#METABOLOMICS WORKBENCH JJacobs_20210901_120556_mwtab.txt DATATRACK_ID:2820 STUDY_ID:ST001940 ANALYSIS_ID:AN003155 PROJECT_ID:PR001228
VERSION 1
CREATED_ON September 1, 2021, 2:55 pm
#PROJECT
PR:PROJECT_TITLE Cognitive Behavioral Therapy for Irritable Bowel Syndrome Induces Bidirectional
PR:PROJECT_TITLE Alterations in the Brain-Gut-Microbiome Axis Associated with Gastrointestinal
PR:PROJECT_TITLE Symptom Improvement
PR:PROJECT_SUMMARY There is growing recognition that bidirectional signaling between the digestive
PR:PROJECT_SUMMARY tract and the brain contributes to irritable bowel syndrome (IBS). We recently
PR:PROJECT_SUMMARY showed in a large randomized controlled trial that cognitive behavioral therapy
PR:PROJECT_SUMMARY (CBT) reduces IBS symptom severity. This study investigated whether baseline
PR:PROJECT_SUMMARY brain and gut microbiome parameters predict CBT response and whether response is
PR:PROJECT_SUMMARY associated with changes in the brain-gut-microbiome (BGM) axis.
PR:INSTITUTE University of California, Los Angeles
PR:DEPARTMENT Division of Digestive Diseases
PR:LABORATORY Jacobs Laboratory
PR:LAST_NAME Jacobs
PR:FIRST_NAME Jonathan
PR:ADDRESS 10833 Le Conte Ave., Los Angeles, CA 90095
PR:EMAIL JJacobs@mednet.ucla.edu
PR:PHONE 310-825-9333
#STUDY
ST:STUDY_TITLE Cognitive Behavioral Therapy for Irritable Bowel Syndrome Induces Bidirectional
ST:STUDY_TITLE Alterations in the Brain-Gut-Microbiome Axis Associated with Gastrointestinal
ST:STUDY_TITLE Symptom Improvement
ST:STUDY_SUMMARY 34 Rome III-diagnosed IBS patients receiving CBT were drawn from the Irritable
ST:STUDY_SUMMARY Bowel Syndrome Outcome Study (IBSOS; ClinicalTrials.gov NCT00738920). Fecal
ST:STUDY_SUMMARY samples were collected at baseline and post-treatment for 16S rRNA gene
ST:STUDY_SUMMARY sequencing, untargeted metabolomics, and measurement of short chain fatty acids.
ST:STUDY_SUMMARY Multimodal neuroimaging was performed at baseline and post-treatment.
ST:INSTITUTE University of California, Los Angeles
ST:DEPARTMENT Division of Digestive Diseases
ST:LABORATORY Jacobs Laboratory
ST:LAST_NAME Jacobs
ST:FIRST_NAME Jonathan
ST:ADDRESS 10833 Le Conte Ave, Los Angeles, CA 90095
ST:EMAIL JJacobs@mednet.ucla.edu
ST:PHONE 310-825-9333
ST:TOTAL_SUBJECTS 34
ST:NUM_MALES 6
ST:NUM_FEMALES 28
#SUBJECT
SU:SUBJECT_TYPE Human
SU:SUBJECT_SPECIES Homo sapiens
SU:TAXONOMY_ID 9606
SU:AGE_OR_AGE_RANGE 20-70
SU:GENDER Male and female
#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 1551 BuffaloU.1551f.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=58; BMI=25.4; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1551 BuffaloU.1551f.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=58; BMI=25.4; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1552 BuffaloU.1552d.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=53; BMI=39.9; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1552 BuffaloU.1552d.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=53; BMI=39.93; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1557 BuffaloU.1557e.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=43; BMI=28.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1557 BuffaloU.1557e.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=43; BMI=28.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1558 BuffaloU.1558c.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=20; BMI=20.2; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1558 BuffaloU.1558c.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=20; BMI=20.2; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1559 BuffaloU.1559a.wk0 Gender:Male | Timepoint:Baseline | CBT_Responder:Yes Age=67; BMI=25.1; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1559 BuffaloU.1559a.wk12 Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes Age=67; BMI=25.1; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1568 BuffaloU.1568b.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=21; BMI=24.9; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1568 BuffaloU.1568b.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=21; BMI=24.9; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1569 BuffaloU.1569l.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=25; BMI=27.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1569 BuffaloU.1569l.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=25; BMI=27.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1573 BuffaloU.1573l.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=55; BMI=35.6; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1573 BuffaloU.1573l.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=55; BMI=35.6; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1575 BuffaloU.1575h.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=26; BMI=21.5; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1575 BuffaloU.1575h.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=26; BMI=21.5; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1583 BuffaloU.1583k.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=34; BMI=28.2; Race_Ethnicity=Black-Not_Hispanic
SUBJECT_SAMPLE_FACTORS 1583 BuffaloU.1583k.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=34; BMI=28.2; Race_Ethnicity=Black-Not_Hispanic
SUBJECT_SAMPLE_FACTORS 1585 BuffaloU.1585g.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=68; BMI=33.5; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1585 BuffaloU.1585g.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=68; BMI=33.5; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1587 BuffaloU.1587b.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=51; BMI=27.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1587 BuffaloU.1587b.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=51; BMI=27.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1594 BuffaloU.1594h.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=52; BMI=29; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1594 BuffaloU.1594h.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=52; BMI=29; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1597 BuffaloU.1597a.wk0 Gender:Male | Timepoint:Baseline | CBT_Responder:Yes Age=33; BMI=25; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1597 BuffaloU.1597a.wk12 Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes Age=26; BMI=25; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1599 BuffaloU.1599i.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=54; BMI=29.1; Race_Ethnicity=Black-Not_Hispanic
SUBJECT_SAMPLE_FACTORS 1599 BuffaloU.1599i.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=54; BMI=29.1; Race_Ethnicity=Black-Not_Hispanic
SUBJECT_SAMPLE_FACTORS 1602 BuffaloU.1602f.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=47; BMI=38.3; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1602 BuffaloU.1602f.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=47; BMI=38.3; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1604 BuffaloU.1604b.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=47; BMI=37.6; Race_Ethnicity=Black-Not_Hispanic
SUBJECT_SAMPLE_FACTORS 1604 BuffaloU.1604b.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=47; BMI=37.6; Race_Ethnicity=Black-Not_Hispanic
SUBJECT_SAMPLE_FACTORS 1607 BuffaloU.1607g.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=47; BMI=29.3; Race_Ethnicity=Hispanic
SUBJECT_SAMPLE_FACTORS 1607 BuffaloU.1607g.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=47; BMI=29.3; Race_Ethnicity=Hispanic
SUBJECT_SAMPLE_FACTORS 1609 BuffaloU.1609c.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=70; BMI=35.7; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1609 BuffaloU.1609c.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=70; BMI=35.7; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1610 BuffaloU.1610i.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=51; BMI=23.2; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1610 BuffaloU.1610i.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=51; BMI=23.2; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1615 BuffaloU.1615k.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=46; BMI=35.9; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1615 BuffaloU.1615k.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=46; BMI=35.9; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1616 BuffaloU.1616h.wk0 Gender:Male | Timepoint:Baseline | CBT_Responder:No Age=55; BMI=30.2; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1616 BuffaloU.1616h.wk12 Gender:Male | Timepoint:Post_CBT | CBT_Responder:No Age=55; BMI=30.2; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1617 BuffaloU.1617f.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=26; BMI=16.7; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1617 BuffaloU.1617f.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=26; BMI=16.7; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1618 BuffaloU.1618d.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=43; BMI=25.7; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1618 BuffaloU.1618d.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=43; BMI=25.7; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1624 BuffaloU.1624l.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=40; BMI=29.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1624 BuffaloU.1624l.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=40; BMI=29.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1625 BuffaloU.1625j.wk0 Gender:Male | Timepoint:Baseline | CBT_Responder:Yes Age=37; BMI=23.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1625 BuffaloU.1625j.wk12 Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes Age=37; BMI=23.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1628 BuffaloU.1628c.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=46; BMI=17.7; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1628 BuffaloU.1628c.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=46; BMI=17.7; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1630 BuffaloU.1630g.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=47; BMI=23.3; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1630 BuffaloU.1630g.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=47; BMI=23.3; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1631 BuffaloU.1631e.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=22; BMI=32.9; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1631 BuffaloU.1631e.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=22; BMI=32.9; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1633 BuffaloU.1633a.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=41; BMI=42.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1633 BuffaloU.1633a.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=41; BMI=42.8; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1634 BuffaloU.1634k.wk0 Gender:Male | Timepoint:Baseline | CBT_Responder:Yes Age=51; BMI=27.1; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1634 BuffaloU.1634k.wk12 Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes Age=51; BMI=27.1; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1635 BuffaloU.1635i.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Age=41; BMI=25.1; Race_Ethnicity=White-Hispanic
SUBJECT_SAMPLE_FACTORS 1635 BuffaloU.1635i.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Age=41; BMI=25.1; Race_Ethnicity=White-Hispanic
SUBJECT_SAMPLE_FACTORS 1636 BuffaloU.1636f.wk0 Gender:Female | Timepoint:Baseline | CBT_Responder:No Age=69; BMI=18.6; Race_Ethnicity=Black-Not_Hispanic
SUBJECT_SAMPLE_FACTORS 1636 BuffaloU.1636f.wk12 Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Age=69; BMI=18.6; Race_Ethnicity=Black-Not_Hispanic
SUBJECT_SAMPLE_FACTORS 1638 BuffaloU.1638b.wk0 Gender:Male | Timepoint:Baseline | CBT_Responder:No Age=51; BMI=21.9; Race_Ethnicity=White-Not_hispanic
SUBJECT_SAMPLE_FACTORS 1638 BuffaloU.1638b.wk12 Gender:Male | Timepoint:Post_CBT | CBT_Responder:No Age=51; BMI=21.9; Race_Ethnicity=White-Not_hispanic
#COLLECTION
CO:COLLECTION_SUMMARY Participants were provided with home stool collection kits and were asked to
CO:COLLECTION_SUMMARY store their stool samples in a freezer immediately after collection until pick
CO:COLLECTION_SUMMARY up by a courier service within 24-48 hours of collection for storage at -80°C.
CO:SAMPLE_TYPE Feces
#TREATMENT
TR:TREATMENT_SUMMARY Eligible patients received 10 sessions of clinic-based CBT or 4 sessions of
TR:TREATMENT_SUMMARY largely home-based CBT with minimal therapist contact over a 10-week acute
TR:TREATMENT_SUMMARY phase. The 10 session version was delivered once a week for 10 weeks, while the
TR:TREATMENT_SUMMARY 4 session version was delivered at week 1, week 3, week 5, and week 10. For
TR:TREATMENT_SUMMARY these analyses, the two CBT protocols were combined as they are technically
TR:TREATMENT_SUMMARY identical (patient education, self-monitoring, muscle relaxation, worry control,
TR:TREATMENT_SUMMARY flexible problem solving, relapse prevention) and have efficacy equivalence.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Aliquots of frozen feces were shipped to Metabolon, Inc., and run as a single
SP:SAMPLEPREP_SUMMARY batch on their global HD4 metabolomics platform.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY Low pH polar
CH:CHROMATOGRAPHY_TYPE Reversed phase
CH:INSTRUMENT_NAME Waters Acquity
CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE Other
MS:ION_MODE POSITIVE
MS:MS_COMMENTS Proprietary analytical software for integration and peak picking
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS Metabolon original scale
MS_METABOLITE_DATA_START
Samples BuffaloU.1551f.wk0 BuffaloU.1551f.wk12 BuffaloU.1552d.wk0 BuffaloU.1552d.wk12 BuffaloU.1557e.wk0 BuffaloU.1557e.wk12 BuffaloU.1558c.wk0 BuffaloU.1558c.wk12 BuffaloU.1559a.wk0 BuffaloU.1559a.wk12 BuffaloU.1568b.wk0 BuffaloU.1568b.wk12 BuffaloU.1569l.wk0 BuffaloU.1569l.wk12 BuffaloU.1573l.wk0 BuffaloU.1573l.wk12 BuffaloU.1575h.wk0 BuffaloU.1575h.wk12 BuffaloU.1583k.wk0 BuffaloU.1583k.wk12 BuffaloU.1585g.wk0 BuffaloU.1585g.wk12 BuffaloU.1587b.wk0 BuffaloU.1587b.wk12 BuffaloU.1594h.wk0 BuffaloU.1594h.wk12 BuffaloU.1597a.wk0 BuffaloU.1597a.wk12 BuffaloU.1599i.wk0 BuffaloU.1599i.wk12 BuffaloU.1602f.wk0 BuffaloU.1602f.wk12 BuffaloU.1604b.wk0 BuffaloU.1604b.wk12 BuffaloU.1607g.wk0 BuffaloU.1607g.wk12 BuffaloU.1609c.wk0 BuffaloU.1609c.wk12 BuffaloU.1610i.wk0 BuffaloU.1610i.wk12 BuffaloU.1615k.wk0 BuffaloU.1615k.wk12 BuffaloU.1616h.wk0 BuffaloU.1616h.wk12 BuffaloU.1617f.wk0 BuffaloU.1617f.wk12 BuffaloU.1618d.wk0 BuffaloU.1618d.wk12 BuffaloU.1624l.wk0 BuffaloU.1624l.wk12 BuffaloU.1625j.wk0 BuffaloU.1625j.wk12 BuffaloU.1628c.wk0 BuffaloU.1628c.wk12 BuffaloU.1630g.wk0 BuffaloU.1630g.wk12 BuffaloU.1631e.wk0 BuffaloU.1631e.wk12 BuffaloU.1633a.wk0 BuffaloU.1633a.wk12 BuffaloU.1634k.wk0 BuffaloU.1634k.wk12 BuffaloU.1635i.wk0 BuffaloU.1635i.wk12 BuffaloU.1636f.wk0 BuffaloU.1636f.wk12 BuffaloU.1638b.wk0 BuffaloU.1638b.wk12
Factors Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Male | Timepoint:Baseline | CBT_Responder:Yes Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Male | Timepoint:Baseline | CBT_Responder:Yes Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Male | Timepoint:Baseline | CBT_Responder:No Gender:Male | Timepoint:Post_CBT | CBT_Responder:No Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Male | Timepoint:Baseline | CBT_Responder:Yes Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Male | Timepoint:Baseline | CBT_Responder:Yes Gender:Male | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:Yes Gender:Female | Timepoint:Post_CBT | CBT_Responder:Yes Gender:Female | Timepoint:Baseline | CBT_Responder:No Gender:Female | Timepoint:Post_CBT | CBT_Responder:No Gender:Male | Timepoint:Baseline | CBT_Responder:No Gender:Male | Timepoint:Post_CBT | CBT_Responder:No
(15:0)-anacardic acid 0 854179 0 0 0 0 0 0 9972611 0 0 0 0 0 0 0 4616908 0 0 0 0 0 0 0 0 0 0 0 0 0 1061498 0 0 0 0 0 0 0 0 5059078 0 0 0 0 0 0 0 0 0 0 0 0 0 2766028 0 0 0 0 0 0 0 3499156 0 0 0 0 0 0
(15:2)-anacardic acid 616447 5836606 0 0 205381 0 0 0 42198764 0 0 0 0 0 0 0 4987233 0 0 0 65048.9961 0 0 0 0 0 0 0 0 0 3626884 0 0 0 0 0 0 0 594615 25130046 0 0 0 0 1104870 4665910 132150 0 391400 0 0 0 1755068.875 217148 0 0 0 3505782.75 0 0 0 62410572 66158 1329669 0 0 0 0
(R)-salsolinol 1743411 17023548 0 1580877 3160002 1141385 11303557 1418695 0 1137337 1331353 2244731 1980883 127817960 2373328 503806.9688 0 6843205 683990 970686 1165319 0 0 0 0 0 127010 0 964678.0625 1560918 1152877 459149 1606165 40765888 1799180 2903777 0 2444619 1887631 3800602.25 21948808 20158540 0 1446312 2949251 5634694 1174151 0 0 52624696 838448 1648284 3821565 44392324 0 0 1237734 0 2507979 2209693 38179128 12021155 1511701 2774858 0 0 0 0
1-(1-enyl-oleoyl)-GPE (P-18:1)* 156931 83324 395441 639790 348732 857789 820499 260412 190667 250843 311460 428725.0313 279788 743365 199663 165758 205188 168986 234030 827363 0 216154.9844 439739.0313 208666 0 233896 338448 384870 581791 267033 1563142 798544 735389 876854 318611 235318.9844 1001854 571228 355123 319138 505358 130604 2832646 487366 564827 288214 130571.9922 450229 590290 475974 86617 356400 197568 552328 211888 258901.9844 261526.0156 391543 232488 182691 565467 758744 89490 89981 929747 1238604 331108 243132
1-(1-enyl-palmitoyl)-GPE (P-16:0)* 371936 327801 801556.9375 1702534 748303 1613231 2272505 910946 1411580 955972 739253 1064643 1149570 3075816 128283 212245.0156 460906.9688 768033 780802 1832586 1658212.125 941132 1029701.938 340051 0 1182097 648025 686730 1392877 996768 3018806 2685180 828354 782517 679243 837466 4966937 5528718 509324 502274.0313 124559.0078 296623 7164256.5 1417479 455659 309173 373154 1657268 614937 2777206 10441876 24595770 387479 668646 416704 711369 7091465 10845229 331848 265214 2006757.125 897602 207465.9844 230626 17364650 15823448 907933.0625 723801
1-(1-enyl-stearoyl)-GPE (P-18:0)* 2126632 1060463 1183734 1412811 742587 6549235.5 3384851.25 1754687.125 3260289.25 1302241 1387778 979077 1222580 4403805 57740.9961 0 1081215 755826 882736.9375 5164585 756351 1962731 1259366 697241 203908 2105525 757728 430731 3187708 1243809 5736221 4100314.25 1486332 1369811 2079837.125 1231969 9553055 4785067 692505 1121460 2467073 599761 17068494 4327208 713217 1047551 1155627 3974698.25 1228688 5483249 1889027 5248356 1072423 2514108 1013472 1703772 315643 551832 1212837 686229 2431209 7424345 436432.9688 675270 9031632 10655591 2640603 1956182
