweol 283.1725 108 PC(15:0/22:4(7Z,10Z,13Z,16Z)) 796.5841 34.8 HMDB0007955 Undecenedioylcarnitine (Car(11:1-O2)) 358.2278 41 HMDB0241174 PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z)) 808.5829 66.7 HMDB0008338 DL-Homocysteine thiolactone 118.0321 125.9 HMDB0002287 1H-Pyrrole-2,5-dione, 1-[6-[[(17.beta.)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]- 465.3179 112 2-Bromoacetophenone 198.9741 157.8 PC(P-18:1(9Z)/0:0) 506.3606 121.7 HMDB0010408 C04230 3-Hydroxy-2-iodo-4-methoxybenzaldehyde 278.9517 182.2 3-(2,6-Dimethyl-4-morpholinyl)-N-phenylpropanamide 263.1755 146.2 .delta.-Tocotrienol 397.3141 98.4 HMDB0030008 C14156 PC(15:0/20:1(11Z)) 774.5974 36.8 HMDB0007945 2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 302.0847 170.3 Drostanolone propionate 361.2737 148.3 Carbamic acid, [(3,4-dichlorophenyl)methyl]-, (1S)-2,3-dihydro-1H-inden-1-yl ester 336.053 74.2 8,11-Tridecadienoic acid, 13-(3-pentyl-2-oxiranyl)-, methyl ester, (8Z,11Z)- 337.2738 46.4 N-Acetylsulfamethoxazole 296.0659 225.5 HMDB0013854 C13061 Donhexocin 615.487 24 HMDB0033087 4,5-Dihydro-2-methylthiazole 102.0373 177.7 HMDB0029555 PC(15:0/P-18:1(11Z)) 730.5749 38.8 HMDB0007963 Quinidine 325.2485 24.7 HMDB0015044 C06527 LysoPC(22:1(13Z)) 578.4168 111.3 HMDB0010399 C04230 Heptadecasphinganine 288.2897 25.4 PC(18:3(6Z,9Z,12Z)/18:0) 784.585 103.4 HMDB0008168 PC(18:2(9Z,12Z)/P-16:0) 742.5743 35.8 HMDB0008159 PC(16:0/16:1(9Z)) 732.5531 18.9 HMDB0007969 Ala-Val 189.1233 218.4 HMDB0028700 O-t-Butyl-L-threonine methyl ester 190.1438 214.7 2-(2-Methoxyethoxy)ethanamine 120.1019 187 Phosphonic acid, P-[[4-[(1-oxotetradecyl)amino]phenyl]methyl]- 398.2399 8.8 HMDB0246585 Glycyl-Lysine 204.1344 254.1 HMDB0028846 SM(d18:1/20:0) 759.6377 249 HMDB0012102 C00550 PC(20:5(5Z,8Z,11Z,14Z,17Z)/15:0) 766.538 45.4 HMDB0008494 Benzeneacetamide, 4-(4,9-diethoxy-1,3-dihydro-1-oxo-2H-benz[f]isoindol-2-yl)-N-(phenylsulfonyl)- 545.1803 225.2 2,2'-(2-Hydroxyethylazanediyl)diacetic acid 178.071 45.4 6.beta.-Naltrexol 344.1891 31.3 Ricinoleic acid methyl ester 313.2737 16.2 LysoPC(18:3(6Z,9Z,12Z)) 518.3219 119.2 HMDB0010387 C04230 Aminofructose_6-phosphate 260.0531 143.2 HMDB0060436 C12214 Persicachrome 385.2747 112 HMDB0036425 Cyclohexyl(phenyl)[3-(piperidin-1-yl)propyl]silanol 332.2432 138.3 PC(18:1(11Z)/15:0) 746.5681 38.1 HMDB0008066 C00157 LysoPC(24:1(15Z)) 606.4487 109.3 HMDB0010406 C04230 PC(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) 808.5836 82.7 HMDB0008402 SM(d18:1/22:0) 787.6676 82.1 HMDB0012103 SM(d16:1/24:1(15Z)) 785.6535 28.1 Amobarbital 227.1389 190.2 HMDB0015440 C07536 PC(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)) 804.5518 35.2 HMDB0008244 PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 804.552 19.4 HMDB0008023 Mangiferdesmethylursanone 429.3729 16.2 HMDB0036018 N-Arachidonoyl-L-serine 392.2788 103.3 SM(d17:1/24:1(15Z)) 799.6681 96.8 SM(d18:0/16:0) 705.59 95.9 CRUSTECDYSONE 503.297 112.6 HMDB0030180 LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)) 570.3521 105.3 HMDB0010403 C04230 SM(d18:0/18:0) 733.6204 91.9 HMDB0012087 C00550 Terfenadine 472.3273 177.1 HMDB0014486 C07463 2-{[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl}-6-methyl-4(3H)-pyrimidinone 293.0633 171.5 arborinine 286.1056 190.3 HMDB0030177 C10643 (3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol 445.3678 16.1 HMDB0033633 Gln-Gln 275.1352 245.5 Succinamide 117.0659 215.9 HMDB0258539 5-(2-Aminoethyl)-1H-imidazol-2-amine 127.0979 171.2 