1,2,3-benzenetriol sulfate (1) 0 0 0 0 0 101535.0078 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 47922 0 0 0 0 483419 0 0 0 0 0 0 60030.9961 0 1819868 4078927 0 0 0 0 0 19800 0 0 0 0 0 0 0 0
1,2,3-benzenetriol sulfate (2) 0 0 0 0 0 312001 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 64721 16974 60867 83356.0078 0 0 71265 200022.0156 40079 0 0 0 0 0 193182 59448.9961 6544567.5 7189083 0 0 0 0 46383 84965 0 0 0 0 0 0 0 0
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3) 194813 536799 0 0 377848 63020 336680.9688 416856 0 534609 0 82623.0078 376283 133276 0 0 0 0 0 0 288011 705700.9375 0 0 354023.9688 0 102406 0 0 0 0 0 0 13770932 0 0 140469 259037.0156 107984 120049 0 348224 444034 82667 15393315 498478 750309.0625 0 0 0 0 405549 0 273899 0 0 785802.9375 2485171 153709 466832 0 34642652 0 0 248897 75973 0 1664694
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)* 214931 2282559 0 0 385764 185644 405721 370083 54491 1347412 244386 756994 414116 277645 0 0 0 0 78183 0 283267 844182 0 0 713537 0 268979 197605 0 139498 0 154833 0 25357494 0 108873 74675 212634 129397 149761 0 802871 648330 231337 17919536 1010033 512665 55289 110661 0 0 1237285 68881 0 154880 185506 1179382 3096225 54563.9961 284253 0 79683456 0 0 158717 0 0 758655
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)* 363905 801585 0 0 1148179 1313393 862954 823545 400332 1288230 193641 277394 1043157.938 1528813 201346 187826.0156 170555 745714 0 490940.0313 5074452 2068222 341015 131591 136626 193966.9844 726927 191317 0 0 175680 327887 456712 1532695 0 115441 2924370.75 2669560 82439 471332 1071954 120285.9922 3671392 764118 1881740 401071 1212081 208501 257830 396536.9688 410900 5691965 188413 2517670 0 171879 1591515 309309 1009752 6432994 1328989 1827834 137552 235364.0156 847381 301363 6513197 11010781
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)* 378568 0 0 0 1970109.125 929344 1307049 857205.0625 456433 897270 375593.9688 406724.9688 1071780 1196119 267125 142006 0 596420 0 102863 1376547 1609936 363637 0 203929 141316 958484.9375 197455 0 338877 0 267657 407805 1536507 104858.9922 0 1991574 887852 97873 561605 555739 136703 2719127 339633 1727352 593342 604610 123891 205316.9844 326338 237731 10779629 0 507542 152096 256624 1851129 282409 793459 6592130 799692 2253577 80738 0 800128 313724 1758508 1953907
1,2-dilinoleoyl-GPC (18:2/18:2) 803716 721454 0 430933 1440201 261512 6574705 3693133 374352 124311.0078 398428 426749 849586 263997 425706 334105 441051.0313 548888 733794 449264 4480683 743611.0625 1828139 0 1094864 78228 215519 0 188073 348499 576828 653541 304123 1026421.063 817849.9375 884037 1324198 9547236 278127 6894252 1349724 9991846 3671422 936957 1015067.938 1047278 559284 203876.0156 81092 187097 605891 863890.0625 139017 222403 0 862083 1923515.125 1201618 10124931 3071562 413286.9688 479371.9688 279089 517624 0 389184 2189735 1967767
1,2-dipalmitoyl-GPC (16:0/16:0) 1019333 748789 481151 442021.0313 385800 1197738 2778304 1058951 1023731 166571 2213468 641427 878121 1422907 417511 456437 132072 589981 551831 576801 259338 2356003 1950480.125 650757 166184 195974 403116 114464 959624 402571.0313 1378141 1784537 322058 0 759601.0625 572506 2340560 1385295 644434 247458 1095971 524981 7186561 2500230 710372 577507 721864 1338036 150846 39075232 3157821 2486214 930151 939650 0 108438.9922 0 529460 2555042 837034 1338369 1028954 158759 371805 1634112 1071033 1956225 3342896
1,3,7-trimethylurate 19826296 7815776 3057185.75 8178259 3790726 2251938 3259383 266782 853881 1181213 1143477 2926645 4347992 8655366 3611476 5395992 4798616 2209390 205271 293579 3967807 5002236 438373 451627.0313 1841219 302105 1495544 2425118 3399619 3578542.75 4099944 5026134 669644 114969 150634640 105755664 274768 1203239 1429864 1349450.875 10306041 7480369 158518 1787184 1123040 1179866 1225624.875 2143379 329219 0 826527 742366 1683978 188371 514341.9688 3510980 2106153 789660 15226837 11714360 1205354.875 247167 17827794 32451716 662734 641003 52025 952197
1,3-dimethylurate 1312764 670468 231671 429575 1003070.063 605175 289840 59109 405388 592904 0 421326 802194 387923 68125 88604 1216157 533292 0 0 424963 723919 97397 0 0 0 301520 690599 1009220 938105.9375 64106.0039 232057 0 0 706085 1354408 93480 206033 571193 231378 979187 1216938 0 783013 140366 67505 395382 637389 33365 0 67431 139315 336028 173767 29462 247887 396683 191509 323811 552724 68536 102188 1078006 526500 80770 86021 0 24656
1,7-dimethylurate 12140265 16195184 11167055 27221596 39397840 25933434 9325423 2282841 10227613 24281370 3725969 15391104 27455978 15124336 7548612 12573499 21819108 15020310 1369260 554671 13715387 19752184 10298577 1691334 0 692766 11269861 13931261 8553151 884045 8504864 16547748 1699774 425292 51745 265916 1678911 4070479 30833690 18803680 18505 2368863 844747 13308813 8181304 6382081.5 12030894 25358728 3820018 90446 1703606 2159896 13846244 5470538 622029 4546754 16441817 6487771 11124053 6943693.5 4819465 5170475 23483 44930 7111406 3648284 0 0
10-heptadecenoate (17:1n7) 9502157 123301480 25085772 8786898 23176662 25361390 7071907 19506664 20614032 7609199 14185170 73881944 84038424 6982788 24197068 35732936 2744242 6814262.5 9708528 22166778 6024913 4035961.75 23878492 48992020 938550 33446986 7044614 9301399 6992507 9588998 22898484 27823248 18785768 22793022 8810526 10839014 20834832 12925227 4998808 14164337 21495740 105723952 4713695 192176432 36212880 38244376 14080114 78513840 26659104 1698014 16698345 7026563.5 36523676 45845080 23201280 23363812 43386920 11818406 13170039 3351070 66800304 60728668 4050463 25055676 5583015.5 88949832 15645538 25175070
10-hydroxystearate 1830536064 3756079616 1652652928 2894122240 1769946752 1922227328 2239419392 3365644544 2439628288 968559872 557766272 6519751168 4317141504 994707840 6102789120 8467938816 2754334720 1087259008 1075048832 5281715200 2738523904 2031772416 3581597952 2287733504 376285184 3144355072 2269996032 1799605888 242640752 459182656 7833283584 6725848064 2666776576 4313878016 1631325440 833744512 2057651328 2686888192 1068110720 2135580288 4009694720 5741217792 1135883520 5237836288 8208744448 12845924352 2264880640 3685185280 4942937600 5349041 785321728 137983952 5301824512 5602695680 7770372608 9492531200 7045361664 4277026560 1618001408 1403269248 5668637184 7934422528 831907776 5876830720 1097070848 2929160448 6024888832 2886507776
11-ketoetiocholanolone sulfate 58300 0 206936 40794 0 591761 0 0 587928 470884 0 23964 82295 0 26200 31491 0 0 0 0 0 0 215469 143580 0 0 164796 1087631 789219 1191415 156502 290490 0 0 0 263559 0 0 0 0 0 0 0 42966 91632 0 0 0 0 0 63090 0 0 0 0 0 154465 93084 20585 193047 0 0 0 0 283197 41697 73792 118913
12,13-DiHOME 2951952 2825312 2394071 2026426 8031726 8652230 6179633 5199831.5 3104468.25 6995681 26021438 5468178 2578734 11131111 2004743 5183164 0 4643694 3234804 3779679 14797955 12689108 19161704 18573004 0 0 4742264 2775147 18035888 5175090.5 4019274 6996033.5 2120418 2226693 0 216097 5455242 5013091 952591 1498609 0 0 3475844.25 8982003 4888418 1895082 7869579 2683244 0 314126 9001912 17182896 5860355 64687132 7937207.5 2572647.75 4596433 4899178 2210554 9242090 1851506 3646509 58911 0 6698816 2997947 21925684 12465224
12-dehydrocholate 0 105508 552632 175827 76083 0 9611827 261235.9844 6982906 180965 256680.9844 167246 119176 1283038 65244 0 40268 188855 121137 73023 119098 72548 0 264052 0 0 67614 108157 1413307 147692 182979 457698.0313 109072.9922 668911 0 0 4489390 2306265 0 0 44638 0 31170244 55012376 1380986 120147.9922 2780010.75 471117 143307 0 51560836 18157866 11060301 44669496 0 0 389099 315464 77419 102772.0078 272282 469368 0 0 351790 824187 9200454 119212.0078
13-HODE + 9-HODE 134552640 149196336 0 0 41885140 25640244 31454256 441124032 39040224 40590484 18780228 21047110 157911952 19812080 0 143323520 0 76377808 0 0 165965088 22213030 0 25110230 4513145 50888536 66353032 38368480 0 0 72762296 0 13134252 46861872 0 0 42937292 123874024 6984084.5 24255616 12614178 0 471568224 1046489600 98776152 37482160 55646164 67764000 0 3020711 25362480 26185480 140742768 485509184 227587904 26931566 0 0 102149480 72081704 0 116216376 4963473 0 19037064 0 0 0
13-HOTrE 722743.0625 7643155 0 0 701950 261300.9844 255453 11883555 654519 1086570 582350 475488 0 441733 1080929 640450 0 389121.9688 0 3210246 757532.9375 644909 464540 464115 0 320759 0 0 0 0 0 432075 0 971157.0625 0 0 926055 620936 0 1966924 0 119913 0 0 3580169 1170010 1097950 261753 0 0 94903.9922 285345 812035 620016 8862836 1715069 1058933 596389 965310.0625 3074012 270738 1301733 0 258635.9844 0 603188 0 779488
15-methylpalmitate (i17:0) 30469714 22543986 482049216 406210336 108896200 60760184 12115445 38318620 43770940 30491058 43555176 128333160 82630400 37474260 278804288 293342592 43359252 5630534 269775360 132359592 15932398 5076897 117839368 222260480 47961460 70806272 7392589 55602916 449608032 465658272 74392800 104465096 138949184 66275652 686736832 693585920 96655432 28215686 137703808 202636112 152587504 600787840 1124240 0 43813192 0 15418219 216100128 350554656 2821148 59141676 30845120 149174304 14444168 30010766 94992304 99526416 65967012 70981088 4572899 43051220 169682752 78024208 128435328 4615196 439191872 102627000 216440336
16a-hydroxy DHEA 3-sulfate 0 0 0 0 0 431970 481922 286546 269697 151683 1346102 1236644 0 0 52542 102973 0 0 0 0 0 0 140591 150296 0 0 284535 241727 161626 207581 35977 64020 0 0 0 68028 535414 473132.0313 0 0 0 27773 0 62647 237424 0 0 223299 0 124346 622689.9375 627396 494737 227115.0156 20669 0 787372 409688.9688 0 0 61180 43230 0 0 0 0 0 0
17-methylstearate (i19:0) 1400984.125 1076343 5524500 5971036 3915336.75 5152817 592259 2090400 910441 673026 988287 2410188 6856063 1657320 2297266 3010667 266285 80788 6364129 5086346 447630 224671 4152311 20379180 253558 1052193 342946 1771158.125 1755014 5414181 2557135 6831602 7522428.5 8970777 8649039 9500468 4204457 976997 1511939 1327115 5457534 13353973 138158 20657206 1128646 1244128 1457680 14308691 14690233 661909 1620738 691505.9375 6976016 818231 671398 1338948 8325308 5465143 2345812 656646.0625 3360343 9457450 1224240 2476061.25 311427 17663410 2675360 10481110
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol (18:3/16:3) 0 0 0 0 0 0 0 0 49818 0 0 0 0 0 0 0 0 0 0 0 0 0 0 721824 0 0 0 0 0 0 0 0 0 19626202 0 0 0 0 1307881 0 0 0 0 0 226686 0 0 0 536155 0 0 66836 0 0 826402 2312200 0 1990186 0 0 0 0 0 0 0 0 0 482407
1-linolenoylglycerol (18:3) 235167 11426765 578553 1057567 4781179 0 848053 7143862 887592 2448643 0 1075443 1669972 382890 3108928 375420 0 0 208515 6277305 281074 0 3983932 0 0 1969334.125 0 686346 306256 3742851 979749.0625 2792912 2185899 2637265 0 0 2871897 932462 0 7046939 1290025 0 492835.0313 2610745 15492878 11102354 704978 620507 662277 695923 452494 1389071 4947445 6194297 5314032 1927121.875 4441917 732987 2767487 5529372 649789 2484235 90074 364612 0 5815000 0 1382598
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)* 108313 134701 0 0 254533 439845 407471 287018 51826 456191 0 67834 218008 326382 0 0 0 90596 77001 75671 855787 338825 0 0 48759 0 285232 0 43430 71575 0 130186.9922 157185 409922 0 0 387437 563609 0 194937 42644 102046 1358010 0 1080233 176278 313567.9688 0 0 0 0 1451437 0 598858 0 0 394749 161063 246960 1704433 294017 1663878 0 0 444187 0 791623.0625 1435347
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)* 0 387173 0 0 239807 498239 328347 275519 61344 287552 109771 0 392786 306575 0 0 0 126658 0 134130 643539 375988 0 0 139202 0 552507 0 0 391371 0 0 0 489459 0 0 278865 434420 0 275393 0 99956 2505590 0 2084623 334972 165551 0 0 0 0 3402532 0 129408 0 186119.0156 473563 0 215519 3163533 181965 8100506 0 0 745923.9375 0 165730 375563
1-linoleoylglycerol (18:2) 8670892 159889200 19589198 1039309.063 32026052 26660202 50649256 210769824 56954024 24462762 16432269 43982936 425041184 9122907 9048552 10236474 320763 12011681 3983254 40018352 19924516 8244656 70616424 23794260 0 297455488 1800239 1584954.125 597278 2010120 81351352 69906008 17748756 24728638 393291 2008494 109838864 66831852 4212732 8392429 8635531 4297562 872455616 1300985600 443901024 250057520 9050956 56908016 12675757 17015916 36798620 50807040 272255648 1150059264 7785383 1353366 14127988 6604586.5 85699056 14324477 13084384 73973328 9126387 4847192 3968996.75 30825708 7447546 7230474.5
1-linoleoyl-GPC (18:2) 724668 1200037 0 0 1058677 841838 11751758 3144193 1301846 831871 975150.9375 731078 1163780 1580046 346194 314589 0 2988537 182698 282559 5591977 942704 3734690 620164 428305 574074 269275 0 0 0 394677 563035 476372 417326 0 175269 17649716 27155096 130075 2528123 0 677626 21269270 5248944 1109863 0 1976526 0 227518 3472900 1212208 4183191.75 1797432 4837864 0 0 713749 487355 3594845 4147118 503984.9688 2791937 165651 0 529405 482689 480037.9688 571030
1-linoleoyl-GPE (18:2)* 213293 617637 0 0 220891 244060 3469399 1094645 327098 238750 288941 335683 220547 323331 103883 0 0 674349 0 62452 2628135 241258 349473 106190 95599 69368 92159 0 51093 0 213459 368523 145026 141890 0 0 2380919 7501719 68375 445960 0 195866 4003860 536301 356621 175952 396412 188981 51076 0 296283 925786 379525 1052376 0 0 188208 304085 653722 885235 0 439438 0 0 734840 0 0 249503
1-methyladenine 1968075 0 253425 1411648 2017991 879145.9375 917794 612618 943022.9375 1251904 333134 818463 979136 0 513468 603986 1465015 382718.0313 863375 2033544 539161 1954801.875 588818 450887 0 750312 1984352 1931901.125 2555810 1095695 885270 747268 2350370 3509402 870478 870065 0 442435 2183034 1128286 0 5422105 10003198 24793712 0 820179.9375 1313979 1317334 982885 4333700 234308 1958323 394026 2392696 915385 398510 4052095.25 5190420 2176271 0 638075 654552 403538 1178043 711047 1408211.875 1466188 889921
N1-methyladenosine 319461 63320 72357 0 0 0 0 0 206271.0156 380724 643593 243548.9844 0 0 0 0 480368 156547 0 587527 0 607277 0 406179.0313 0 667383 2388124 1574945 0 0 0 0 202638 603439 0 0 56091 0 779363 651974 0 0 0 1179546 536199 520996 267009 535523 929078 2529970 345818 485294 377495 260400.9844 342775 0 565436 834551 477258.9688 488041.9688 92850 66902 0 0 1246064 1027603.938 72517 0
1-methyl-beta-carboline-3-carboxylic acid 4990870 2347343 0 0 90217 23672 120814.9922 55627 0 38268 118024 219155 95087 45581 70861 0 78647 39097 47462 43174 0 57570 0 0 13638223 140388 45446 35373 46780 65147 34724 129823 54478 50475 2937417 3569958 0 32370 20765 59304.0039 7683685.5 15758179 75805 81639 0 0 108218 28758 29687 0 40424 25459 0 0 30803.002 0 306653 40849 0 22419 47120 87492 34933 119993.9922 347424 81878 35628 113160
1-methylguanidine 323005 122559.9922 1786809 1639566 1066324 472608 348709 90915 416001 390074 611144 1789701 410069 380534 771233 904515 276285 334225 410249 1349121 1081458 603819 1995731 955790 909008 444949 546833 582311 1296071 804361 850047 939460 1592629 1452845 816767 808135 710614 303693 363822 395546 1075028 657635 0 525003 552129 143356 1083065 536569 200964 136597 152272 236653 0 0 375330 353490 645934 473772 416364 349714 576803 375481 563310 648115 761287 192717 187035 255060
1-methylhistamine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 256677 0 0 0 0 0 0 0 0 0 0 0 0 0 233034 0 0 0 0 0 0 0 683697 0 0 0 0 0 0 208012 0 0 264032 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 779990 490623 0 0
1-methylimidazoleacetate 16263464 3230904 2706494 2143129 5172899 3411573.75 3850798 5051500 3214802 7074439 6112954 20583962 2051662.125 3478038 5278323 0 6325993.5 4473204 4138855 5008359 1898915 17305440 20263862 3206746 24395652 9802503 4000824 3535059 4934660 4642962 4256748 10894796 13719751 11642212 8212603.5 8462671 12498571 3285979.25 5079952 5499051 0 7580099 502372 1871519 11880935 3453487 7743093 13391140 8380498.5 1994258 6783673 1154477 2431894 1617125 6282603 8054472 7794804 14107135 4136883.25 2377627 8948359 16990172 2876352.75 4889237 14240515 3929463 4745997 6103128
1-methylnicotinamide 577404 1091390 1180665 361252 1287341 2062017 0 0 182413 0 476846.0313 99264 867434.9375 1602241 5436620 3992591.75 0 0 72194 447535.9688 172314 0 1141545 623231 0 0 0 117741.9922 1377849 2392472 229277 143864 187509 353356 128741 131794 2240355 855060.9375 8847655 3889994 139112 746444 0 250493 4656350 6088868 703788 3687927 118661 392446 836379 1291069 2230149 983187.0625 0 295816 54002 0 2322734 1221869 2267047 0 0 202349 2116292 2465315 736178 607309
1-methylurate 0 327287 2309768 6329324 0 10322877 1793801.125 475914.9688 1940835 2358674 878688 2318434 1294893 0 2661104 3397537 0 2153679 212899 205854 13246547 20272094 2123045 539076 0 0 3756170.75 2036591 915300 0 444855 927977.9375 0 219300 0 0 169335 412365 10858918 8184422.5 0 729443 388361 5612928 2300259 558088 2971698 10088003 2576474 763238 155988 222572 592862 39967 0 0 1981249.875 499268 0 406327 1870715 1451042 0 0 1092699 1014226 0 0
1-methylxanthine 0 641373 5579837 10653135 0 38985016 8660243 3485996 9117806 11460792 7703846 19366968 14671537 0 23846380 37711672 0 4879943.5 9438894 4267857 30655104 3114234 7042207 5816790 0 0 13706428 16514345 14225463 531775 11712561 19150532 2510543 3632712 0 0 6595373 5902515 23848440 24339688 0 3489862 3007033.75 17938004 20622638 10441400 16947954 16193849 1972948 0 5099466 3298327 24954346 12899768 0 0 12063303 9762356 989806 4388262 5473374 10082654 0 0 10052775 6086163 547769 0
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 899715 1065095 0 354319 1373138 408551 12692823 1495005 646776 165894 599537 1649898 1606860 569878 581292 866585 401479 4259772 368760 771350 3829953.25 732457 1784934.125 127619 1433785 151991 198444 105895 781598 496720 1329181 1114763 411942 636080 859099 505379 1360553 5283576 497927 5636904 1404481 1064259 9065747 3288615 1658579 1551750 835326 312012 0 1049270 916122 1090704 135352 676503 198491 378464 771780 487446 7550208 3262104 1269269 251834 341507 903882.0625 59127.9961 123212.9922 6230065 4445394
1-oleoylglycerol (18:1) 47699788 1120867200 74074800 3822051 78831488 120003504 334518624 585285120 229410912 66121360 18472306 257643504 1850528640 32478106 5389474 44466464 428434 42878692 3288983 29335456 60934912 30806744 192391392 107015984 45495912 1088590720 13511379 18141562 9468622 12156980 348725632 368153056 36105864 33524516 2690964 14624866 1442757504 232699232 27653704 33232932 9367276 12971907 1291258496 4915790848 922967808 625898560 14137067 163578224 38542752 35551424 141151136 153899184 266284368 2637797888 31824536 0 25789138 13213505 128647968 31328000 78433088 721806784 27045068 17813078 24475794 90041728 91057392 43681748
1-oleoyl-GPC (18:1) 1710557 3026932 1484307.125 679563.9375 2659147 812574 53125216 5995234 7124502 1365227 2039706 16792368 14386368 10382802 468637 1311328 143607 56160996 505268.0313 2068250.875 45576508 7375655 37892280 3645183 459145 485487 579874 239427.9844 414696 573777 10648687 5642960.5 1231278 2508195 258279 1268561 37530864 69482096 327224 13167839 908722 94820 93554960 32624784 8499706 974660 6255037 2095605 0 10913226 2424515 7661503 6304197.5 49761232 467146 307998 961810 552834 11997096 8723939 2377668 2116604 258144 0 1609631 1458222 28955280 16130536
1-oleoyl-GPE (18:1) 322883 537006 526807 1288440 333720 509832.9688 6211588 1064189 973327 996349 1077241 2628070 1243004 1376767 152507 303006 290152 6141952 373241 622821 2102367 476797 2233439 238241 112859 189998 1124764 379866 432804 563682 2653267 2678694 1135857 1687829 274010 424044 4464578 5286381 979907 1775977 390657 263647 8000387 2642720 2741402 1601043 580755 782461 292792 373010 513809 869921 771726 4484629 216287 281702 421733 536097 1060966 932632 1125162 1238862 469641 339132 2773094 1275651 1621915 1103062
1-oleoyl-GPG (18:1)* 0 0 0 0 0 3871131 0 0 0 0 1279821 0 0 530167 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4297630 0 0 1728430.875 3149389.25 0 0 0 0 0 6373323.5 0 0 59583.0039 0 0 0 3503357.75 789698 612885 0 0 0 0 904219 0 0 0 0 0 0 160946 0 2436198 1663363
1-oleoyl-GPI (18:1)* 0 0 0 0 0 0 1667360.125 0 63171.0039 0 0 0 322800 0 0 0 0 661032 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2351678 838275 0 977587 0 0 0 0 277756 0 0 0 0 123448 843614 343263 0 917583 0 0 0 0 0 0 0 0 0 0 0 0 0 0
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 102147 232154 0 182595 343316 141187 319724 0 52351 0 144951 205339.9844 168021 179172 282167 253354.9844 175402 0 192098 457771 0 0 1089994 0 130824 52550 207324.9844 0 495340.0313 162538 305832 377848 318948 212544 316098 210038.9844 0 84428 109965.0078 0 820348 301433 131648 239515 162594 717578 296841 105964 0 6620058 149782 54056 61282 0 0 120211 304026 222739 74738 134470 272997 0 185497 201782 0 94771.9922 26597406 18101982
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3) 0 225239 0 0 154063 142939 103198 179598 0 257367 0 0 147681 572499 0 0 0 0 0 0 227599 236830.0156 0 0 96458 0 89955 0 0 0 0 0 0 2180097 0 0 132236 140724 0 0 0 291409 373723 0 4690285 345266 384734 0 177841 86779 0 161386 67099 420166 0 0 249735 577334 116659 417947 116471.9922 6420127 0 0 182200 0 289611 1309901
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)* 1247146 615059 0 1079416 1710930 1259601 745028 1216294 527351 1101156 478235.0313 444888 625508 3051864 644885 367090 245263.9844 478075 371773.9688 1452504 5242820 2007627 445708 855025.0625 244534 598308 994012 248766 211039 334686 129351 479869.0313 432286 1575028 446240 549429 2646545 2825228 243768 370345 537060 241655 2043180 541026 1883576 946894 2482624 466250 850272 494108 546378 5405213 1219963 3932341 252186.0156 374547 1986553 608589 1662616 2913509.25 1095600 3857083.25 363578.9688 576909 950314 886780 3987032 5764507
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)* 394684 0 0 0 3049133 1742652 1030207 537381 494594 407759 503487 0 73354 1538670 0 507188 0 201524 345835 0 809746 781185 477893 0 91614 120484 928898 600125 0 288179 0 0 844019 819793 520646 886671 931672 533043 0 0 349247 197021 146772 589991 609924.9375 0 494974 0 391882 0 345875 6062748 278807 0 210282 353576 544749 370563 488402 1036529 432955 1360620 230196 0 486807 184970 878269 719645
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 1494657 2332374 272323 1068656 2372663 1216899 9176151 2880721 710549 515173 1449555 1752297 1329008 1037385 1854714 2763030 879394.9375 1800813 914036 3616492.75 2765769 965663.0625 8932839 556630 1804960.875 428844 753433 215508 4030187.25 1382791 4478689 3145000 1444631 1474127.875 2198301 1541049 2353602 3424107 1026829 2403544 1979692 2460591 4886408 2155425 1843323 3809479.25 1614905 633848 176990 52846588 2177157 5533969 425045.0313 612560 479215 932269 1787535.125 2829659 8916412 3043187.25 4632598 524396 1069998 1456274 603736 591718 49482592 44676780
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 0 0 104029 267506 227770.9844 0 457410 265730 79798 412680 948609 883123 0 285172 105009 0 334353 177655 188940 154280 0 0 456847.0313 236655.9844 425655 256060.0156 5349310 4107987 3325092 3753705 189957 300704 602905 239079 2040354 1740976 0 140074 1471996 1108565 130475 2613287 0 0 577271 244813 0 714745 0 0 150818 0 0 0 0 0 1017925 1141828 400483 926461 1077474 0 2603667 1840530 4628738 405240 1948183.875 3069356
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 2346868 2202628 516523 1723559 2298856 1766439 19685250 2621257 1313946 719996 3132105 3295256 2694667 2181357 2387933 5913120 1475292 8283712 1398508.875 5369905 1812055 2186081 11128653 1455867 1883680 671967 848484 598929 4214201 1737531 5520339 4324176 2003981 1648844 3560993 2504006 4873759 3442894 1798790 4544923 4101915 3128991 14319114 7080893 2827754 3103986 2169964 1324715 291081 51762640 3198400 2601788 803957 1204210 789252 1348636 1598891 2725883 10387518 3245521 4417919 998059 1773499 2577285 2817069 2052803 51006324 50510632
1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 0 887616 0 320014 0 0 992109 609448 0 562627 0 1099429 0 0 127977 0 1098738 894465 595555 280466 0 112566 215833 0 471675 231856 4473688 4990937 4368616 7265824 824559 0 1856991 1584333 2494383 1627488 0 0 1731014 2095334 290574 5054743 0 0 1010870 761755 0 450779 0 0 0 0 0 0 0 167017 3382549 2824280 555224 858559 2977057 0 4230348 3052809 4499397 1336382 15850483 12027298
1-palmitoyl-GPC (16:0) 4623013 7022557 31337164 4399625 8762784 7697293.5 86613000 12987730 27937922 7277130 28425324 35143572 24132068 69956704 4840755 3676440 1219760 34503048 2768165 18543996 78177032 102042520 101162392 28796760 1189856 1644584.125 2831834 1161754 3421709 2672592 84576336 61634200 4974556 10272828 1829720.875 6612231 137868128 177654512 1385717.875 12105873 2935775 1637247 58900540 29088894 60734464 11594146 33337502 15080973 766054.9375 297968608 12443581 28395578 32668842 121879784 3157382 7598026 5075905 6466424 31778822 17842752 19787652 78375096 601143 1042585 15878938 8989177 144324480 90300840
1-palmitoyl-GPE (16:0) 3635849 4337694 26794666 29494060 11664761 20765032 34484360 25926784 32222500 28544784 39454784 42372968 25685926 60126380 5059600 0 4024914 13271042 12015289 11950205 110874064 31454848 60331616 80342592 462893 6712324 20253252 15397549 4793652 8814688 52571868 99765480 19731824 9817179 7771431 32015964 40436044 53083888 7784685 11912800 2384839 6079553 14854036 14316900 34403144 18381796 12987394 26994542 5659010 0 23682072 42740884 22135596 31861294 4481267 3610230 19711338 21287532 13916665 8589540 52283352 20813856 3992945 2613934 63541280 24656758 77846480 63221640
1-palmitoyl-GPG (16:0)* 801551 350766 366064 150404 917823 3452795 2206308 1031506.938 750741 259876.0156 1008208 869907 2087739.875 1105589 0 498079 0 115530 0 0 207538 147733 1303054 1191620 113169 0 188368 100217 257040.0156 332728 350523 800717 932659 3805557 407255 928613 4202408 10874412 348639 1258380 883454 1507294 89564 4665574 3294474 2248369 406545 2840510 268595 1008659 1658122 1997215.125 2704987 1366405 269246 151597 2189574 3287634 671022 334975 1006873 2162989 235969 448781 338589 865734 866066 2599569
1-palmitoyl-GPI (16:0) 0 945181 336738 71125 990125 4177566.75 6067092.5 4309669 2030580 0 260680.9844 3574025.75 3267382 583732 0 199370 0 3292352 0 0 1867427 492528 1778455 1723528 0 934385.0625 0 0 0 0 0 273174 0 1372809 0 962339 15376188 7946648.5 185243 5945257 0 309658 346799 18670224 5384726 0 524540 1599074 0 1494761 7650772 4759959 7104905 9743319 0 0 1492116 1720749 1954637 832423.9375 1395190 5555607 0 0 74235 2424538 411196.0313 762642
1-palmitoyl-GPS (16:0)* 94955 0 0 0 0 1693690 480697 297394 242112 0 0 0 0 809956 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 186694 402057 0 0 0 70860 1019253.063 383588 0 0 0 1718891 0 675221 2929307 884485 0 125034 0 133083 3637987 7981953 914692 1980307 0 0 412210 860967.0625 0 57607.0039 405417.0313 169235 0 0 99048 1521821 0 0
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 1014302 1508686 0 717153 1488096 762280.0625 13983832 2303981 349860 297942 1173027 2581881 3314076 745407 1175643 2524597 731814 12394120 514891 1980436 1416472 513060 4909950 452501 916546 263368 556892 111152 1861262 917506 2844577 2008849 975616 659621 1943110 1210320 3330689 2571222 821580 6116668 2218505 2400232 17976194 8454900 2835680 2116710 999347.9375 350139 57568 9011252 1253017 1783358 125200 964602 0 581510 1030070 1130213 4907396 2956312 2993162 321572 810541.0625 2104727 528087 401448 11956483 10673666
1-stearoyl-2-oleoyl-GPC (18:0/18:1) 472941 431082 0 279771 505079 238907.9844 2260209 439873 108960.0078 113364 565957 676419 523567 318731 633428 1345071 285794 1348072 222304 1095522 0 148051 1311643 0 231549 124557 158269 141725 648418 301238 1062464 915823.0625 388963 315524 904105 491444 354772 246066.0156 286857 1296328 981640.0625 768648 3875564 1500451 577380 494461 436477.9688 95073 0 1869844 554510 518410 0 0 107509 231427.0156 227986 577401 673181 489244 1028102.063 119550 212556 738155 567608 419254 1586841 1800182.125
1-stearoyl-GPC (18:0) 1378756 1926287 2169893 420348.0313 1386556 5345840 13945489 5729803 3150175 1479763 4041221 1486627 3156234 26031976 1143264 457191 247516 13653757 604859 3349945.75 1344005 3766023 12068495 1818759 413239.9688 408193.9688 398568 144888 1096366 347409 12532974 12249422 1535358 2880342 473369 1089760 46143088 23803504 509035.9688 4070291.75 1085752 1736847.125 96717400 10386710 12481988 1084459 2169950 1444501 411332 52920764 4867891 7713538 4649880 11709097 490298 784006 640565 3189143 1541499 6169343 3025589 3039893.75 557123 317666 4474871 2791777 16580871 9694270
1-stearoyl-GPE (18:0) 407496 462844.0313 359888 509192.9688 469825.0313 2170633 2491868 1451017 813605 609050 935389 1165191 1142147 4210120 272789 201469 261906 2239438 480872 1285673 512622 400943 2089889.125 573738 77397 304056 522094 416432 1431725 434116 3767320 2848630 913234 2120344 450173 619375 8475254 3292906 390625 1000933.063 439802 2194317 9923385 1820547 2336303 430077 1035314.938 945675.0625 296481 4998904 890527 2412959 721489 1565538 276431 423302 1098613 1812671.875 589378 1398697 1160349 612472 239043 282824 3372450 1741444 3591182 2475594
1-stearoyl-GPG (18:0) 0 0 73808 0 211167 737379 330276 165728 96409 0 310946 250950 700389 302745 0 0 0 0 0 60520 0 0 234292 251922 0 0 0 0 96489 85987 0 212201 214779 759407 150938 752087.0625 920819.0625 476388 67845 340492 0 207676.9844 0 1146712 1310366 0 134487 449952 0 234254.9844 613754 593431 854378 294833 0 0 223060 541078 66465 77446 265776 217261 0 0 88225 444672 90157.9922 148835.0156
1-stearoyl-GPI (18:0) 97673 138636 406832 0 193036 2024235 735082 1049367 219101.9844 0 301688 298203 1039556.938 177692 51817 0 0 1032944 0 632150 75361 125838 3142344 2012154 0 293162 0 0 0 0 163012 847902.9375 106382 0 0 376212 9778843 1294628 127340 1911797.125 0 0 139045 4754272 1456876 0 153630 337824 0 2611748 2796247 3335331 3538509 1445125 0 139287 106047 581389 0 243895.0156 3569359 722593 0 0 299533 1345628 1083934 1403577
1-stearoyl-GPS (18:0)* 459234 217467 433305 266404 186716 6265203 1094933 483919 303091 0 423531 275850 1162547 583436 0 0 0 0 0 1091661 0 0 550443 497036 0 349562 0 0 587325 152901.0156 525455 1361680 655925 1089941 514828 750561 3792530 712317 80900 313354 119404 964214 414236 8364649 2539093 367339 137152 816123 187359 4119844 997622 1892198 2146931 2132339 0 608284 0 839727 199967 0 2145954 640076 0 185338 838738.0625 2851316 50117 0
2-(4-hydroxyphenyl)propionate 265115 986278 0 0 7084364 401274 0 0 5857918 5038368 0 0 426533 0 0 0 0 676915 0 0 379904 0 0 210015 0 0 216197 0 0 0 0 0 0 564854 0 0 0 0 0 0 0 0 0 0 452974 0 918733.0625 0 0 0 0 0 0 0 0 133157 0 681374 0 352673 0 0 0 0 0 0 0 0
2,3-dihydroxy-2-methylbutyrate 0 8647216 0 0 232962.0156 0 114493576 292859 0 179620 0 0 0 0 214598 0 232246.9844 153878 0 519684 70428152 19101176 0 0 0 0 371651 0 1736484 344561 237721 236100 0 2499724 0 0 1356544 0 0 0 0 0 3178330.75 40296600 3007762 0 133310 0 126433 81859080 22094006 104973648 356887 11901044 0 0 0 646618 244684 1664192 71431840 175208000 0 379723 1165890 333197 533308 0
2,3-dihydroxyisovalerate 799528 858209 154505 296089 977617 917366 3543699 355276 635109 1230539 137979 90056 673853 4114891.25 0 0 374599.9688 762750 240218 1385803.875 96784 415212 414381 0 108848 361240 365646.0313 311531 528373 303187 441990 281703 362230 576826 0 339721 458252 420369.0313 206128 754326 257245 372595 590915 230442.9844 4516485.5 2339861 409878 313786.0313 330663 10706881 694427 197171 1205819 664903 254393 199639 1514604 1494264 441596 2380248 309580.9688 516014 1556586 0 401834 438989 797269 752729
2,3-dimethylsuccinate 6680480 1693750 1295122 1880025 3515364 3472945 1168432 1258011 1522813 2998612 1873857 2225490 3017760 5628226 422732 1968081 4608791 2155516 2627903 2166965 327300 453028 2351846 1124456 1672828 1166451 2016027 2617809 5277804 6951696 1435214 1684140 3385590 1113657 3661837 3070041 0 0 2502114 6158023 4695128 4742494 0 1440831 2106913 1356965 166044 567491 1675315 0 0 0 1824663 704840 3264235 5432899.5 414310 234911 823954 711465 201429 252636 2408800 3399656 4587954 2629183 0 0
2,4,6-trihydroxybenzoate 309651 442942 48127.0039 28114 125622 334182.0313 297090 281534 0 66243 112367 40234 512675 25794 190305.0156 105366 48298 150634 0 120628 68853 0 45605 116800 0 27539 78299 40680 0 0 89020 162821 131653 140101 0 0 149565 71226 225307 245124 477113 396477 1162383 375324 806697 375987 0 90184 0 0 406858 1049056 235781 340424 275411 364399 604601 227546 0 155968 120130.0078 285313 61823.0039 57843 404893.0313 274259 28284 15994
2,4-dihydroxyhydrocinnamate 199170 99111 0 41070 0 49411 0 0 174426 894329 0 0 225632 96731 0 0 52186 0 0 0 558912 432603 0 0 68303 72831 162803 0 0 0 0 1119923 0 717422 0 125152 0 0 803575 380562 0 0 0 0 820022 227887 150106 0 247679 0 0 0 0 0 102053 127950 0 0 112529 56335 159367 241558 0 0 214244 108992 0 0
2,8-quinolinediol 952895 344635 621072 0 213027 0 1616478 168748 0 114269 1609384 646876 1143888 528155 40318 230646 13509329 4683034 617433 481752.0313 0 189267 0 0 1578768 116389 112558 0 480901.9688 0 2641013 684235 289525 363198 139957 3481348 251871 260284 180135 54775 0 306996 4321371 684748 0 0 61447 53792 0 0 2603367 4217395 1143481 0 0 0 2056340 1023104.063 1517844 3343004 0 519087 852696 2386164 0 3928355 5096503 344233
2,8-quinolinediol sulfate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 59191 0 0 0 0 0 0 0 34502 16515 0 0 0 0 0 0 0 185324 0 0 0 0 0 0 0 0
20-hydroxyecdysone 33569 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346251 0 0 0 0 0 0 0 0 0 405164 0 0 0 0 0 0 0 0 0 0 0 0 0 631361 0 0 0 0 0 0 0 0 0 0
21-hydroxypregnenolone disulfate 0 0 0 0 0 35899 228610.9844 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 261288 55546 0 0 0 0 286588 0 0 0 0 0 0 435364.9688 663375 1122694 201191 443394 0 0 0 0 0 143627 0 0 0 0 0 0 0 0
2-acetamidobutanoate 2092188 1318412 2923450 2041129 1686449 1583562 2350906 1364688 1901864 2255509 2150891 1816437 2865493 3900584 1412575 1129346 1081175 890434 1663198 1276126 3134701 2513470 1498965 2241796 631699 1494768 2680376 1995493 1854655 1700221 3375663 3151410 1692791 2117440 1065757 1011030 1684100 2247131 4468589 2137000 1397997 2336532 2092605.875 3984057 2330628 879662 6394364 2161276 1361938 0 2713042 3575617 2709412 2478003 2442466 1609545 3095321 2745337 3088582 1617828 3597489 5057907 0 1066564 3452677 2909731 2799647 3592989
2-aminoadipate 2261124 1036771 4115369.25 2457382 2151074 2352552 1807781 1552627 2145297 2156849 2608651 3871234 1293651 1851294 1679661 1710665 1292014 830204 2221792 3324555 1370119 6105313 6695353 3913782 1372973 1682727 2759682 2404252 2751946 2268061 2151529 2173604 4178598 3121091 2213275 1626842 750520 1073556 3169554 3266010 1325782 1840089 185527 1464847 2058798.125 1702867 3189060 2641075 7378886 0 2140126 1386097 1430945 874413 3693407 3275654 2815228 3325156 1588043 867683 3534808 2224003 1633008 1382222 917358 1555392 1001888 978529
2-aminoheptanoate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1253082 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 805524 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 857496 0 0
2-aminophenol 1317997 1732446 444736 466360 433347 1321591 278751 613929 814572 1028679.063 2148461 1311754 1250316 2393235 642554 412304 322853 613332 560746 277530 3590259 3170243 734517 479323.0313 871263 695511 4602269 3375900 1740661 1514861 466713 580639 1052499 2582791 435807 883338 3038746 4839880 793463 493655.0313 472247 663812 395172 681919 931850 418860 884670 1821422 1153486 258688.0156 1268815 5567056 743190 9427466 689377 358572 1373743 1261334 1631020 2440910 1454243 2244062 744864 1160184 9990627 5856957 360384 352462
2-aminophenol sulfate 0 80730 213868 0 236969 466066 0 0 0 0 0 172304 0 0 0 0 0 0 0 0 20409 62805 81168 0 0 0 136961 0 0 0 0 80565 0 0 0 0 262008 316652 0 0 42624 343841 0 35218 0 0 166463 34466 0 0 285778 728429 0 1312538 0 0 0 0 0 109327 0 0 0 0 270841 0 0 0
2'-deoxyadenosine 1040952 522987 713604 1077962 1855876 1127365 1163300 2351186 4018041 2191260 413767 961767 1924067 1521353 885058 1292752 2639029 1083520 659184 730511 143008 166725 400822 952704 3059303 2495275 1404222 1241270 1032115 0 230153 168741 1193399 572865 537059 992953 494977 3136050 3597424 477525 250962 233905 617568 403562 1186024 1487204 1079184 770193 37963456 119449 1277170 854275 2004215 552329 770896 397966 1539712 1430407 622469 438727 0 0 213526 590703 465570 187144 2957564 3262732
2'-deoxyadenosine 5'-monophosphate 69177 0 0 36102 407314 326211 329945 101558 0 0 1081028 1792556 2406630 4307223 0 0 0 2968185 68776 0 174097.9844 0 949162 84151 0 881078 63826 223685 81683 343739 0 0 866036.0625 497319.0313 0 1440769 0 65895 107703.0078 128615 42054 0 1422106 434122 3567516 2447643 0 0 71689 0 0 183303 159412 512134 747140 58953.9961 48189.0039 384948 2373444 521958.9688 147971 67570 0 0 352652 131764 0 0