Umbelliferyl arachidonate 449.267 56.1 Beclomethasone 409.1833 31.4 2-(5-Chloro-1,3-benzothiazol-2-yl)ethanamine 213.0223 222.2 Tyr-Val 281.1496 215.2 Cohibin_D 577.5182 16.2 HMDB0031169 Propanoic acid, 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methyl- 503.3299 111.3 HMDB0252992 C15622 PE(18:3(9Z,12Z,15Z)/P-18:1(9Z)) 724.5263 35.9 HMDB0009182 Ferulic acid 4-O-glucuronide 355.0701 15.7 HMDB0041733 [3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 523.0484 173.3 HMDB0039179 PC(18:3(6Z,9Z,12Z)/15:0) 742.5339 104.7 HMDB0008165 Trichodermamide C 447.1383 178 26,27-Dinorcholest-5-en-24-yne-3,20-diol, (3.beta.)- 371.2982 102.7 3-Hydroxystigmast-5-en-7-one 429.377 87 HMDB0034422 (4E,10E)-13,21-Dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl carbamate 579.2929 154.8 5-Bromo-4-isopentylpyrimidine 229.0334 54.7 6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone 571.35 114.6 Acetildenafil 467.2772 55.5 HMDB0247908 Trabectedin 762.2711 225.4 HMDB0015609 S-Formylglutathione 336.0875 225.4 HMDB0001550 C01031 2-(2-Naphthyl)-1,3-benzoxazol-5-amine 261.1015 219.8 2-Acetylthiazole 128.0176 173.2 HMDB0032964 (22E,24R)-Stigmasta-4,22-diene-3,6-dione 425.3453 92.2 HMDB0038656 1H-Indazole-4-carboxamide, N-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]- 542.3214 117.3 HMDB0252956 5-Pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-N-[(tetrahydro-2H-pyran-4-yl)methyl]-4-(trifluoromethyl)- 449.0776 283.7 Tandutinib 563.3363 152.7 HMDB0258709 PODOFILOX 415.1352 275.4 HMDB0015310 C10874 Reserpine 609.2783 258.8 HMDB0014351 C06539 2-(S-Glutathionyl)acetyl_chloride 384.0654 225.6 HMDB0060342 C14865 Glabrone 359.0917 222.5 HMDB0029533 1,7-Dioxa-4,10-diazacyclododecane 175.1433 305.6 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine 836.5376 121.2 HMDB0010167 C02737 TOPIRAMATE 362.0836 225.5 HMDB0005034 C07502 Mesotrione 340.047 74.3 HMDB0254481 3-Demethylubiquinone-9 781.6219 71.3 HMDB0060370 C03226 MLS002638110-01!PREDNISOLONE50-24-8 361.2051 223 HMDB0246907 N-Demethylmifepristone 416.2606 163.6 N-Arachidonoyldopamine 440.3135 125.6 Deschloronornidulin 395.0472 100.1 Didemethylmifepristone 402.2486 26.9 9,10,11,12-Tetrahydro-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-1,3(2H)-dione 394.1143 164.8 1-Hydroxy Vitamin D2 413.3375 48.7 Gentamicin 478.328 119.2 HMDB0014936 12'-Apo-b-carotene-3,12'-diol 369.2829 104 HMDB0036054 12'-Apozeaxanthin 366.2633 107.4 HMDB0302023 Dye X-5380-110B 299.0575 219.9 Mintsulfide 237.1696 21.5 HMDB0038151 Isodesmosine 526.2922 118.6 HMDB0000739 Lysionotin 345.0869 155.7 HMDB0255572 C10111 1-(2,4-Dinitroanilino)-1H-pyrrole-2,5-dione 279.0388 169 Serine-Cholic Acid 460.3115 31.4 HMDB0242388 Pyridine, 2,2',2'',2'''-[ethylenebis(nitrilodimethylene)]tetra- 425.2396 229.6 Piericidin C1 432.2802 31.5 Met-Thr 251.1025 125.2 Miltirone 305.1456 250.6 HMDB0035080 C13715 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 633.1513 16.1 HMDB0037534 7-Hydroxy-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one 307.0622 168.6 Docos-13-enoylcarnitine 482.4223 71 2-Hydroxymyristoylcarnitine 388.306 125.9 Nervonyl carnitine [M] 510.452 67 1-Stearoylglycerophosphoserine 526.3142 174.7 Eicosadienoylcarnitine 452.3732 84.9 1,1-Dimethylurea 89.071 168.2 Glycine 76.0393 219.3 HMDB0000123 C00037 N,N'-Dimethylurea 89.071 152.9 4-Guanidinobutanamide 145.1085 218.4 Na,Na-Dimethylhistamine 140.1181 101.1 IS6 127.0804 28.1 IS4 110.1083 218.4 IS5 85.1321 195 METABOLITES_END #END