2'-deoxycytidine 5525281 4601125 775752.0625 1231117 5197156 6517875 15695859 25245210 19800926 13331925 2895084 2016600 4473590 6231578 1081474 3410742 1444030 5907773 2765875 4159777 2212252 1107879 1859169 1331626 0 10422008 5813300 7810585 2467822 2381304 2303583 3151274.25 1925724 3057421 318617 2443519 41309564 49351224 5585634 1885127 2224344 516872 3018717 11938576 13297691 12590977 7846369 200746 1712564 469877 37349164 28670316 8871252 11765657 6549284 2606293 8182270 7104593.5 4704548 5684551 1941268 3715790 1988683 727512 6771729 13756624 4220984 1479868
2'-deoxyguanosine 8291591 1377125 839543 1007667 5004210 4192816.25 3784726 8534979 22346924 26340216 2379275 2060761 2837885 3822126 1379926 928602 3684749.25 2570455 1418135 2049845 1633795 3006031.75 1973633.125 1050954 510827 16352323 5841832 4602279 2760756 2027810 626706 1117277 2279749 3015563.25 89981 1786969 7859555 14703082 3796696 1073906 918031 422812 3173953 12556844 6394250.5 2063415.875 6023726 138599 3344645 806547 22892496 9573749 12140152 7778582 4029828 1595393 2575740 2947066 2657310 3059123.75 434358.9688 2313292 619539 133717 1497822 6004272 4827227 5554810
2'-deoxyinosine 12312329 2506600 1790140 2006429 12692756 11224932 4859893 9645230 21198186 29222222 3819931.25 3366942 6702656 10560793 1463814 1189741 4848556 5005614 6615227 5184143 5234943 3883320 5570732 2197694 285881 35953524 13691028 11428081 7276956 7690742.5 2199655 3373146 4793767 4398280 167356 4013452.75 12532802 20798552 4785626 1742943 1070569 459780 5259377 16066739 13111702 8560084 9287414 263969 1615325 1179402 29045408 12577528 22388020 14421898 7787476 2399095 22322076 24129142 7061507 6636142 889351 3631526 1165901 184364 17448508 17359466 9164474 8725837
2'-deoxyuridine 9372332 944415.0625 1406099 1008591 6844317 5444946 3930317 8015923.5 8621701 16089183 2925099 2850247 2397725 3436009 2255365 2242800 3723548 2161197 2639165 3775270 4532470 3806559 4466959 2024406.125 318261 16509760 6338263 6551755 1976183 1787180 1193741 2324148 2832802 2176107 347601 3490038 4776664 5377432 2638393 759934 790176 511178 5225319 10348947 2649358 2519844 5562125 224484 2363195 1102582 12672165 3568987 18957766 10545674 4838613 1978167 5929684 4145662.25 3777046.25 2324001 616000 2336155 640954 310101 3978830 4250219 5229559 5595362
2-hydroxy-3-methylvalerate 263429 61221 67336 245072 0 103418.0078 2082941 775097 104140 164842 185220 106340 185012 489694 68010 0 130811 0 191839 131891 64592940 5415503 0 74818 123996 196589 235625 0 107600 95121 383714 400098 0 262706 0 163479 219103 235734 92852 0 0 115227 1635751 6129350 224042 286290 205041.0156 730932 498450 254301 604466 6378248 361905 1742998 0 0 171109 172525 0 588052 466966 1034051 0 0 285753 385879 264354 243582
2-hydroxyacetaminophen sulfate* 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 74917 0 0 0 0 18480 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1221873 0 0 0 0 0 0 0 0
2-hydroxybehenate 6658144 5600129 42545000 30089848 22317384 14323048 8916583 3126486 8622063 4542320 5776581 73099040 67857464 14057062 26199112 49475860 1611618 1831917 6346532 11504289 205713 286001 8217314 17993242 990737 9932242 2008362 12866396 27438048 26237182 24088856 39574708 72122560 124119424 65573372 71486536 6259229 2669204 16798550 59157560 124085744 71075232 222804 12035851 39720864 99353344 1092697 8303871 80465336 7823525.5 10528431 8346549.5 5347510 1458637 4918107 26735128 101084272 31130388 14570255 2428246 7331661 3018618 27094640 62291712 3826342.75 4420038 26027856 33217794
2-hydroxybutyrate/2-hydroxyisobutyrate 1171987 465944 485034 327590 652530 769038.9375 1979069.125 1439461 1330100 3229180 698546.9375 645350.0625 1196870 1698119 347988 306057 680226 544293 1068335 1091088 3929932 2351896 670690 435104 536583 2062583 1111390 1356732.125 589348 655771 1541058.875 2758803.75 1261743 1563985 0 436621 1335970 1396352 873695 633190 374029 989075 4736133 4887502 2265389 1487803 1476877 895641 805297 2124434 2719331 15225726 1225952 2423514 972323 333785 770870 1020562 945904 2267321 1830558 2550586 186471 320621 1612624 1218148 934939 1035864
2-hydroxydecanoate 798462 503177 615426 559032 917860.9375 238270 472697 415138 1238856 1391464 269026 354665 573479 365485 215402 327123 280791 184777 757610 612290 553336 957619 1000687 595445 106193 1709390 955426 690693 234037 407739 449644 569122 478296 228955 0 106105 436492 860324 519491 300835 275412 244363 254413 883442 621650 506544 1800726 1078497 622867 244581.9844 1216649 155120 645778.9375 338507 1881397 1285115 1566685 828454 264205 488442 365973 670135 152483 279536 287833 240293 3764217.75 3836585
2-hydroxyglutarate 74658648 3980385 6174561.5 21486688 12442916 100234048 90548640 37940152 0 0 20493686 19720486 1569452.125 0 52441152 856493 65207812 7171570 9220686 18681426 16832264 86929904 0 958003 51739788 78129560 88724120 44281976 11509499 0 42836148 5908055 42048032 27002392 58332640 26475840 12433657 16016397 0 0 12203956 59898644 482913.0313 68585688 352292 236358 12994849 118592344 21996388 69821120 0 0 3478385 0 6539492.5 8195391.5 38666468 37241048 1943149 29185234 14149489 53041896 4311989 7110208 35634296 59399740 0 0
2-hydroxyhippurate (salicylurate) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 615642 0 0 0 0 0 0 0 0 114056 0 0 0 0 0 0 0 99518 47717 0 1739962 279353 136521 0 0 0 0 0 0 0 21243 0 27155 0 31447 0 0 224007 0 0 0 0 0 0 0 0 0
2-hydroxyibuprofen 444175 0 5105251 0 0 0 0 0 0 537152 0 242970 0 0 0 0 0 0 0 0 0 0 0 586779 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1900299 517107 684638 0 1001681 0 0 0 0 0 0 0 0 0 0 0 1245266 4138212 0 0 0 0 0 0 0 840080
2-hydroxylaurate 687477 143151 396346 629807 549171 140476 151187 0 120083 148087 149535 523729 329716 176267 264401 357429 735123 191885 549814 530398 98403 215326 331971 275192 229245.9844 97693 177481 383448 761286 521279 235308.9844 473736 264479 260293 271725 450367 118132 161800 453629.9688 436690 220809 301454 88694 184150 238800.0156 499271.0313 121462.0078 284849 156545 175861 131599 169360 169887 122801.0078 184832 203453 409383 313334 246033.9844 210879 167088 135323 158580 449666 0 178273 254695 694380
2-hydroxypalmitate 94119720 34260808 1096366080 782446592 300986624 59641220 0 0 83270024 38351000 28519270 888959872 550202112 77575608 591082304 596683456 22251100 12230796 346040640 148137888 0 0 0 0 2148310 137195088 30231142 345584576 457253824 468316512 392639744 485859424 624073984 729218752 504878208 704975168 23819872 10457423 298706752 290488960 129474024 396284288 1893764 0 494739872 806299264 2555757 72321672 772304192 10354080 0 22734164 0 0 69338600 130590368 507976384 336130784 184559056 22489718 39175972 25000244 149301824 224617648 10312824 0 325076320 492349792
2-hydroxyphenylacetate 0 383497 1319424 1054993 0 0 492935.0313 0 446067.0313 834807 1037046 911067 621772 1407386 882760.9375 0 381440 844882 723648 0 583838 938348 0 0 0 0 854503 489946 594431 523618 1891925 2771510 1096339 527446 0 837962.0625 722882 516368 368817.0313 0 0 0 2006245.125 1623651.125 0 0 1393417 184412 0 0 430603 0 962028 1806407 1518568 0 352977.9688 254019.0156 1218284 1152065 0 750483.9375 0 291472 1307320 1247141 2321710 1216763
2-isopropylmalate 4067243.75 1701784 445621.9688 2386910 1992764 3645214 143257104 103401808 2187145 7653484 551400 376904.0313 5038854 14304593 0 119140 698658 1473955 0 855847.0625 11955998 56048948 6121635 8150909 1431187 0 1772189.875 2049809.875 1898746 1853492 3850175 2358767 1179044 3748480 470255.9688 1011273 6066334.5 2926172 1738836 3058402 1087542 2604008 8882456 11154491 11023657 5190478 863458.0625 2714146 2549714 51385468 13507686 51350988 655857 2743531 218010 593086 7496457.5 9654904 1143344 171487264 67524296 27637054 386489 288120 918011.0625 1433102 270032 126657
2-keto-3-deoxy-gluconate 4276090 1751379.125 3698933 2998442 2812544.25 3144025.75 22215302 8554241 5358401 4347104 0 1912698 5587987.5 14718187 1258791 1876588 7397953 2999574 8290981 8768078 5413444 10721945 1932473 1316859 4174509 6819081 11148208 8887621 3223124 2868343.75 3961794 7180820 4267815 12342566 5411251.5 4126292 9208397 7495493.5 425459.9688 0 99683 7226842 4087612 3604437 23466890 18269898 11066796 6212095 4899551 39448680 15897693 64154788 6822020 18141476 3775483 1802697.125 5522965 7741028.5 4199188 6837419 1265402 2878252 880608.0625 1472931 0 1566916 1961384 5518237
2-linoleoylglycerol (18:2) 1575382 38528404 9985472 543333 8774822 14508638 17703272 42477892 10697431 5344680 9381329 14200989 65320036 2648862 2528938 1516132 0 1312669 3541744 9508336 8733616 3734071 23335040 7435620 0 48905632 674203 550128 275404 1408075 21709676 20924232 9356742 14368274 466018 2026718 23547154 14794472 2483229 2526273 4121197 1352391 76339848 145620304 47246364 34973436 1695768 22508598 2634934 24266500 9304480 20449336 119679008 153479120 1027348 0 3663762 1879744 18655678 4138004 2522734 11425247 6030721 2015339 1495462 11143548 799728 654897
2-methoxyacetaminophen sulfate* 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1705518.875 0 0 0 0 0 0 0 0 0 15669 0 0 0 0 0 0 0 0
2-methylcitrate/homocitrate 1911434 450096 981712 1095089 1188385 3536747.75 2576658 3592178.75 785792.0625 961155.9375 3865487 315788 2223093 2808897 1674358 0 590829 664993 138723 282044 822636.9375 931357 891869 334886 1676047 1404984 4188663 4462920 1452250 941864 273980 0 1869404 2161150 1517691 2606139 1500842 531815 2700872 3246029 1242561 3013817 202491 540850 1797232 1025315 2540321 1568570 2719114 5633785 2455128 2537100 1067732 1412610 852769.9375 0 2306474 2999281.75 841281 1462216 4764579 700672 0 564577 2068097.125 1098377 0 40228
2-methylserine 2546124 620252 1456137 401232 1250422 2348795 307699 219721 2632141 2301305 1865851 2160622 1563771 1461808 0 0 517638.9688 1406155 1941560 1953215 1126550 1237700 577330 1326240 432419 1881255 7458296 1897782.125 1968204.875 1568185 308027 1353823 1139048 1654013 1139558 464162 1350047 2309906 0 1778636 1841932 417380 3376848 5676809 0 1268024 4301637 3040124 519259 16422117 3165612 7374547 1030213 4462387 830028 0 7912742 1834747 2161356 2051751 537853 3709484 721314 747057 2352586 6706043 1125148 1396299
2-oleoylglycerol (18:1) 50176832 348486528 30778480 1850300 24345960 74972632 110614136 133260512 45818620 18021820 30170376 107417232 389677792 18606278 1014842.063 8018587 0 7414329 2747366 7113632 34023840 12081924 76482752 32962758 46480440 293346272 2170739 5002675 3512325 3916763 83998936 99489320 23508860 30971056 1490960 7814472.5 553253824 72461328 15692409 10146701 5642035 14939214 147931440 1601156608 185290096 109290432 8078415 91784576 12589907 35933588 55208024 74808080 149445264 504122080 6917402 0 15311744 20141024 34688740 8685054 22028964 176396704 17947640 15419312 12452531 33472414 13201645 6717387
2'-O-methyluridine 112142 0 0 0 136745 0 50983 25026 80055 105113.9922 0 51781 0 0 0 0 0 0 22135 87176 0 0 29991 0 0 83667 57504 59734 38373 21029 0 49130 67335 46069 0 47275 0 37889 87377 0 38684 98448 0 76835 0 0 186981 61600 0 247640 0 0 67117 155916 0 0 143661 61173 46906 0 0 80271 22804 27496 0 14074 75115 92809
2-oxindole-3-acetate 3693919 30623378 10802933 5779209 35070728 4044613 5500894 1713947 4470713 4769624 57595448 7108717 61761276 10859095 7205206 5588873 0 13431760 42893848 41445356 1216087 2213172 29148748 11611092 0 5847594 26992510 32477084 5375155 21398724 32027180 13866728 10221170 22174228 0 5281918 3094234 1894102 17542872 39457464 20901336 17907274 2101989 890402.0625 139366880 265330880 7744867 12092092 785573 0 3587983.75 546406 26064222 1891228 58019292 67300672 26409882 5675042 86982528 19646626 2898328 61023512 0 124201 9149088 6134337 983372 395462
2-oxo-1-pyrrolidinepropionate 359288 321083 633402 501465.9688 2501151 1350027 574349 125529 821757 990167 695386 1002749 515538.0313 947411.9375 599794 554705 1201541 1004527 277015 178286 1136508 1119309 763825 0 722925 1146543 794951 192024.0156 201061 1162526 407879 162677 582031 1036787 2486239 2403331 801169 933885 2164710 4417227 2593419 3173267 304759 256212.0156 1005861.063 1474258 514190 793979.0625 0 0 0 415006.0313 193225.9844 557860 969908 825466 1273074 1797781 2794873 2904271 355076 190389.9844 174264 1324299 277746 0 889307 1011654
2-oxoarginine* 2654347 400787 622996 517468 847853 1246985 1022845.938 928521 0 688678 964511 0 594863 1272658 0 348777 1219579 1861406 0 1554377 0 2598705 1543674 809263 0 3769194 1204775 251564 1059122 240799 1013004 934365 3099337 1362770 722577 0 229219 0 0 1100654 0 0 5265890 4423873 1678175 774550 4486567 2878299 918823 52677248 2055221 721241 285833 875738 0 0 1023192 1156985 0 1535956 1048661 1605253 0 0 998136 464095 641342 871162
2-palmitoylglycerol (16:0) 1684105 6110103 2350563 6984849 7721804 5216727 6040730 1501801 7428390.5 1425975 3113249.25 5417847 2506893 0 3429260 18813744 1319642 0 0 0 2430634 4724166 6874941 13941302 7340200.5 3967304 850994 0 0 0 49553156 6441213 0 9298111 0 0 5046179 3984869.75 0 3677875 6181511 3405485.25 3132722 48041688 2109731 0 0 1552337 0 13510437 16697061 10172454 18317866 4252872 0 0 0 2012535 8567114 1263518 60659360 5862232 704286 0 0 11970953 2390396 4009948.25
2-piperidinone 9530980 27242406 11846530 19338196 2008850 2362910 312151136 157042256 22693656 42947980 47165184 17028848 11757296 20005094 1491935 1392100 5784001 664281 28338120 14624709 355234400 330729824 267146880 202830144 27764766 0 0 6565908 125051016 25399010 21749340 29987274 17104644 130690888 0 5447831 211946112 2047335 2695695 0 0 15304335 27583350 6025140 125095800 0 3247090.75 18923384 145775152 1286014 1121133440 524760896 298396224 217599088 3269450 5353557 25541270 40105028 2482077 9557539 549419136 248923600 0 2960051 189416480 300584000 28223272 19137400
3-(2-hydroxyphenyl)propionate 618217 0 0 0 178409 120100 0 118848 271984 349916 0 0 1693980 1067465 66348 0 0 134302 0 419916 226349 0 0 0 0 0 1020082 167223 0 222107 0 0 169784.0156 382357 0 0 463215 0 0 0 0 162817 0 0 0 166175 274768 0 0 0 381446 0 0 248524 174562 0 342299 107000 817178 276005 0 0 0 0 0 0 257414 319905
3-(3-hydroxyphenyl)propionate 16135365 551741440 8546260 539737 316992 50453372 25998136 544785 180414512 39140288 95560056 36420904 3449253 59648688 16392748 1179601 616370 1395871 1853329 319632 173858704 63256480 325408 7751813.5 472097 323635 2753976 1583508 6614751 1021185 30887256 90273496 525826 1119263 462186 99702528 106552552 46658116 149093408 36323520 530262 3449341.25 0 59285088 290496800 5383277 1723167.875 1632241 13370646 0 28341764 625481 704395456 36968516 1176494 412859 1627413 2651521 10354936 169514272 74719912 123670176 185253 757626 184220176 77398976 2507655 49537256
3-(3-hydroxyphenyl)propionate sulfate 72053 706168 37407 0 0 1952044 72763 0 357009 58594.9961 364007 126995 0 146042 0 0 0 0 0 0 552312 1941171 0 0 0 0 0 0 0 0 120103 508735.0313 0 0 0 324988 972983 1571241 2902165 199340.9844 0 218201.9844 0 2436721 1666270 0 0 0 0 0 1066235 0 38075072 3787982 0 0 0 0 54126 2105218 543068 671914 0 0 108364.0078 185982 0 0
3-(4-hydroxyphenyl)lactate 703434 994114 257637 265176 894085 1106499 4033941 3099114 1185841 1952756 680119 541385 1325676 3055308 235416 0 761663 826361 1756126.875 2522637 13997278 12151648 194200 0 443304 705726 2398313 1250470 1264230 1014414 651244 560432 1447014 2683951 269551 389020 4176553 1087607 19781296 11033400 234668 2584903 1185054 4433623 901758 872663 1293923 1273860 1336917 1381506 2239861 7559855 3689897.25 6978149 941060 445978 4333622 6109282 2092210.125 1286623 3745797 37852644 768362 300697 1124279 2597852 1137876 734175.9375
3-(4-hydroxyphenyl)propionate 637761 1085365 306908 0 0 498631 656449 170233 3779316 358037 10910604 2876942 477860 1011775 2168452 0 196874 1005455 2945211 485598.9688 12945122 5202941 0 1507043 0 261936 360447 0 2632324 90490 14529169 17938248 181669 597679 0 1512919 5964297 5349410 16572215 7307491 96389 380508 52237100 40706052 16036743 396738 173597 205427.0156 3801077 0 9660795 4957057 18124384 58746696 378885 167274 303434 1043724 325567 2320629 7034700 15834144 0 0 158212000 119115712 298735 1702660
3-(cystein-S-yl)acetaminophen* 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 355304 0 0 0 0 0 0 0 0 0 0 0 0 0 110269 0 0 0 0 0 0 0 0 0 0 0 115526200 0 0 0 0 0 0 0 0 112717 384872 0 0 0 0 530480 0 0 0
3-(N-acetyl-L-cystein-S-yl) acetaminophen 0 0 0 0 0 0 0 0 67300 0 0 0 0 0 0 0 0 0 0 0 120472 967564 0 55660 0 0 0 0 0 0 36008 0 0 0 0 0 158572 0 0 0 0 0 0 0 0 0 0 0 0 2657048 0 0 0 0 0 0 0 0 907185 900151 0 0 0 0 55511 0 0 0
3,4-dihydroxybenzoate 1466914 1963708 793459 642062 422619 531060 1736116.125 1332846 0 1185083 474566 792308 13420524 314887 0 160214 922638 499052 0 2204863 171236 146067 0 130362 0 38317 77744 216214 210076 240287 235928.9844 190959 1852939.125 0 502534 469191 2741295 588618 1106258 1048526.938 4083119 4766407 605192 1045618.938 1678627 1502815 253302 1441193 100345 0 738753 617594 743388 130624 2100857 1568348 1089650 619671 567745 2348662 678593.0625 552696 633152 896840.0625 0 696557.0625 0 0
3,4-dihydroxyphenylacetate 212910 741127 0 0 0 64489 817257 253645 0 0 113061.9922 0 66250 66722 0 0 0 0 0 0 0 0 0 0 0 0 0 0 59460.0039 0 0 161037 0 0 0 0 926816.0625 545725 0 0 0 0 1032815.938 0 299212 128845.9922 0 0 0 0 365199 141883 2558566 3784419.25 0 0 0 174067 0 2121635 0 179964 0 0 951688 825331 0 0
3,5-dihydroxybenzoic acid 0 0 48825 0 274177 117280 0 0 0 0 127350 449798 0 373003 0 115905 0 192417 0 0 284571 563351 0 124801.9922 249953.9844 487031 0 135888 0 0 270290 201521 0 0 0 258093.9844 0 50937 415791 336277 0 0 147846 0 0 0 100873 493838 478780 0 0 247588 196937 0 0 0 342733 222086 0 0 248234.9844 348477 241954 0 0 0 0 0
3,7-dimethylurate 416004 1198879 2003271.875 8094760 8309474 1634070 20753048 3166655 1041724.063 1508176 6629488 13856076 8318949 8413964 5197574 5323718 3834025.25 1087795 1883623 68478 1215580 3418616 1095506 1223276 67626 1254427 351213 493871.0313 672917 204572 2363966 6693073 5540554 1912284 42457 104931 2762711 10552621 1954598 1508560 38756 489886.9688 227727 4720785 5048923 4830169 2314123 730294 2059298 115773.9922 7237631.5 5135822 351403 213620 448072 1321502 6048282 2923446 3141346 3909744 8523678 2789450 95399 58150.0039 68644 76596 0 129359
3-aminoisobutyrate 0 0 693592 1721939.125 433182 281073 11854843 5677072 2099429 1662005 20166216 36961404 0 0 630986 339865 572196 313861 3114597 556437 36841916 38051952 764726 0 0 1074529 458511.9688 0 981839 0 4174282 7579154 321828 804949 0 596229 13956986 10455458 46574672 36870904 0 5837538 6563042 6424632.5 1633039 723020 6441805 11527118 1669956.125 523264 11309605 5684212 10606313 4805398 0 518893.9688 0 0 0 752751 2157686 3353822 0 0 2329954 1387690 866877.9375 521308
3beta-hydroxy-5-cholestenoate 0 61858 2864243 1710270.875 0 518408.0313 91161 139091 311797 138300 775872 611073 1263762 825367 0 0 0 0 193447 278751 0 0 1122991 3759365.75 0 0 0 196285 0 0 0 772073 68213 0 100706 266872 143933 267343 0 0 0 0 0 885328 318313 339361 256401 853124 0 221305 537300 249396 1431225 139757 0 0 335057 0 633341 0 162605 75556 0 0 0 153789 1121740 1509473
3b-hydroxy-5-cholenoic acid 1573516.125 2007463.875 7848498.5 5631710 1466907 422209.9688 1188149 799512 278613 588395 1394666 695494 1738628 3529246 596157 584862 908636 1015678 2705405 1635945.125 922543.0625 0 1207960 1575229 622475 194107 254482.9844 0 1316059 1235874 1291647 2427333 1610996 733603 1571224 2059016 367003 477554 398650 316486 769466 884984.9375 709494 866183.9375 810760 603170 13819955 768881 191257 83405 1451600 1359652 763042 688517 350428 255160.9844 653526 493962 5693961 1715970 895567 522941.9688 351824 735678 2738753 1251253 3972901.25 1885969.125
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 0 0 0 0 0 0 0 0 47742 134023 0 0 0 0 0 0 0 0 81454 0 0 0 0 0 55212 0 0 0 0 30034 0 0 0 0 0 0 0 0 0 0 0 0 105941.9922 0 0 0 254013 87255 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
3-carboxyadipate 1318940 405032.0313 2515775 3732508 185475 1043410 610270 407185 255158 360335 783534 696381 5954084.5 1206313 1990290 1175360 671424 600338 288668 0 1789391 1243792 514072 263427 368602 261425 1193750 1324917 1623921.125 1215007 1436193 1715454 703664.9375 733014 5745890 7120460 270205 150364 1246341 1275449 1673426 1896557.875 87345 183063 2540496 5450736 533178 7218455 435516 18977 109759.0078 106154.9922 388678 381709 487359 5145867 15065737 1166150 2102153 2764115 508598 129862 1101090 805490 786822 231695 0 34157
3-dehydrocholate 0 0 0 0 0 0 7892138 459214.9688 5742013 286628 0 0 0 112781.9922 0 0 0 339297 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 205224 0 0 6200474 2157162 0 0 0 0 2836875 15505057 0 0 1454530 0 0 0 32787614 14630741 3410179 10172793 0 0 0 174633 0 0 222229.0156 268208 0 0 0 0 2571232 0
3-hydroxy-2-ethylpropionate 0 0 0 0 0 0 248229 0 0 92728 0 0 166412 56775 0 0 0 0 0 0 0 102956 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 93836 0 0 96727 0 0 0 0 0 0 60091.9961 0 0 0 0 0 0 0 0 0 62360 0 0 0 0 93093 102269.0078
3-hydroxy-3-methylglutarate 49434080 15108744 3401906 42121588 23721760 13461041 136214048 81676704 21890840 11945071 27670734 13590041 19235684 36333344 975492.0625 24841396 9122840 70706768 8549689 23819850 42792360 99708744 14175488 17686886 12569630 37256472 56649220 71713312 13774981 20345398 554685 86427744 21838786 31166570 16778056 22853324 59065572 31767570 26028182 91899312 4850546 9426932 66680476 80165720 33405082 12773475 9654939 26288652 6066030 15324054 45266024 363956864 10154439 691617152 54042296 66956448 13083011 34074552 11260323 54148256 24593980 16822868 7796240.5 24616506 155076320 70372712 616471 1472711
3-hydroxybutyrate (BHBA) 260311.9844 2116179 0 1505418 194056 398188 1457790 289944 0 0 304806 183632 981556 2741172 209711 0 1100735 206410 226768 515491.9688 624344 549487 368521 0 184182 178559 956755 778177 1054081 213604 319435 346732 779356 6482944 0 0 2823831 219281 135701 0 417773 388263 2474953 0 1579481 555663 230708 495506 460568 452943 1386228 4090591.75 342093 4344003 127812 0 2081440 736247 306745 1088171 815937 254736.0156 356617 444882 626172 221680 2154659 1043016.063
3-hydroxycinnamate 0 121813 0 0 0 0 0 0 219826 198214 0 85783 0 0 0 0 0 0 0 85266 221954 1207388 0 0 0 0 0 0 0 0 0 184856 0 0 0 0 0 0 535213 0 105308 107094 0 0 0 0 0 0 124658 0 0 0 642719 0 0 0 0 0 72087 0 0 0 0 0 124625 0 0 83559
3-hydroxydecanoate 99505 120071 86104 0 0 0 0 0 207443 148597 0 0 89034 92537 0 102341.9922 0 56295 72394 0 135690 103404 0 0 59612 0 0 0 0 33414 0 0 91816 55395 0 0 112171.9922 108124 85654 0 59603.0039 0 120602.9922 184280 135127 126946 76440 133507 86021 177765 154578 0 136379 133576 72971 0 0 75929 0 41782 0 151026 48394 0 84901 162820 143035 186562
3-hydroxyhexanoate 174290 142345 99437 92934.0078 0 0 104950 84007 220879 615397 110433 0 0 205965 0 0 0 0 0 0 569263 299590 0 0 0 0 0 0 114744 0 0 128730 0 43856 0 0 110547.0078 139605 127028.9922 0 0 0 0 194749 240353 66964 285893 0 0 0 416616 0 177407 191353 0 0 0 0 0 86498 184135 225420.0156 0 0 0 87788 0 0
3-hydroxyhippurate 69901 0 0 0 22024 0 0 0 0 0 0 0 0 0 47333 0 0 0 0 0 0 3928832 0 0 0 0 34033 0 0 0 0 0 0 0 0 0 0 0 4136569 1347989 0 3513056 45463 0 0 0 0 0 27419 0 0 0 68239 0 0 191005 0 0 1206408 0 0 0 0 0 0 0 0 0
3-hydroxyisobutyrate 0 134520 0 0 0 0 561176 644805 0 0 0 0 0 0 0 0 0 0 0 0 499385.0313 446754 0 0 0 0 0 0 0 0 0 0 0 0 0 0 554059 406593 395610 138827 0 0 354304 794482 0 0 0 0 0 1157934 1642007 1054934 377932 396488 0 0 0 0 0 0 0 0 0 0 0 0 0 0
3-hydroxylaurate 274225 244958 385738 253308.0156 272029 151178 223430 130338.9922 565506 456121 148451 159825 251993 138538 142044 120630.0078 177394 95557 308792 370882 375198 529856 271817 246574 213649 89661 133303 290807 606209 442300 146899 219765 169866 161285 142522 546369 401290 900669 167565 161389 175207 208575 215253 489406.0313 350223 384468 263000 648896 212374 229753 1317658 857869 321999 349651 157776 115025 212031 158502 192669 195403 201413 555640 96051 146884 204107 785292 564980 770542
3-hydroxyoctanoate 0 0 0 0 0 0 0 62778.9961 157757 176618 0 0 0 95032 0 45591 0 0 0 0 0 0 0 0 0 0 0 0 86075 0 0 67680 0 0 0 0 58584 109805 0 0 0 0 79721 187092 160788 83566 87407 160674 0 0 76463 64461 151392 95442 0 0 90817 0 0 96014 2265882 467246 0 0 123183.9922 0 85716 118310
3-hydroxypalmitate 0 0 353404960 0 0 43157156 30553800 25815000 0 0 48925764 0 0 0 0 0 0 0 0 0 22369740 9856281 188579680 417219232 858815 0 0 0 0 0 0 0 0 0 0 0 9231942 7921833 0 0 51991780 0 791751 156675392 0 0 1105471 65208660 230522032 0 72335520 8549936 104595032 16642514 0 0 0 0 0 0 86672208 27910396 0 0 3283257 65685640 0 0
3-hydroxyphenylacetate 4334849 682796 503608 249938 1442730 1827773 0 0 2979569 4907190 537607 544813 8133378 2481970 0 0 255461 2207716 0 760354 0 0 382785 307369 342042.9688 460000 3935790 583333 0 0 725710 1684523 1531324 1401359 0 0 0 0 256401 0 302255 1132608 0 3413486 2674511 577204 438901 994311 0 0 0 0 0 0 1701653 0 1469590 1759383 1182959 2726082 0 1005035 0 0 0 0 0 0
3-hydroxypyridine 1182493 2191322 579848 897799 672023 541502 449805 265129 528133 586069 280838 311394 637305 381272 471153 195205 698417.9375 326673 562628 236677 1125667 3079433 0 255068 0 0 459976.9688 445539 663198 1359592 0 263521 516323 494154 483927 569136 0 288239 2269608 587194 779331 5166358.5 0 0 368462 329325.0313 612964 1931301 125920 0 288426 0 720135 0 415396 331557 515389 526166 4299031 932972 614748 293482 633829.9375 1364200 382805 446354 711866 1610015
3-hydroxyquinine 96000 0 0 0 0 0 0 0 2325094.25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1134909 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
3-hydroxysebacate 242724.0156 347646 363253 721480 1031172.938 634674 3165226 366220 217707 355205 1235915 1330171 1127938 771663 905784 938945 0 63939 1387126 410608 178626 240071 454619.0313 1583910 0 230446 90931 0 107798 330029 702010 1326586 737198 512294.0313 0 420226 426089 517739.0313 690917 779330 0 181919 69607 557821 1990928 3092612 770417 1152219 418454 107433 704317 442826 237796 326157 0 0 948524 785847 647689 707249 1681733 392729 114177 0 125925 152217 0 0
3-hydroxysuberate 2011629 999619 1160199.125 864305 708076 1189402.875 1426204 1094265 1312328 1880066 2782392 1747403 1008993 1009065 1513218 1328822 880024 508599 1743470 3159577 1085283 1326317 1079993 2970775 2006556 1071075 2679031 1784981 1132891 1031394 776383 1357972.125 1435499 1445952 592910 1006088.938 399716 945347 1434613 2090869 864626 1272063 0 718049 1183985 871136 2142706 1042698 2782493 0 580893 266539 552850 557221 1140254 1643487 1651466 2979488 625037 1160900.875 2689669 3035709 1074104 1124642 1422896 1193349 0 0
3-hydroxyvalerate 0 0 0 0 0 0 0 0 0 0 144443 0 0 0 0 0 0 0 0 0 0 0 205714 128882 0 0 0 0 0 0 0 0 0 0 0 0 129420 0 0 0 0 0 0 955049 0 0 137765 0 0 0 0 0 0 0 0 0 0 0 0 0 107812 95416 0 0 241449 0 0 0
3-indoxyl sulfate 0 0 0 0 0 30219 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2449076 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5919760 1029833 0 4793299 0 65776 0 0 0 0 0 0 131923 41739 0 35174 0 51462 0 0 786915 36921.0039 0 0 0 0 0 0 0 0
3-ketosphinganine 666613 630182 1710335 2434621 771945 11669567 2207979 1385919 2878714 1671698 4051446 1703925 1088939 3034371 1728499 1323750 2365963 652137 1787692 922046 23887560 24786700 239224 9858567 457375.0313 1186714 1300140 2431568 884782.9375 1623661 2403867 2986806 1422817 2336192 4357904 3190671 3275168 3512356 1969874.875 1030333.063 1873111 2736655 1731793 1036708.938 2436139 1504890 11775417 14725461 640344 0 19213252 40250032 18554376 7353687.5 1971100 4871045 2875622 2603861 1371446 1360395 1895649 474132 0 1044353 2975108 4239326 882021 449233
3-methyl-2-oxobutyrate 1531480.125 0 1046877 1243691 217517 309024 510460 1693915 406437 1018769.938 315184 0 322805 598359 0 0 608496 0 239992.0156 573575 1646618 2036583 419402 0 1125325 8349161.5 650578 299742 347249 339925 547651 416009 687991 0 3364337 1024048.938 294878 448782.0313 1288075 494531 0 0 1501931.125 4719461 359457.0313 0 2886543 12428965 1016985 507744 653142 293999 1027137 1135697 162531 0 252462 451412 0 0 375541 319816 0 234761 839700.0625 552756 0 0
3-methyl-2-oxovalerate 5777091 0 1742741 2534330 860397 899955 1398241 2055365 1613920 3587097 467549.0313 0 582467 2171493 697288 0 1554401 690045 472978 1579378 2075083 4730618 1244843 469995.9688 2240915 16970152 1269106 849422 1051541 1337491 728630 1262661 1807409 433576 6151306 3173509.25 621424 903009 4047464.25 1181626 327563 357341 1017416 4354005 678795 0 6648693 33429140 2575168 0 1878697 411719 3086035 1877635.125 0 0 1233291 1799651.875 552236 588009 387906 653451 163798 0 843634.0625 1847056 0 0
3-methyladipate 1643563 475895 521784 741332 9281444 1147680 611553 841121 1250466 1019555 1930515 1328637 1105639 4048427 580455 706035 23385608 8722471 827339 801551 1439187 1108609 962913 1356455 22309636 1062040 5366517 6088010 1302530 2021785 636276 827787 870169 1040416 20170768 11486296 457473 465342.9688 1485428 0 19306354 32578452 0 288909 899427 594989 283639 1011717 2178082 0 379454 366953 844385 1096802 1072824 1121032 790861 1280081 787573 860713 641832 756231 26799338 18293828 2940378 2697139 0 0
3-methylglutaconate 0 0 0 0 0 0 849623 276619 0 0 0 0 0 159201 0 0 0 0 0 0 0 0 0 249680 0 0 0 0 0 0 0 0 0 0 0 0 0 152385 235614 0 0 104783 0 0 0 0 0 0 0 0 0 331978 0 0 0 0 0 75430 0 812789 411244 247574 0 0 0 0 0 0
3-methylglutarate/2-methylglutarate 4369662 2097935 13309482 10391734 3851304 3346698 2757916 1836177 3625855 4551053 2609812 2874224 3322233 3205552 4313184 4138729.25 5946287 2378485 7683095.5 6036566 6561769 5420749 15719775 10433361 11277032 7042282 12788325 12515570 6941129 11785940 11134483 3779010.75 4988910 4080290.75 11415608 11999257 1871646 1716444 9314699 13937670 4472705 13428865 0 2755075 4392393 3142127 2972817 5893783 2901015 1410108 1234820 1089304 2231309 1159082 10050078 13597722 4886196 5338839 3008823 3403464 3347346 1261425 3753135 6730085 6811655 5621219 296821 326648
3-methylhistidine 8004533 10940882 0 1363983 4052595 16117926 5919959 4067343 2568664 4343541 13695162 3971471.75 499208 1275405 0 0 902463 4151119 723032.9375 6378542.5 35978572 8450365 14905463 0 3130066 1944597 14230181 16439146 12592250 3029052 7608326.5 24168272 74518936 160018032 1869108 1225972 48804724 2845989 25513960 2891953 5618976 4844934 10180667 110092784 8935025 0 33933876 1706271 386755 0 155099456 0 7743752 12009726 1835299 3730041 8460104 74016304 2090253 945473 2784923.75 12184836 1795772.875 2191893 24677956 599721 1787820 4072178.75
3-methylurate* 0 0 30905 205587.9844 0 0 1506258 141802 39487 56994 42212 231510 657612 436211 159720 69364 22545 239977 38263 0 53380.0039 397533.0313 0 0 0 0 0 0 58702.0039 63357.0039 46969 161809 144835 12651.001 46295 0 370319 928075 97349 28569 0 98938 0 222950.0156 1066843 1722365 132586 82045 215208 0 78695 106350 0 0 0 0 154406 54275 47090 169401 706096 62043 0 40669 0 0 0 19427
3-methylxanthine 0 0 374444 853335 0 4024912 10119442 1858749 383115 665753 844102 1610793 6953906.5 3775529 1232281 569658 0 2164567 0 0 784276.0625 1564737 0 0 0 0 0 0 188794 0 1146279 2050788 1086118 538617 0 0 3519599 8962398 882416 464725 0 1722074 0 4317000 8503463 10500736 1918663 467344 773840 1587115 1006258 1360465 595925 0 0 0 1075404 677343 0 3485184 5291394 1175347 0 0 0 855263 0 0
3-phenylpropionate (hydrocinnamate) 139225504 50002796 9259389 4222239 19858904 35881032 40836292 13641228 32050294 94955848 2075673 915701 105030480 185884688 1855533 7048979 14902774 40290684 27423232 41108760 9814997 5312356 7796158.5 413115 2703040 10115772 108516920 48167312 37482128 24780374 1631160 3613029 18357734 19241360 1975620 2601751 2412710 1089509 675509 403177 18469056 38673512 2305411 7391857 845350 41518068 53395592 29336976 670371 0 716139.9375 1442403.125 1294362 2000801 24205672 12730533 107113560 44801896 167546016 93363472 218310.0156 0 2071871.875 8715231 2698647 2918440 70141680 126109824
3-sulfo-L-alanine 943834 618241 227225 595884 292863 409931 332282 466354 284460 231511 126133 239075 184797 181100 0 32275 1212717 376233 353557 203251.0156 761422 4645050 890210 331643 208080 1267195 234625 168778 119930 150961 274510 217715 1466878 872330 90236 102671 273978 206061 867447 83623 332709 700041 207418 1639426 70292 0 544681 697297 226386 163658 1580197 645324 456505 132930 1258945 76597 301771 357242 684809 754957 433791 2333519 60374.9961 160994 233950 405278 0 89547
3-ureidopropionate 183378 297491 50736 208773 367482 345079 18048384 5071110 1066060 627498 4783280 245810 131474 260562 79339 115947 75032 70466 407949 197793 45953944 11141855 112039 365472 0 482987 144537 147793 655431 199963 332795 796493 196267 1096398 158476 112336.0078 10242106 7115631 1053889 58153 92909 438366.9688 3316464 369114 2826537 2209274 189321 155285 189819 128315 2287695 6031235 9651920 35013304 253405.9844 129796 325679 493029 233914 165019 11182906 19470404 0 101130.0078 274765 3586556 540861 249363.9844
4-acetamidobenzoate 24574880 298946 0 21347 0 131804 73068 111293 130511.0078 371779 68821 0 104429 82480 25229 0 635095 910312 0 0 71695 0 0 126330 892026 882060 114244 0 0 47023 85276 227739 245575 218202 0 100359 108856 82217 0 0 22595 204393 0 57423 0 0 99858 239398 180113 30994 0 33468 0 74049 0 79623 0 0 205141 237133 151710 205988 0 0 0 0 184416 112308
4-acetamidobutanoate 2044072 2117992 0 1142505 808749 8053031 5535351 4523435 2345920 1416188 9785032 5450098 5672747 4844464 4318735 630540 710059 1011100 0 1370096 5225587 4665158 3138989 3899883.25 272219 0 23684284 14045615 1891145 4359024 743578 1047395.063 1477420 5540584 115450 0 10853066 22120412 16354859 12460151 617255 6393131 1943399.875 5370267 1665094 2834373 5721934 0 7793931.5 1976441 5867256 6404254 2506033 3549494 1195778 854696 1309668 529697 4933804 5476394 8920487 5673045 414454 794871 21381784 19575500 2884763 1367925
4-acetamidophenol 263909 0 6658209.5 39452 0 0 63010 0 1100764 1215977 0 308618 0 0 298426 0 205050 0 0 0 2250862 12014657 0 908429.9375 0 79497 0 0 0 0 2787283 0 75397 0 0 0 158015 0 0 0 0 0 92628 0 0 0 0 0 0 0 0 0 0 0 0 0 158105 0 19177550 51072844 0 43673 72880 0 3958271 0 0 0
4-acetamidophenylglucuronide 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2756337 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
4-acetaminophen sulfate 0 0 88791 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 37025 1773279 0 0 0 0 0 0 0 0 79787.0078 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 75327 0 0 0 0 0 0 0 0 389402 22072210 0 0 0 0 0 0 0 0
4-cholesten-3-one 480863936 136537616 554437248 1133610624 156126240 22937092 20265452 4603048 157747008 176638768 10934289 90885744 29307732 48826284 309786688 163214560 137448480 29065128 960294016 1170327936 10993984 18149062 43018648 15354531 185294096 153259152 335734240 193214112 145529488 163131440 39818972 58668552 137527632 129700416 1251255680 857750656 6582132 6927186.5 485735072 349821184 116014048 39860436 1879999.875 9559113 59250908 41620056 9376602 54021180 71095504 4249883 6530731 4481598 5466331 4869947.5 165507328 112796640 268069216 1323100544 526449856 116371168 6416395 12986658 135520144 74186552 30816436 2260614 89564536 87034568
4-ethylphenylsulfate 0 0 0 0 0 0 0 0 105878 189169 0 0 0 0 0 0 0 39159 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 55328 0 0 0 0 0 0 0 0 0 0 0 83765 0 0 0 0 0 0 0 0 0 0 0 0 0
4-guanidinobutanoate 8890819 6686592 925293 1716449 5791425 11620936 17575828 17797244 5618359 4269317 23465356 47698996 6425568 7021734 6111021 510873 18822042 10747071 2009709 2841615 9072050 2599220 3845916 34167964 20451364 4103179.75 4597133 1563246 2589236 1758463 2092905.875 5714489 3633285 9068413 4389182 4352924 34625984 14238754 6925372 2895769 4337028 13139957 17907362 25834008 14157612 7351543 8640310 5537862 7337435 17336404 21066766 10040930 8289909 17162564 3943486 2992136 12634255 7779110 2896804 7700373 46153404 38619092 2486972 5781618 69733640 60757452 19877476 17617482
4-hydroxybenzoate 682279 2264844 0 0 0 0 231039 0 258943 0 1163112 0 0 393104 0 0 438123.0313 529213 0 282409 0 562982 0 0 371630.0313 0 349155.9688 0 1652793 0 662073 0 0 269950 0 0 2846264 402042 348469 0 760185 976558 5440572 3841111 447861.0313 682627 0 0 0 0 1490725 2546644 3134364 4767653 503450 526449 2933306 815716 568318 3845070.75 0 261777 0 0 4056632 5922342.5 386346 212236
4-hydroxybenzyl alcohol 99339 136172 0 0 0 0 109481 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 171148 114444 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 139274 0 220345 147460 0 0 0 0 0 195129 0 0 0 249752 121030 0 0
4-hydroxychlorothalonil 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 39868.0039 0 0 0 0 0 0 0 0 0 0 0 34190 0 0 0 0 0 0 0 0 42667 21662 0 0 34483 0 0 0 0 0 0 0 0 0 26812 0 0 0 0 0 0 0 0 0 0 0
4-hydroxycinnamate 261136 117332.0078 0 0 313622 0 280578 389162 416510 111612 405061 154480 0 550286 449618 0 0 7655496.5 0 0 0 785136 0 0 56697 404788 270972 157990 0 0 0 263966 74566 256787 0 0 158779 0 531582 2319250 458231 187232 3419464 1243141 364816 0 106454 0 261840.9844 0 720844 733873 1362864 1824916.875 1584702 4006539 1183395 652357 425676 237578 64308.0039 777413 0 0 580962 542240 0 0
4-hydroxycyclohexylcarboxylic acid 9567631 5119461 0 0 1175695 0 0 0 0 628803 0 0 18982306 781343 701558 0 5230979 1879268 5117467 0 0 0 0 0 1605428 0 1562230 1608362 763089 2293425 0 0 0 0 4274060 12177267 0 0 5031812 1596890 2763580 2842781 0 0 697183 1015886 0 0 0 0 2366245 0 0 0 0 0 0 3943760 6369974 13150603 0 0 679307.9375 3309902 0 0 8607827 3297044
4-hydroxyglutamate 0 39077 0 158825 200744 385540 470003.9688 308164 138880 267636 285340 0 335946 0 0 0 0 0 0 0 211654 160873 326679 0 0 0 469600 0 224686 0 0 0 0 610651.0625 0 0 741793 271692 0 503512 0 0 0 133887 0 80169 242166 140640 189369 0 368615 508684 288348 177598 130135 0 486325 545960 0 0 312612 0 0 0 639159 251619 0 0
4-hydroxyhippurate 57218 0 0 0 40280 17297 0 0 0 0 0 0 22744 0 26307 0 20270 18408 0 0 0 544212 0 0 18106 0 0 0 54532 66899 0 0 44466 0 34298 71487 0 0 1054206 675369 0 2342141 165855 0 0 0 0 27788 69773.9922 1367822 102248 460830 0 343960 0 87742 23231.002 17361 540515 0 0 0 33138 30836 0 0 0 0
4-hydroxyphenylacetate 4685471 1400822 0 0 1508943 7372214 2922509 715415 4872262 1863370 5193905 1176824 2369511 1003710 1046550 0 943251 459856 1245693 1728325.875 0 1407860 2018553 10531805 0 0 1639418 0 1724028 781137 0 2026658 0 980639 0 2553942 61566096 4215327 1240319 0 0 1722021 3643544 4691268 0 0 4183099 2933120.75 0 0 17057532 3564513 29071304 5065836 0 0 1287601.125 1489778 4931100 1129091 1027460 2769400 0 0 15952377 28332176 3379933 2083403
4-hydroxyphenylpyruvate 1141917 229800.9844 511200 578932 244687 116016 291040 358739 500897 1020159 153162 106080 150939 506611 540841 329634 345580 0 252707 453999 550863 927268.9375 249703 0 254612 3414768 392635 199898 152749 98606 262133 472014.9688 854615 148416 636588 358191 302428 297854 464108 173961 126602 0 479134 1179000 126103 116220 1204761 6279015 895860 143432 535398 181742 1181627 330293 120265.0078 0 266128 320683 0 0 163887 404561 42442 109613 509776 370870.0313 0 0
4-imidazoleacetate 627940 1108865 4900883 6146665 8392791 3554881 3677920.75 4200551 8071585 9903243 1931897 7116599 7972474 5404581 3023850 8090409 4440904 1028801 8659490 6363384 1497806 1873899 6263761 2984251 5060767 472023 11075167 6371486 931660 0 5022018 3829463 1269348 3787720 603905 837982 1881244 5705364 3997836 7476566 2270451 1887145 1800327.125 2852333 5705300 1382722 5436397 5488746 18601976 592992 2420217 668536 4017797 4059055 3884773 534523 7132282 5256920 3141306 1474568 5103746 5170376 1370115 3173887 6929404 3153188 1539590 1874990
4-methyl-2-oxopentanoate 11990728 0 2640899 3419402 1309786 1107460 1827166.875 2787670 4285971 7678478 866602 447391.9688 904355 3918936 1190839 0 3268335.25 1039014 1098550 2209217 3881880 5986840 2252851 0 4106606 25035082 2719469 1523446 1520058 1779848 2614169.25 1660394 3669396 564996 6398441 3218588.75 1336798 1514709 5411342 1405922 369883 456110 2743999 7113635 747090.0625 406638 12298161 45074344 3223577 0 4548041 506253 3863478 2617993 0 0 1554727 1755897 1151071 950222.9375 550830 1679383 0 0 1427332 1693713.125 551476 440253
4-methylcatechol sulfate 1485261 22281 32326.998 0 0 303127 167363 86185 0 0 46836 22078 95903 0 0 0 0 20313 0 0 123505 319202 19263 0 0 0 0 0 0 0 391903 511260.9688 61972.9961 230556.0156 0 0 193856 380619 307139 121002.0078 88820 1755519 0 0 200351 23916 70327 25285 0 0 499273 114281 2576162 6086877 176382 0 0 0 91692 732371 555028 730521 0 0 129904.9922 0 0 0
4-methylthio-2-oxobutanoate 73051 0 43275 45928 0 0 0 0 19505 63348 0 0 0 71524 0 0 0 0 0 40089 0 45882 0 0 54520.0039 347761 0 0 0 0 0 0 76383 0 44046 0 0 0 23339 0 0 0 20917 135440 0 0 121322 485075 40612 0 22593 0 27605 23442 0 0 0 0 0 0 0 0 0 0 63327 0 0 0
4-oxo-retinoic acid 0 88608 231923 180515 158201 82805 0 107668 0 0 211242 0 256767 261659.9844 301991 144697 0 168772 340805.0313 163590 168161 115980 0 354212 53109 0 94355 0 0 0 169991 0 258216 368761.9688 0 37547 0 189006 0 0 88478 0 0 0 250326 0 236650 0 39671 0 0 0 0 0 232669 70091 0 109557 272698 176944.0156 75811 110959 0 0 211655 544912 0 0
4-ureidobutyrate 8022180 2554931 1000899.063 822702 7602770.5 4240699 2611271 4833418 5687007 8402131 4286013 11465860 7499214.5 4899053 435876 804341.0625 5831015 1923686 2014558 7031523.5 2369542 6671507 40210304 8026812 5471285.5 3483167 9044491 6398428 3973446 2900090.25 805165 1466828 7603961 10433291 4002898 10611682 7179125 9432160 2878630 2011580.875 8206156.5 6116644 961657.9375 11921114 3123177 2357211 4270194 3706019 7230131 5080296 5457983 2236086 12232430 1593519 6642892 2705676 7375747 10013634 7567812.5 3647179.25 3554716 5374552 1514840 4728822 3145071 3837316 8007789 16512088
5-(2-Hydroxyethyl)-4-methylthiazole 15713667 107915 283584 742229 254242.9844 355730 225550 0 0 546936 419832 564953 226178 263948 578979 1518448 150214 0 393346 446608 0 316419 348048 190011 1679869 3117737 694397 5107489 3783400 17422786 0 369339 1092946 1576964 1265096 344869 0 0 112945 0 114066 0 0 0 0 0 0 277600 0 0 0 0 224350 0 0 0 580063 1253065 526610 0 55647 0 0 3255409 102177 165216 460786 589902
5-acetylamino-6-amino-3-methyluracil 38146412 24474862 22176588 44488148 17859096 17841608 5754625 1248380 4180879 8170218 6817204 21408668 8811883 11491243 19652192 30865982 18323324 8275507 1241716 395264 45587880 33216326 1441398 908327 520927 364542 2421855 2110882 20175214 10067661 4898718 4783732 929426 545119 31103360 35421440 628728 1167879 11346799 7990994 10940647 12002853 0 9850730 13295631 7728108 7585921 9552754 773204 0 1005686 0 21240410 7895105 3477147 26140320 12716703 6901876 18402852 10773740 2771236 5741462 21878636 20909574 3429453 2830347 0 461593
5-acetylamino-6-formylamino-3-methyluracil 8865994 8902603 1493564 827768 1646644 3338873 1723940 710490.0625 787174 1539280 371225 303682 1311349 1559167 0 0 158751 3291674 0 0 12684855 10127104 0 0 0 0 1157332 789645 1666053 491442 950182 1268931 0 44635 0 1075447 253111 570695 1095707 798246 1030770 1214209 323290 3553111 6569697.5 2681255.25 764953 871770 0 0 339726 1786507 20412062 11028466 176916 627905 4462018 2089663 3996237 3062263 174047 1021622 488503 272592 8204980 3918641 0 0
5alpha-androstan-3alpha,17alpha-diol disulfate 83714 139571 133478 0 0 528842 330695 0 489763 145657 351213 128416 0 0 0 0 0 0 0 0 27241.002 46941 736737 398948 0 59436 204290 215001 0 0 122617 149861 0 0 0 155936 42277 37103 130762 0 0 0 199783 252272 58807 0 152301 621700 0 89737 684664.0625 579963 578352 545532 0 0 583788 258039 0 0 524984 156934.0156 0 0 395806 334623 0 0
5alpha-androstan-3alpha,17alpha-diol monosulfate 64983 0 266401 81578.0078 0 497929 151196 81496 393302 237605 66558 134850 52041 42653 45088 0 0 0 0 27981 31226 0 251047.0156 192387 0 0 228736.9844 288129 102077 138702 143489 123392 527482 0 0 0 0 19501 0 0 273915 883590 133022 147204 106568 0 47085 294536 0 0 372912.9688 208021 177236.0156 169036 0 0 255021 184958 63565 32772 224308 267255 25522 0 106080 0 52564 65716
5alpha-androstan-3alpha,17beta-diol disulfate 97861 257320 226130 32799 0 529333 502033 128371 1699488 198019 815915 0 0 0 0 0 0 0 0 0 43182 69305.0078 1046273 713258 0 0 893043 450346 0 0 148698 255225 89811 154482 0 532123 0 0 174469 0 0 0 935474 1164533.125 0 0 325837 1253723 0 87510 2310216 1417636.125 824230 1218207 0 0 1868965 660327 0 31053 1128224 508378 0 0 4673280 2903618 0 0
5alpha-androstan-3alpha,17beta-diol monosulfate (1) 79846 152988 0 0 0 747409 215148 133104 1729709 433154.9688 399305.0313 0 0 0 0 0 0 0 0 0 114817 219574 213523 497800 0 50039 115692 68016 0 0 0 26623.998 124456 71116 0 27182 28244 0 192609.0156 0 0 0 210268 192795 0 0 150458 1973222.125 0 0 2680035 1738730 1085005 800480 0 0 618805 508072 0 0 1299060 1063366 0 0 856788 776793.0625 193610 228318
5alpha-androstan-3beta,17alpha-diol disulfate 0 0 0 0 0 636234 78035 62505 104735.0078 101745 0 0 0 0 56319.0039 0 0 0 0 0 0 0 210230 142745 0 0 259160.0156 105105 0 20388 0 123539 0 0 0 73376 0 0 0 0 0 0 0 0 300475 0 0 129632.0078 0 0 80875 73220 122369 51786 0 0 225051 143864 0 0 0 0 0 0 0 0 0 0
5alpha-androstan-3beta,17alpha-diol monosulfate (1) 0 0 111360 86176 0 52855.9961 0 0 54963 131979 0 56787 1033237 404301 125946 77078 0 0 36538 123500 0 0 95289 0 127570 0 84405 163474 234966.9844 310933 0 47984 114013 0 0 82680 0 0 0 0 227700 430531.0313 0 0 136265 0 0 42070.0039 39770 0 0 0 0 0 0 0 45528.0039 0 0 0 0 17312 40195 0 0 0 0 0
5alpha-androstan-3beta,17alpha-diol monosulfate (2) 375851 0 1080807 625591 0 0 0 0 0 0 0 86551 0 150641 0 0 97561.0078 0 0 0 0 0 0 0 0 0 134209 403307 314911 429909 0 0 371864 217006 0 69633 0 0 0 0 576439 801943 0 0 0 39653 0 0 0 0 0 0 0 0 0 0 0 0 0 27704 0 0 0 0 783285.0625 0 0 0
5alpha-androstan-3beta,17beta-diol disulfate 0 0 0 0 0 328452 344161 358932 526762 384412 155003 203541 0 0 155574 69048 0 0 0 0 0 58580 712996.0625 791939 0 0 983078 1115557 95785 168786 231911 404355 0 52494 0 131353 0 0 434783.9688 387002 0 0 306790 358143 1172187 0 38812 551824 0 87598 602150 393006.0313 827470 349219 474516 564256 1669615.125 802099 0 12367.999 214116 258058 0 0 950638 1049798 0 0
5alpha-androstan-3beta,17beta-diol monosulfate (1) 293460 51033.9961 251785 167620 69128 0 0 0 0 75318 0 87949 875181 800200.9375 23972 0 91485 41494 0 145836 0 0 0 0 70635 0 140782 410837.0313 243325 356930.0313 0 0 74433 62096 32114 186684 0 0 0 58721 405712.9688 594685 0 0 28377.998 39719 282500 0 0 0 0 0 0 0 0 0 0 0 120815 52077.0039 0 0 0 0 996044 0 0 0
5alpha-androstan-3beta,17beta-diol monosulfate (2) 0 0 0 0 0 0 30636 64584.0039 381736 0 149874 124289.0078 0 0 213076 171112 0 0 0 0 52939 88782 248761.0156 254210 0 0 22915 54229 0 0 37720 95628 0 0 0 0 0 0 95783 37373 0 0 135036 111606.9922 247562 0 0 475726 57143 0 462430.0313 201015 257697 198091 37895 0 419798.0313 525034 0 0 435825 330090 0 0 0 131624 0 67541
5alpha-pregnan-3(alpha or beta),20beta-diol disulfate 0 127243 2325290 0 0 11378852 1101255 26660 1350929 0 2376191 0 0 0 0 0 0 0 0 0 112303 394723 76716280 2671861 0 132317 136746 169079 0 0 4730281 55233.0039 0 0 0 155340 1007539.063 1123872 0 0 69286 0 70719 132436 0 0 1044296 3279264 0 48726768 1393249 825601 0 2132256 0 0 1747617.125 0 0 166215 630065 0 0 0 0 0 0 0
5alpha-pregnan-3beta,20alpha-diol disulfate 0 184022 109821 0 0 3996067.25 7164716 1631363 490341 112081 2028013 606815 0 0 977033 501551.9688 0 0 0 178865 192009 372260 23207652 1514391 0 149889 187761 259845 345163 280789 1958676 474728 112310 208389 0 318694 547153 743497 7575869 2308692 103133 0 165518 187174 763986 25759 246536 1799569 0 13848217 868235 707369 2776334 3164808 0 0 600438 410897 456915 2375499 705354 527760 0 0 1190083 943583 0 0
5alpha-pregnan-3beta,20alpha-diol monosulfate (1) 658754 118712 3621794 542492 72567 415092 31219 0 0 76970 115885 271450 476849 1121546 213193 236600 44278 44219 352628 961002 0 0 1570917 142020 188883 0 130902.9922 228744 910054 802852 119764 100238 0 35102 658089 868541 0 0 496468 936471 90410 58714 0 0 91934 38534 1319353 86466 52156 58798 0 0 0 0 68886 123926 100872 111432 5641258 1512574 58602 0 92012 131800 864047 29666 0 0
5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 0 0 0 0 0 3085525 355410 86774 100275 0 189373 230240.9844 0 0 241913.9844 266444 0 0 0 0 0 0 5243888 497762 0 0 81204 74324 56632 93329 603651 0 0 39640 0 152279 0 0 1336073 863085.0625 0 0 0 0 118362 0 0 481747 0 96194 0 0 381214 381193 0 0 212272 132782 348795 536715 82242 45921 0 0 0 0 0 0
5alpha-pregnan-3beta,20beta-diol monosulfate (1) 314114 359718 12893731 407510 0 32169720 1790657 226506 1710354 531129 2170980 226544 0 0 520100 418694 0 0 0 0 381234 331188 32011412 2157289 0 167539 625177 980233 81450 91949 5008318 584484 88059 0 0 872296 610764 625492 401296 0 757634 155006 105353.9922 253380 260533 46722 1574587 4553612 47980.9961 3388659.25 2243877 946941 1273263 2687239 175211 0 2112625 1030470.938 0 2214341 770800 434867 0 43539.0039 453191 201811 124045 122811
5alpha-pregnan-3beta-ol,20-one sulfate 77769 0 115612 0 0 176133 0 0 72236 0 136113 145553 0 0 96098 62051 0 0 0 53736 0 0 1868397 110255 0 0 0 0 0 0 182832 62883 0 0 115982 0 67533 48073 384037 323436 0 0 0 0 36147 0 0 209003 0 40465 245307 160942 0 109070 0 0 188535 96227 153114 165824 0 0 0 0 135889 0 0 0
5-aminovalerate 97016816 552819072 33867984 67267928 38515600 119809504 303241792 273514912 121305072 133083672 33563768 35452028 70979888 71327864 19885580 25067730 94274904 55216720 42932124 37187332 342621888 238685360 253790064 231485840 96164880 49879420 44602924 34057764 194289728 38434984 52192508 88940664 60252648 291045984 37995508 40207000 381957728 84991528 44829384 26822394 53293220 41188136 1964666240 72282336 372410368 42357820 85198328 80678720 218113792 4775118 1062718016 1821033984 385337664 793393792 69596424 36407452 28002934 90595320 89240688 163346176 422230688 485539424 32354288 64541952 335521568 729249664 105010320 107818184
5-dodecenoate (12:1n7) 379758 1641932 0 0 3095939 0 70120 836958 3874620 1259231 259853 0 1107302 0 686289 268877 191701 0 1870563 1695644 1195820 639956 1136079 316030.9688 462632 0 1119851 906953.9375 0 0 504448 1271952 918518 0 119613 371567 134665 860049 100403 180129 510192 3709602 236454.9844 5706408.5 72061 0 655653 1299930 0 876819 2382436 1296046 763477 570535 0 201616 0 0 2259325 323356.9688 560563 2954736 51548 133391 104834 8494923 1098235 199923
5-hydroxy-2-indolecarboxylic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20417 0 0 0 0 639548 838934 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
5-hydroxyhexanoate 2792634 1591918 3132850 2603940 2582808 542367 0 77626 1394260 9257594 522035 1186946 826979 7682714.5 416158 2305759 1689728 7789446 8339190 757113.0625 0 0 249741 0 4564632 7323246 2135187 1135845 6019459 10149645 374729.9688 542478 1918107 2044189 407353 1868086 0 0 8123035 10930114 491455 1442779 172725 339433.0313 503879.0313 405738 3334177 828728.0625 0 0 324932 122000 729545 234361 19585932 4465432 952203 628454 1358093 1152261 187984.9844 0 1409364 6073006 661274 296358 622534 3690015
5-hydroxylysine 1667749 4467453 0 0 0 572364 0 0 1357145 1302027 0 0 399811 0 0 0 0 0 718346.0625 935576 1203224 2153640 1135962 0 0 0 1659159 1558171 1729362 632035 960036.0625 2880002 1358480 1832056 0 0 27219892 759005 0 0 0 0 931069 2454891 0 0 903546 542082 0 1636537 981614.0625 4193178.25 0 1076813 0 0 752764 0 0 0 0 0 0 0 1066509 0 0 0
5-hydroxymethylfurfural 8462656 2008194.125 1117345 1735026 2685998 2014233 820156 997868 970983 5641886 1348909 464624 66371020 552894 3032097 2476689 1476926 729012 699458 3480690 1582290 5070196 0 2620645 1273261 4557110 638072 3524992 0 908616 542605 1555243 3657691 3722431 1136257 444558 2475660 377465 2348201 3409909 2253512 7355571 0 2386063 4188086 0 4830863 4506957 14055026 270028 2162526 1793895 833574 1024592 1266281 15823517 1220445 340089 5314796 18084336 1019969 1260676 3378967 1273083 1525679 1938516.875 0 1395513
5-methylthioadenosine (MTA) 100390 990579.9375 93157 0 0 0 593323 752824 2431934 2392345 1195866 340672 723380 2335756 0 0 0 0 0 0 3398017 1545058 0 0 0 0 0 719025 0 0 673566 0 434572 768502 0 0 3164026 0 428383 326195 0 0 272639 1374634 1591439 275126 0 452996 522624 367439 2839964 2805158 0 0 208783 1021989 838755 764371 689356 1413478 535011 951725 114062 0 232904 3596119 2666626 1570435
5-methyluridine (ribothymidine) 1155090 53649 45628 135073 1375541 361023 126447 315792 781556 899350.0625 363777 382395 337831 690756 52364 55058.0039 252345.0156 260133.9844 304050 255327 247161 197424 674525 116936 0 2142956 535596 442577.9688 245310.0156 182166 99959 140001 502021 438321 15189.999 214078 351511 576963 119950 92618 149568 155990 266942 1070135 679110 538742 508859 61331 0 75281 845116 236396 1439598 680002 668364 146416 1435057 1933930 348768 280180 87332 185657 24237 0 691020 1231405 586546 879396.0625
5-oxoproline 26709908 2374796 2782043 4866960 14877421 5117477 7718357 4844681 4923423 8027780 7035929.5 4279180 5871263 5937315 2029959.125 2114347 5435325 2635076 12936797 12402138 4418626 4079031 3896188 3734150 3478081.25 9480345 11264801 6743250.5 25600444 21943304 3136167 6080139 42309104 40908384 3894685 5399002 6579788 6062306 5116864 3627798.75 8780947 6936847 3973065 9803058 4139741 5558813 7190428 6460931 3590546.25 54468572 8158630.5 11419865 8575184 5870514 3834901 1554879 12176054 16969456 5193464 3795916.25 3758287 6174004 4329528 20446196 8012480.5 11082610 15202069 10666648
6-hydroxynicotinate 189402 0 0 428227 227921 623195 3449068 241231 150153 254977 1052002 0 265732 229997 0 0 276449 0 0 245310 513727 642552 693936 1664299 345966 286500 570629 519593 636941 1165861 0 706434 281862 1069402 0 854472 1513360 269543 405266 683092 638729 370277 662577 1051261 615132 818926 0 5319166 35097396 0 1114953 580528 966014 1058628 331302 189823 368273 296040 816255 339027 3263668 4013974 142660 255249 3614351 1247498 271172 156540
6-oxolithocholate 662594 146266 2330611 2724304 529411 707634 462713.0313 135651 0 264772 533888 235912.0156 588637 450820 251306 115852.9922 957088 192140 514726 315222 678328 961651 1097032 869481 339370 1224000 609372 701836 872760 1138523 221848 240448.9844 416484.0313 475498.0313 357718 955568 88734 343313 367941 0 530637 833873 35918 0 173288 224529.9844 0 0 0 0 146564 121845 306482 398069 136779 250076.0156 697407 442756 0 191135 119917 186419 0 0 0 69252 464469 793341
6-oxopiperidine-2-carboxylate 999176.0625 0 234789 267140 342164 110713 167853 248487.0156 210889 425492 172835 211723 164918 266756 177441 177787 414993 148128 395687 310550 0 0 470050 192449 236811 579750 198016 218626 141683 177674 119451 179711 358477 217754 72988 126439 110283 549108 357663 228806 162910 581057 394332 487613 0 77011 283296 230889 1000223.063 0 425382 70855 280252 82753 525369 407891 295738 397690 158847 156938 199123 529691 216655 165794 344693 487479 270509 186890
7-ketocholesterol 2222225 809474 2144896 3255203 790926 858238 731303 716144 1782698 1965134 951076 1125844 1407261 2353134 1352669 1169922 696514 340156 4641378 4728293 2921782 2087607 1662307 1807920 903808 1309397 991617.0625 1195205 1716105 1789873 1544502 2724112 1939996 2184625 3922494 3237085 1278686 980638 1482320 789395 488738 641563 451253.0313 1303060 2314118 367106 1219469 1110546 886765 492782 1002925 720487 1476583 1087775 974258 739598 1794990 4608122 1928459 615343 640098 899004 818480 1087492 1327203 542160 1721071 2173800
7-ketodeoxycholate 1003974 775717.9375 3314677.75 246477 368516.9688 584760 170503232 5330820 103623408 3187455 951340 311655 222006 1346933 85371 0 0 400358 0 0 864723 712226 694859 1118982 347384 666122 61664 210840 2442360 225528 799587 2345781 0 1024889 0 1217987 82968968 63548304 0 177607 43973 0 2408619 32281224 4069332 526589 10874681 3898575 130041 0 603691456 279605248 54587552 70100544 70301 0 1135061 1153505 87057 234795 1674409 2408113 0 0 1093674 961905.0625 34243648 1211242
7-ketolithocholate 1523071 3267363 10276315 4532573 0 1243984 116229400 4980096 83924504 5573196 2801627 1706525 557284 791520 761718 370496 174519 859543.9375 0 0 20194404 29656304 3147369 11183105 0 0 0 0 0 0 6075421 18284096 0 0 1721070 8414333 72560496 133372888 0 0 0 0 4106380.75 45591744 5571612 672151 9232682 3935183 0 0 232422928 50797716 29404136 46258124 0 0 4303132 1896668 0 1255913 2777457 1388492.125 0 0 5997531 1799029 56039416 11751489
7-methylguanine 4777810 247166 10342169 19706516 4308485 20860464 29459234 23006296 29052460 19943656 42346520 50688120 3288630 4233983 13155106 13190359 2133919 3518337 28880630 28560564 32468202 19137456 29498224 28161092 0 4812860 65231964 56488412 3494788 3030730 23785892 31939620 26506728 38354984 2066413 2812163 38105612 32488160 25429492 31327212 1116101 5105454 14417650 33418864 19096486 17188018 39521716 14973875 7011128 52868376 42328672 35697788 36453944 24408204 4174265.75 1338679 51353736 53495916 3650391 1383196 28503798 30790656 737825 1358116 13080751 50677604 5287935 1826818
7-methylurate 0 242983.0156 260850 478931 0 864816 4730852 736415 0 482453.9688 0 675243 1116568 0 0 0 0 0 0 0 0 513616 359045.0313 247081 0 0 0 0 0 0 0 144684 70188 0 0 0 935225 1807192.125 1200104 149155 0 316770 0 1985820 1661004 2054643 1154518 234089 259637 0 2087564 3092637 0 0 0 0 311702 0 0 865405.0625 1090595 0 0 0 0 0 0 0
7-methylxanthine 0 408730 306916 177583 0 2017293 3371561.25 459531.9688 148438 219346 876816.9375 509157 1034150 0 347984 340229 0 351541 0 0 193024 297342 312352 543239 0 0 0 0 313128 0 375731 338148 230567 146195 0 40445 1351250 1022664 864135 403452 0 3799736.25 0 1264720 2594960 2779406 894750 0 136975 602177 938697 2258884 284634 194402 0 0 170543 155246 292043 1507356 944583.0625 100017 0 0 729749 226406.9844 0 0
8-hydroxyguanine 190387.9844 98993.9922 0 635551 222639.9844 561428 681992 0 144840 284007 407866 247528 280562 582932 159031 94694 188149 99843 74156 215407 102178 454884 190368 0 180402 0 602522 275854 469207 247021 43693 109539 355886 1915048 0 148345 0 236397.0156 161457 67135 89054 165841 97559.9922 1877969 160444 87904 106969 204269.0156 651312 0 61531 0 168770 132482 63997.9961 61965 185982 178123 125208 117652 170080 97786.9922 0 88668 194264.0156 308872 287442 249278.9844
8-hydroxyoctanoate 961327 408671 157876 0 353115 188950 225514 556630 271907 435119 130018 187048 124458.0078 127760 110031 489468.9688 0 347522 155986 360746 183730 224613 242041.9844 291036 212813 272327 214309 121193 81905 0 229524 321447 73021 297531 0 273912 203341 143752 0 140581 133008 224355 946261 392770 411402 244057 327798 268118 0 0 0 0 437780 341147 289051 292207 224585 215510 219873 164495 85364 329706 125318.9922 213508 259855.0156 190625 139688 76685
9,10-DiHOME 5232916 4056128 2395746 2047880 3224859 6616942 10680818 3885092 5960777 4506408 14970966 3109336 2619577 5725417 2348870 5803021.5 0 4030531 6923659 10123283 42153116 17876388 14836955 15267563 44227 0 8279864.5 7159352 9951228 3240016 2806517 6952617 3303624 6466847 93325.0078 1208402 9702884 7817402 503962.9688 2025489 1536577 1106173 8118255 9548768 0 0 5729214 4944100 0 0 8880357 11023847 12416468 68218768 10671777 0 3740706 3541070 5161306 5521724 0 4645004 193585.0156 935841.0625 6702968.5 1959137 17098814 7152925
acesulfame 0 0 247081424 3946330 0 0 384508 123467 0 0 0 0 0 0 167454 0 1300136 0 0 0 115341784 0 4159200.75 0 687937 5359531 2709442 0 0 0 0 0 437123 0 0 3220425 12270077 0 0 0 683494 0 3145439 52797816 0 0 0 0 0 0 782433 1604898 0 0 0 0 993957 87350672 0 3436987 340124 0 140883 256512 0 0 0 11055885
acetylcarnitine (C2) 0 220793 0 351599 589792 198809 802844 0 1374977 1978771.875 1139666 0 470467 0 0 1035491.938 680880 281575 342182 623260 805367 1753584 727881 1614653 0 499009 491553 0 0 372100 597473 542728 301134 0 0 403442 2228120 345892 0 0 473141 2235602 3257487 808748 474809 281352 0 1372703 0 285273856 21375716 51043032 1116117 8452982 1141850 0 683170 710954 0 1218656 0 1353081 0 700267 998490 859982 0 0
acisoga 756569 823686 742802 398162 983103.0625 1456746 683869 660831 1283901 1146696 340927 385259 661223 763315 350832 399415 282707 267573 272543 411962 1642837 1854630 449023.0313 356363 1391476 1166195 1440582 548901 416759 529695 892592 785121 763283 1187982 585320 495793 2159173 1394449 2942901 1166811 630033 4997769 1215959 842619 1736927 1823750 1521494 778810 698136 1524294 932993 1570177 1454757 2195511 704362 436502 1151080 783689 1057731 866614 861530 919654.9375 579000 463247 2059089 2030744.125 930095 1898767
adenine 5635957 3392864 9637568 8486626 9091554 6917069.5 16066336 6383300.5 20448384 8955133 7977514 4576682 9221618 5072759 8777024 8634558 5931311 6331393 3609931 5930998 2230919 4778022 2800511 8503857 24223822 4594376 7064624.5 6951843.5 5429849 3668585 3934024.75 5869594 4703925 3352665 11294755 3154776 5153797 12524347 14788989 7994013 3222124 3956992 5992864 5635509 4809371 5878519 9767918 12410009 79138520 5207394 5394260 2182174 15224254 6545125 4262852 2122419 4609789 6321375 2835746 1895191 5250328 3634489 4012387 15244958 4992629 3041037 12238245 5113113
adenosine 1059513 529962 386881 786486 1341974 617944 1302793 1885836.875 5652074 2246811 1518835 458755 1295304 875835 501870 264385 1186708 759883 327404 181572 728519 427698 307540 1106193 226984.9844 973562 852732.0625 473044 376497 0 146506 217828 836909 401091 479845 157204 1259870 4168691.75 2381120 575450 363546 224391.9844 274723 2172593 1016008 733067 831878 2935758 397658 148617 6598148 2328127 5740406 1089779 1001052 344667 434346 1307677 207221 572738 818990 914616.0625 118769 370137 973896 880850.0625 2008112 1665824
adenosine-2',3'-cyclic monophosphate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 41365 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1499225 620023 0 0 0 0 0 0 0 0 0 21196 0 0 0 0 0 0 0 0 0 0 0 0 0 27442 0 0
adipate (C6-DC) 6699793.5 5474987 4852647 173806832 3397429 2985497 11157983 8636556 4887998 7291260.5 8964429 11556662 161774512 9702552 4259344 1236541 5176483 2360238 2105256 2222636 2211627 1899423 8922627 14152479 15052742 18330772 15761531 16296862 5079897 12027851 2361686 2169961 5427554 7909394 8750814 7454572 1137899 1603015 2829615 2801481 15113176 21216598 367849 9480895 7477148 5218052 1899267 14733691 31211904 728355 152641776 8461816 1049471 1768114 8018372 15128716 4338078 3234182 1511618 4020956 18233668 2835696 3058227 15332786 7787682 5959984.5 0 251852
agmatine 364539 170335 0 0 614228 293691 0 222102 0 0 307432 0 0 0 0 0 197073 6253566.5 0 0 355655 70207 282659 0 0 223722 339163 135891 0 0 63215 0 407060 0 0 0 2371074 1263210 288913 247981 0 0 16051615 2506928 332517 160031 0 298048 52581 0 689735 1167068 0 0 0 0 712197 842101 0 124911 471693 4338771 0 0 999313 306227 4533732 189915.0156
alanine 717939200 104950096 269951456 226331024 408056224 307192128 313378368 387088288 611459136 804402112 414705216 433916480 397733504 413373504 174134800 173094080 302137728 195487072 478932864 447467552 423406176 351098656 354088416 379778624 131976928 594788864 431554464 335957760 292213280 228287056 313183200 476278688 451195104 416294016 234138928 196454384 583559552 646111680 474446912 292027872 216595792 265821792 1148005888 1145689856 268342832 325619552 1208387328 692786560 429312736 813843264 857510720 1229455360 588334400 776367040 369343808 134418704 423901376 559100352 478343968 175989728 359211520 624421888 121812912 222939312 286275424 540630784 567069952 513596128
alanylleucine 1120285 1292480 207682 240205 606327 993634 1154186 869513 827262 1813832 3103457 2543335 2005750 4724332 3230785 2184242 636717.0625 3157892 3969692 1902939 1352839 420287 2689796 3262818.75 4891891.5 266846 459754 435698 991650 216006 5908835 7974653 2489811 2404134 727954 327273 1391235 631088 529179 520529 974646 477995 7085590 3545630 1102820 1126214 818907 673477 2111773 222239 1860714 5319178 517924 5779804 627356 827254 541736 576365 2006762 5154979 1449694 393695 489429 389041 4986811 928897 491098 917743
allantoin 835843 0 50067 48296 1255969 73863 126065 720573 1003726.063 267120 188913 74588 137736 98035 0 0 171756 0 0 0 45491.9961 283019 0 0 106744 427265 86699 24986.002 0 0 0 0 135145 812667.9375 0 0 97719 0 442643 0 0 1089355 3030910.25 2128506 160959 37134 1680398.125 1068393 280721 21467392 713852 21333008 155946 60173 114209 0 2591528 1417835 0 978668 0 109543 0 82991 0 810102.0625 104018 359068
allo-threonine 0 0 374718 571873 0 0 0 459526.0313 214139 0 188687 107967 0 0 430527 337606 0 55756 190043 841663.0625 233847.0156 0 775036 507248 0 0 127930 0 0 0 467309 561689 514067 509300 0 0 0 123246.0078 721072 403633 0 0 444279 0 216929 0 619853 429320 2415106 0 131796 498180 225475 125591.0078 0 0 82123 144974 101410 257046 0 0 0 0 204659.9844 97841 275939 222992
alpha-CEHC sulfate 0 0 0 0 0 181183 0 0 98505 0 85121.0078 0 0 0 0 0 0 0 0 0 316377 111581 0 0 0 1610499.125 0 0 0 0 349863 575355 0 0 0 124319 288791 229232 385174 0 0 0 0 0 401398 0 44357 540484 99991 396080.0313 1374175 881112 530501 592376 0 0 0 0 0 129687 317543 139861 0 0 0 311982 0 0
alpha-hydroxyisocaproate 439542 126471 0 299770 0 109236 1678114 803244.0625 109215 110469 156982 158724 172568 771565.9375 105299 0 180317 0 342238 270484 156189344 5972395.5 0 0 163630 205698 216255 0 140740 0 640132 693192 0 317545 0 175110 128568.0078 124596 124797 0 0 327859 5479515 6448101 293543 321047 487965 866427 796257 614028 345349 29927932 256178 2481897 0 0 256723 279121 101267 679798 715571.9375 1987218 0 0 228758.9844 590246 332967 463651
alpha-hydroxyisovalerate 946313 603718 412557.0313 879826 480028 705879 11688013 5822686 957556 906328 691534 544592 2055489 3027503 348278 127341 911888 511519 1204226 689973 336962400 35362812 467490 349182 628340 1402334 1187927 679902 808886 399526 5404306 5581541 701128 1251824 493017 792173 922331 1116519 712882 712874 299554 858239 11052316 48604184 4109225.25 4676839 1211040 3700306 3573377 1122683 2027243 51616308 1782831 7650504 709101 231533 556980 786260 804636 14287157 7294962 14965467 248011 374656 1850137 2066111 2179528 2842475
alpha-ketoglutarate 13160881 2604489 17743514 25884040 14461131 10897302 11387942 18220448 19358076 25965508 6180374 6856509 5980413 20940408 3805882 3470257.75 12756456 7890233 9928151 24193790 23325206 34280772 12993034 7483341 20467252 112583584 22047840 13745084 11870351 10172905 3731692.25 30704000 44783988 14768079 48801116 17706874 9434986 14628466 19309276 11440254 5107985 4470772 16587459 43103612 12518272 13573419 45776640 183746144 21712772 5397699 23189044 4550329 16159718 15515685 3418474 3371013.75 20959132 24625928 13006512 10807647 6378722 14087650 3822664 5694655 28045658 14708068 1969874.125 2225711
alpha-methylornithine 298858 0 0 302931 279060 136285 276370 63302 0 467050 173207.9844 205702 184750 0 222919.9844 257883 760739 345535 513522 104014 0 178908.0156 127154 0 0 0 0 229019 177998.0156 204472.0156 896884 433713.9688 507183 102657 108950 0 0 120435 490126 965550 451487.0313 211346 0 0 366457 287575 118780 501466 368516 0 0 0 0 411443 1019903 590991 885124 1473871 139915 118492 296863 0 349288 441279.9688 0 0 903323 589235
alpha-tocopherol 148498704 105587744 162074560 198311808 185981824 60558512 48423044 110930464 56234572 97617408 92475904 76855624 118278784 86749256 133346704 174418208 199900912 68379384 452353696 270649632 115139920 75494424 102389872 88328992 144527232 207681584 95410512 84693616 101017520 86730240 110573688 185455792 174155888 112653912 167412096 161015744 84984184 243341104 115234864 90133064 239625728 423338464 24756544 83959192 141228304 90783168 125331944 122791520 263897792 128370640 398924224 256467760 126623424 123760344 225051408 158280240 80186408 218104816 42478248 82487976 31086502 60567212 150512096 155278000 1361810304 875982464 48186816 60074192
alpha-tocopherol acetate 0 549027 467927 8607120 573209 0 0 249849.0156 0 0 0 0 0 400218 0 45101740 5497233 468194 0 0 299852 0 0 188047 30779188 18595988 0 601743 0 0 4384442 11530584 0 0 213666 0 0 0 11227271 323830 0 11235478 0 0 5085598 0 303387 0 5469112 25671760 5132938 81274 0 0 1072865 674761 0 2461703 0 0 0 0 0 0 3458310912 1912372864 0 170500
alpha-tocotrienol 2432580 654258 3036414 3841936 2124894 1283480 3357058 3234467 3391284 3634394 1633990 2642579 4276389 3501675 1696705 3862069 3560262 1102435 6327791 1913776 9635204 8972554 2052697 513214 4848582 4634743 1311846 1300110 1488442 2176033 2502111 1874482 4571012 1756077 3208357 2619227 2208437 5367382 913733 2080641 683254 559562 933003 2350350 0 1424306 1964225 1104146 8371575 738579 1603756 1312921 3384392 2417639 1017918 1129980 3354481.25 876045 3975992 3128795 918477 3806798 3703266 4929775 435269 1729449 1070722 1184580
adenosine 5'-monophosphate (AMP) 0 0 0 0 114945 0 59075 0 69650 141241 559498 388892 1013607 1502428 0 0 0 868057 0 0 283762 0 398813 144129 0 168046 206493 0 37450 0 0 0 424197.9688 73165 0 0 86898 0 0 0 291429 66044 419642 231033 496925 343815 42566 0 0 0 0 0 183824 323562 63163 0 0 222711.9844 374416 0 128200 0 54482.9961 0 0 0 0 0
androstenediol (3alpha, 17alpha) monosulfate (2) 86642 460925 2272213 992153.9375 0 144044 94918 29353.002 45877.9961 49574 144757 244939 54440 208193.0156 30568.002 0 0 96444 0 425978 0 0 0 31754 0 0 72959 109211 0 51416.0039 0 0 201725 125228 0 85425 0 0 0 0 1710124 1519637.875 0 40929 60947.0039 41549 232105.0156 76519 0 0 140436 78609 65233.0039 70566 0 0 116383 68770 1612759.125 666219 80537 57415 128400 0 1162723 0 0 0
androstenediol (3beta,17beta) disulfate (1) 0 0 0 0 0 3044400 2922647 3459824 4645741 3372997 4182812 5844734 63225 0 2548600 1707893 0 0 0 0 280269 419803 3228044 2533560 0 192826 14075610 24687032 3751150 4571858 811060 1406191 0 423955 0 657164 270087 236230 1292837 1240176 0 0 1240984 1235037 5856251 0 83644 2210399 0 736578 5066981 3401884 4568337 2941543 1419426 2196238 5086640 2490263 0 260594 2343328 1961068 0 0 5670062 3404641 0 0
androstenediol (3beta,17beta) disulfate (2) 0 0 0 0 0 9669730 5953288 3692058 6913067 6767773 10085939 12805246 189940 0 6132840 5061632 0 78419 0 0 843527 1165229 5162187 4951746 0 536901 10901342 15444745 6023149 6383002 1324497 2157808 150099 757733 0 2087659.125 1086254 1006109.938 1101566 715904 0 0 1843056 2362653 8579611 58072.9961 410800 5271941 806046 1099572 7199172 4765022 7626399.5 6066135 2627025 1903446.875 9654869 5279163 40813 505453.9688 4024787.75 3295230 0 0 1572662 2484043 0 0
androstenediol (3beta,17beta) monosulfate (1) 0 0 0 0 0 1979845 1196920 1450936 3103499 1791138 10318746 9322136 0 0 4365436 4608847 0 0 0 0 673340 876403 2734060 2060373 0 68336 1336818 2282812 566166 686788 362851 819763 0 0 0 532253 256513 320433 738605 444291 0 0 312534 570459 4579990 0 0 4284360 729680 0 3003635 969843 2800783.25 2189498 575664 550088 4364816 4406260 0 63310 9331655 5195990 0 0 176097 1098046 165408 201370.9844
androstenediol (3beta,17beta) monosulfate (2) 1225841 497619 1631360 1172049 117794 31530 18012 0 0 0 34653 49066.0039 0 60143 0 0 0 56149 0 385236 0 0 0 0 0 0 0 64584 0 23518 0 0 0 63224 0 0 0 0 0 0 451894 202503 0 0 0 127412 613411 0 0 0 0 23857 0 0 0 0 0 0 684716 314847 0 0 0 0 4337505 0 0 0
androsterone sulfate 149733 209667 0 0 0 2166703 3397818 1017509 1643631.875 575883 694604 582984 84860 68697 0 0 0 0 0 0 116255 173434 429286 1111862 0 225335 250891 341297 0 0 264553 331342 0 0 0 204588 124772.0078 125972 180576 23573 0 0 435227.0313 757289.9375 340124 43156 319218 2381415 54058 111697 2294792 1792820 4989488 3357976 90619 67100 1305475 822105 0 178746 1169124 738071 0 0 578548 252455 914378.9375 728167
anserine 4082223.25 2549076 2299902 603235 2312940 3530805 5692175 2381839 3114083 3377228 3413259.25 11280650 951637.9375 2084893.875 3031297 2284046 0 1290034 915199 7042413.5 12382679 2784692 39707996 2396168 1521284 3147782.25 1923350 2036193.875 7706204 2250677 3518259 17272808 24672108 21037874 1054981 661579 39903264 1662690 3776610 1594711 2275710 246788 2691126 47251524 7163641 0 4803380 2916525 1185775 2322364 51867040 4940756 2382797 1224383 226478 0 2591790 12833466 1662147 1995178 2622951 7912346 2039927.875 590727 22456416 1590996 2521819 1400595
anthranilate 0 0 0 0 0 0 0 0 0 0 224647 0 0 0 626406 198881 0 198340 181315 0 0 0 0 467360.9688 0 0 202632 0 0 278533 0 205827.0156 240642 342643 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 459864 0 0 0 0 0 0 267884 0 0 0 170750 0 0 0
apigenin 81357 104188 32833 0 113700 0 600612 0 0 0 0 0 0 0 0 0 0 0 0 43416 0 62091 0 0 0 70934 267803 140820 68583 0 0 0 0 0 0 0 170815 167812 0 0 103921 0 742116 152791 745431 43998 0 0 0 0 0 7713488 63905 0 0 100343 0 248345 0 33605 0 139351 0 0 0 56398 190489 116991
arabinose 8016844 1222017 2070991 0 3291684 6039930.5 25238412 14194352 3427293 4220634 4351524 2019721 6406798 14085060 768257 1063407 2567670 5098426 1368424 1350300 7901747 4370740 2811547 1909032 451958 1909865 3395615 3180139 2352379 1141382 2842151.25 6529408 2341663 7498384 780842 1255182 11520480 8695319 1600019 2512941 1854751 868758 8679001 7398476 26190068 9624811 6974630 4781003 2102034 12844837 3729124 40979732 8011782 79050768 2812879 0 6246848 9876590 8393815 29858258 3381505 3118345 322511.0313 824162 4764037 4991538 4750749 3446408
arabitol/xylitol 63082 48181 29447 103415.0078 137781 109151.9922 348637 268738 298752 451293 0 0 319611 362318.9688 0 0 89147.0078 0 0 156321 30810 171716 0 0 0 209674 87353 105827 47263 0 89797 79353 134945 525510 0 65202 182190 32126 224028 37426 22911 333148 240536 80929 341613 289366 244729 778693 23843.998 4941856 69079 982656 109562 677524 0 0 273149 647067 276470 242726 40682 112418 0 97898.0078 0 323132 308033 189202
arabonate/xylonate 2087057 5204180 3195159 2532216 2098213 2263567 4994896 4130165.25 6204691 2987666 3246968 1146963 3278985 4093296.25 1301577 1320287 2646335 1439804 1033127 2922288 1367709 4377524 1573624 2086827 4068911 2127074 4044704 4826550 1693438 2134287 2442203 4097833 4452740 8000065.5 1942885 1663014 8601689 4813553 3569169.75 2196734 1355436 3149132 25957332 5135229 5888692 2428397 3572143.75 2135853 9881088 918496576 8519326 155668128 3982020.75 3591886 2793120 1184456 4366414 4220998 2126011 3673043 3163454 9937895 764967 940002 5132373 5646826 5615570 6601128
arachidate (20:0) 56545664 146722032 189244944 207625024 119708912 222408016 188503888 76191872 57255092 34085996 33528240 303949696 392364704 73989520 195034048 406092704 18949878 35700804 108653864 174327040 10931018 5517025 125685280 217598336 13287551 210243904 13484495 25632094 89042232 166755984 232217440 170744160 653312896 912273280 850755456 684969280 139114112 81811592 79593240 395341632 616217472 635993472 109998232 1942655744 168230976 366845792 21903816 221011456 278934912 33728264 33082154 35947456 225584048 93968448 115867048 152060176 665577152 175400496 210817488 11949341 145108992 94070224 167521200 520436992 14640403 195494400 330414848 265906736
arachidonate (20:4n6) 7415341 9221950 47478716 9688255 16414129 59022860 15453557 9881407 48620440 10552791 41184076 122359176 14897752 18093346 16459964 10868852 919532 1057999 3614386 18645520 12245405 60750864 94730104 96486976 443572 12616982 2562621 7490672 12251833 7478203 105938144 44904744 31256550 34017656 9024992 9462275 64226332 76632480 3260267 3363458.75 13300557 19698800 12516503 185785664 35888700 30814892 22531368 99306840 35910600 112949200 69082968 48508992 43805152 17885256 140302032 8492231 42273176 28575084 8875113 2324145 87955304 31617472 1955683 4844004 19772034 105167432 63397204 70631616
arachidoyl ethanolamide (20:0)* 354723 216772 1454508 2147399 541591 318986 316376 574365 650208 450265 292828 1150447 384774 370940 773512 1383945 0 53384 143733 287799 688688 1116096 1425413 577191 137647 986922 193242 427361 950476.0625 1086151 781721 1484584 259441 276910 271177 534804 594613 390016 924896 1079952 0 157151 220659 464261 1258750 475269 401586 551798 826475 0 370924 199813 212860 171047 2534944 3059750 854666 1601467 262846 250688.9844 451544 420170 0 76223 238475.9844 214723 835295 716770
arachidoylcarnitine (C20)* 879631 283798 1341337 3160801 986616 755108 714162 106192 2958451 1127300 627067 660022 524783 719240 508770 301724 172472 119927 1277885 323937 1135414 389535 793871 2115050 611551 296955 739778 1003117 3833654.75 3277335.25 1320690 1660321.125 879309.0625 959470 1124942 1962024 628647 1541995 580827 344115 1043298 0 180820 916865.0625 630638 127283 2854632 2443041 198300 139439 346243 415809 136275 0 0 0 1573583 0 1535966 873424 1659993 388106 630976 168937 454102 372675 199317 467523.0313
argininate* 2327934 295733 279828 279801 1946584 1992985 1367559 1775896 1585209 2011679.875 1331346 589478 2028851.125 1671715 247417.0156 297780 561929 651971 270204 1447371 1587399 1921151 1141445 796017.0625 451141 1206232 2220728 1883573 1108752 1242474 1178929 1544754 1985576 1688994.125 1043909.063 1211953 1031681 2322291 1113380 845207.0625 1023016.063 1571602 9223186 15206615 1608732 3246655 1091492 176513 485625 1195041 4148017 15231381 2613010 2743700 1379523 0 2761308 4320392 1377040 691195 370185 642710 544557 312877 2678265 2204403 3024931 2076660.875
arginine 46841832 115233392 4309653 4947841 45932248 30769628 46520064 188281744 23954028 24053846 20340828 11002298 35154548 42924128 3995183.25 4392327 150304064 909629504 34980896 18622440 12424699 15421942 34736580 24687460 115479208 119410016 36311200 15129240 10684626 7329445.5 32919914 34261176 25701838 20711924 3244507 3012572 191744736 225284368 302856320 208459808 25999784 74430392 1090450688 291778880 239383360 210540944 65110976 32108528 112493208 1015949056 48141084 114861696 23954196 39666332 24665530 9788165 29954588 33226254 16904040 174947872 146034304 348500352 12057999 11427228 15853874 24561630 480352000 331681600
argininosuccinate 0 0 0 0 0 0 0 141958 0 0 0 0 0 0 0 0 0 809350 0 0 0 0 0 0 0 422986 0 0 0 0 231365 304009 324278 311764.0313 579902 0 1729330 1068609 0 285707 0 0 2027093 923785.0625 829280 99863.9922 0 0 0 2263007 0 307026 0 165368.9844 0 0 0 0 0 0 264963 131908 0 0 227382 0 0 0
asparagine 201274432 7808902 6900286 1931395 14215412 15012883 62827564 131231872 215974192 253316944 27988328 32370800 70371272 57541608 8492847 8475611 71973344 45687404 8017077 4632619 2134158 2108280 8492613 191808256 23678136 11672335 8852166 4894239 3781798 1994361 6385038 76182448 6652319 10193259 8461101 3837220 329217088 352265120 145897744 66689176 5406576 6565988 75207656 423021408 8066370 9475749 523014944 36979876 62947116 502315136 353102208 139618384 183346208 180446880 109404416 24702002 11184092 12305051 152994176 158760144 65766044 117523920 5580300 16752357 5868683 12600736 7211334 6084678
aspartate 284014560 76625072 132713792 68137640 154612288 310223200 129168136 125973248 224298944 256107840 168218336 173095904 181145520 134015800 79498080 101594504 84115232 101041528 179009312 176277200 166362112 179280496 215626432 89470072 75046368 268907008 274270368 220513648 153295680 132459552 160312048 248295536 273791936 274052896 147030256 171561184 245070272 176372192 185481040 172268448 145899296 158670016 326058752 301549664 103080712 164069568 345823712 343647520 151617792 584326464 287770080 129972512 305957664 343437632 110093616 59511752 196449792 246322176 212872016 196608960 231718064 400855264 78452888 112152248 217832736 247397136 63586008 52504908
atenolol 0 0 0 0 0 0 0 0 570474176 642397696 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
azelate (C9-DC) 20979764 1898307 1355011 3159798 8021926 3139233 6392294 2869405 3516526 11804478 5783447 5048676 3404437 2756945 2200199 6455863.5 34580216 11654768 4538286 3835369 2616114 3595150 5671358 12634100 29452844 17663672 6611548 5372674 3316771 5342291 3459866 6979787 3880816.75 5998545 18924992 25345720 2903009 2931014 3244605 3820157 10184053 24120100 3396280 3378886.75 6137421.5 12675014 4050263 6749335 7017435 738448.0625 1643438 970519 2667730 2144514 9269813 6346781 4916999 7606692 4378939 6944693 3938010 4251883 5226122 21440572 3722834 2396590 88014 221945
azithromycin 0 0 434317632 1757475 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 395560192 0 0 0 0 0 0 0 0 19871000 1520672384 0 0 0 0 0 0 345446 329208 0 0 0 0 17388028 0 0 0 0 599769 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
behenate (22:0)* 36502400 26760752 80402848 1360446 10705567 23893144 1051049 37820376 14762524 10848472 16536566 45403872 15369244 18794500 514289.0313 4596168 262554 18003896 16155919 23086898 1988142 0 45921204 9476722 4865783 49132252 0 582697 844576 6014106 11406840 7590002 111895224 215671488 174686928 146425984 48100160 1590423 77256736 6680114 262622400 193120432 1207728 148240992 58934528 15984505 13844063 25653916 2419715 13955229 11055222 11806267 8696605 70665888 265036 49791576 89264432 127667592 1821861 0 16262391 15124515 49428420 167594608 0 1447403 508329248 29473824
behenoyl ethanolamide (22:0)* 359368 106785 1379308 2467798 590536 133538 52740 558653 483019 461513 214569.0156 1294564 438555.9688 288910 616145 1576611 0 0 239383.9844 244709 511929 876520 1139256 414801 357294 886330 209483 553504 961290 887144.9375 698279 1426749 410651 325227 1193889 1011910.063 603417 286004 881778.0625 853290 0 67755 167867 317909 639040 289935 174177 338836 1135915 0 281417 197217 98801 102177 1628734 1359599 764359 1423134 360931 150022 164352 224223 0 123399 109780 109278.9922 911552 733461
behenoylcarnitine (C22)* 670289 0 824253 1831475 495076 418537 363864 0 1273546 461640.9688 437204.9688 242663 284030 323591 0 0 195607 0 787434 143033 563075 160091 401642 1031431 616547 276988 274072 454531.0313 2814457 1790866 825984 1036608.938 315293 363645 971729 1550160 200991 358181 447061.9688 170221 478004.0313 0 176538 290540 173373 0 1760193.875 1294582 241786 134250 159544 232877.0156 0 143932 0 0 784245 446628.0313 376898 292983 950650.9375 0 381387 167131 211226 140169 277030 211446
benzoate 3420451 0 0 1679853 0 3519171 0 1411913 3950637 3933187 0 1103105 1380284 2640882 740043 0 0 1454091 0 2112332 0 9933118 0 701065 2035825 2578437.25 3763669 2262745 1697648 1340404.125 4493520 2127616 3732371 1151494 0 2187708 0 1955307 2274817 0 0 17507694 2992223 1485365 2574265.75 0 2937899 0 2652343 2280202 2596090 0 2875166 2614320 0 2288490 3518702 1985097 0 3321448.25 2166016 0 0 0 2276227 3631536 3384387 3944657
benzoylecgonine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4219385 20069020 0 0 0 0 0 120742 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
berberine 1390075 0 0 0 0 0 0 0 0 0 0 0 0 0 201222.0156 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 73734 0 0 0 0 73824360 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
beta-alanine 3075861 2316828 2185671 2244388 6650059.5 10176303 180943344 34404656 5806252 5845697 40308192 3430645.75 5109657 4195615 644682 1030394 1145038 1682944.125 4485556 8162799.5 209873648 144480464 4265487 2166098 2604677 3083553 4405094 3288411 20750984 2894621 9618104 37095088 4713132 10698220 1772279 2096266.125 63824632 47929808 64721676 1064584 2267742 4184283 17574224 21712584 7744928 4138585 28773196 2735954 2089284 17803556 46144748 35560680 51661940 33144574 2927127 1234243 6067505.5 10032020 4239581 5529600 24555360 40933948 1522385.125 1692862 26594406 11979262 9613841 5715800
beta-cryptoxanthin 1999612 407754 29643180 1673603 2704906 149565 176389 627127 1597315.125 1940165.125 940613 113187 1386223.125 1206431 1236009 412378 1796720.875 227753 4786834 1659876 819401 0 1765068.875 1068880 1997051 6401903 1863145.125 4068344 2185445 2157561 1326010 3903144 1014866 4135806.75 1346722 1088522 326314 0 2923493.25 2977802 986308.9375 6277721 213615 155981 1003115 2027596 1324238 2809106.25 366089.9688 0 539210 0 917562 77305 1082606 1036072 1609709.125 2422497 393521 810000 504478 2866581.75 4227632 1713787 0 602098 220840 488337
beta-guanidinopropanoate 399441 216188 1683330.125 1849421 1643374 1399227 3312741.25 1232915 1988451 3724659 2232304 9074351 1628629 1130004 896364 1758683.875 0 133445 756001 2041447 4297674 2241513 7872593.5 1445373 318988 99971 568529 0 1665483 1974371 7957649 5394724 256873 586497 2398381 1614980.125 2595960 5435286 4250118 2221936 2017633 1523453.125 646590 2554347 7973545.5 1983031.125 9355109 894283.0625 4724824 496387 1695865 563838 1867836.875 1676218 2337999 1514905 60846 296872 218144.0156 248859.9844 3356965 1735329.875 414691 1962307 3254477.25 856252 2218165 1884523
beta-hydroxyisovalerate 1951268 899524 705191 631357 1842290 989723 1369343 1422864 1183023 805589 1005178 998932 608875 1112477 1299030 468255 558889 1093997 888477 1218482 0 1091464 721828 417423 472824 1433174 3839756 1059795 1215252 1660380 1086131 1155575 1190153 950558 416153 784251.9375 971525 1185253 2570227 1398724 557777 1193967 634234 487957 3284626 1846321 1552164 1404563 869635 562566 1903285 3548238 1753274 587212 1384321 362989 1401082 1208528 1796429 2398205 1107003 1214452 470606 378310 2222863 2458063 976795 1104976
betaine 32822634 16102768 1660312 1636256 5092042 4317730 5029956 1873248.875 13290289 10961065 3594439 1274848 14727693 4379344 1672908 777513 12542921 2838859 2354880 2211024 1902888 15281843 1315303 1374110 4353454 6213203 4109525 4210768 7953415 4337215 6656479 4226499 3517778 2608611 2192987 1387657.125 7855187 6888449 4794387 4810547 3892169 18127196 186591984 8169628 37282568 2336774 58831668 10068835 1708776 529116448 12488584 266009232 10749959 90145856 8258419 4212841 5912186.5 5377053 4502087 28911868 2447533 5300348 4743614 4943174 6398772 19257280 4436996 21756920
beta-muricholate 4255381 1423300.875 10054586 10647345 10224594 12657253 8381716 2222279 4085246 4851141 28188428 6614219 2467333 3997680 6834176 8148372 2137962 4019937 11067759 6935665 5371989 2755562 19220418 19871864 3544936 3008222 4469151 5466813 9459493 10782037 4644087 9905144 1362080 1542412 1518112 4848742 15462485 24367914 5294426 4362072 1179484 3661219 0 72037 9062443 10519761 11888203 19174294 17136740 566009 0 0 4955647 8217756 6119774 3802911 8984848 9009313 2181564 2482372 1441105 1291031 1594799 8283480 6872432 4171762 1009378 617943
beta-sitosterol 25222130 18930808 96506832 108673616 12730795 41848836 39823168 32034684 29050544 27130950 78963392 65180792 44912548 43339208 40679328 48294732 38100888 16482306 8435179 24286660 21288844 18854774 75396544 65588188 27797718 37520008 21226404 11752742 8061927.5 5970134 38305820 68829360 7913666.5 7076475 125799816 109275712 24757168 22741302 52277208 16664313 5098268 3176274 14885709 39647584 59025976 51844580 34541116 42942528 52229376 16312013 32207524 29795180 52305152 73223312 7235267 6589316 11067107 20754612 52195340 15638554 42682272 50048900 14880140 6103872 47774968 7816691 34991376 48282448
bilirubin (Z,Z) 1136847 470138.9688 30063262 11102555 9702059 23649152 13505115 3513597 13533578 6184410 21461828 37871308 5576292 25097856 2238127 1101271 4670568 4701285 5290547 5568178.5 30484464 23213276 10310706 29910808 24603580 5036099 2621665 5972765 46097136 18046604 219920560 157270976 8828106 2919984 5684752 2118256 133783760 30590088 3228586 6645836 2049609 3525461 83164520 3006505.75 40957448 12894626 125786752 98146800 32135354 108111728 131358064 121053976 114693296 270301568 551809 864907 7205618 8891762 2979980 26426000 5989722 11546182 3035823.25 2498166 113710552 34517200 157664 113037.9922
bilirubin (E,E)* 582119 0 1531202 219982 352054 524816 503512 61906 645605 198716 1138785 947722 475978.0313 987309 0 0 0 519605.9688 0 0 1141810 969513 232310 775451.0625 811199 183240 0 0 735655 0 2769715 2431988 122086 0 0 0 1945860 580537 122746.9922 0 0 0 996896 0 1352073 218943 2559295 2674431 453907 1689823 5159595 2332029 2484962 3075036 0 0 0 0 0 1949941 398590.9688 358579 0 0 2213813 0 0 0
bilirubin (E,Z or Z,E)* 360775 0 5705395 5661871 394846 4883674 2083660 553615 2241643 1454922 6664022 2591019 632428 1050406 550501 0 0 557641 0 823249 3309130 2547334 5726281 6212531 549778 135132 626956 2455857 1887410 2408481 7051888 6375138 1755517 311372 0 574871 7397646 4833014 5282964 1881892 0 0 3029683 1125979 778935 367416 3494703 5781979 559541 33570500 14644436 16419087 4856218 6611532 0 0 689869 532091 411826 2258763 3478958 1695665 0 0 8118105 7569854 0 0
biliverdin 255491 23282 354108 127618 228201 435205.0313 276318 0 66752 93827 385887 319731 135860 314045 0 30169 32637.998 23492 63398 33167 161244 197349 183025 193636 89743 0 84476 124581.0078 1026176 397710 507386 1013359 108354.9922 116464.0078 71474 151568 826998 260605.0156 124317.0078 215131 0 0 404773 48695 636078 173349 1337667 800553 187820 1108848 1212616 705625 1129425 1838870.125 53529 43056 319156 191922 63752.9961 218266.9844 202494 166870 0 51386.9961 1520599 275404 0 0
biochanin A 0 0 0 0 0 0 268169 24828 0 0 0 0 0 0 0 0 0 38055 0 167214 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 145374 0 0 0 64824 240007 290451 0 0 0 0 0 0 0 0 100841 0 0 0 814771 0 0 0 0 0 0 0 0 176383 0
biotin 431025.9688 0 1445153 1179638 1039455 424136 340679 662843 802508.9375 883757 571382 1563976 339590 378622 640860 1408719 4558138 1854789.125 2077757 486867.9688 0 227690 1591617.875 1620167 2823872 1854175 528015 661910 742383 861074.9375 235108.0156 809461.0625 1236046 711395 894715.9375 712600 0 380625 682518 692691 1081764 4324840 0 0 300282 619332 365481 1201988 2407965 0 237393 0 241255.0156 140081 8692240 4156271 267043 302070 311874 96056 517675.0313 240156.9844 914370.0625 1563827 0 0 647382 972768.9375
bufotenine 0 0 270048 0 0 58966 0 0 0 440722 0 0 0 0 0 0 232241 0 0 215226.0156 179605 0 0 0 0 0 0 1497266.875 0 0 975023 7748913 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 246575 0 0 0 0 0 0 0 0 0 117858 0 0 0 0 0 0 0
butyrylglutamine/isobutyrylglutamine 104694.9922 58634 28712.998 0 113816.9922 165110 116293 71819 158887 190085 185269 154801 203528 156744 25711 0 138594 96092 53089 145573 103802.9922 58350 267310 35698 0 95295 94374 61921 90331 0 83567 147782 104682 245318 0 0 68672 83606 110408 58381 27886 0 0 219064 198527 69288 192408 128497 156737 26275 376515 542390 155532 406396 172808 18746 258137 244823 182325 175200 149523 253422 0 0 113459 128067 202362 155656.0156
butyrylglycine 167833 203818 0 0 0 0 0 0 0 0 0 0 0 68430 0 0 19257 0 0 0 0 0 0 0 0 0 0 39875 0 0 0 0 70871 0 0 0 0 0 0 0 0 162241 192261 0 0 0 96038 0 0 0 0 407031 0 407614.9688 0 0 65629 0 592738 0 0 0 0 0 0 0 0 0
cadaverine 14070941 7620195 1221380 1371859 1046741 1724102 10883408 19197236 10035643 3537963 4329328 1449684 2407901 4605787 4835212 3204509 998856 1218427 842940 3188416.75 15471958 2003247.875 1176230 510165 931547.0625 3216004 2552340 7254194 267477920 193778016 2418009 1093538 3565775 1294342.875 954054 1012987 60255872 1185284 1078687 1724821.875 1220315 929497 5613536.5 51963624 1261115 1330258 1498999.125 5623094 16085672 791628 2496461 12301605 798138 2232849 1183536 1211710 9745568 6364034 10305111 4957367 2886512 3515365 2445783 1366356 88962448 38289304 8422245 5299017
caffeate 1905392 4079367 1050435 629389 490461 558451 181095.9844 290555 4408999 261249 10845385 0 576740 115264 1689086 0 166887.0156 1044836 1405470 164678 0 205416 0 0 0 991266.0625 104323 0 889757 1129511 0 0 504425 217789 719264 929836 415396 111374 717473 1910769 525379 628650 251387 0 4079369.25 257404.0156 0 1992744 44423 0 57939 100962 5412839 1219523 761820 2904145 197194.0156 626102 656178 7828052.5 738782 450582 1507309 450279.0313 0 101047 0 0
caffeic acid sulfate 35575 869610 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 56136 0 0 0 0 497972 0 50056 1354447 61413.9961 0 0 0 0 0 618157 0 0 0 0 0 0 0 0
caffeine 1730411 1436802 8162613 5868204 1738178 3441821 3754448 1189201 3695929 3002903 0 3252891.75 1319955 816406 7439965 8003481 7508624 7558723 179439 0 720316 4426889 0 1537014 0 0 3253793 6306470 3365403 3243012 2360609.75 2588032 0 0 2266879 10164770 301675 1038420 3022843 2226861 262061 796338 310418 1601703 596320 2279151 2498038 2927432 0 1747465.125 0 0 4495656 0 110351 13678757 3490814 1525013 1826166 5289360 1323847 0 0 0 1369672 1369854 163654 0
campesterol 12985365 5258994 43883744 53951216 4756608 16416662 14355772 9459760 10039326 10057592 29117696 24521228 11223511 12364367 18679156 19254848 11496230 5848790 8848560 13204976 9338099 8207787.5 30211644 28339236 7819668.5 12271171 9036189 5645926 5242568 3652680 15702274 28261278 3382423.75 2604808 42221420 47692464 7944876 4621241 11974638 4492187 2000491.125 2977012 4874673 17574840 15278839 8877227 12492598 13661122 22517176 6205259 13862876 12017485 18859004 10718889 3177005.75 2149493 5387713 12125814 19293908 5272038 15048466 16859648 5119500 2511369 16083655 4516407 10627067 20101320
caprate (10:0) 20140198 44192040 8757351 9475345 49770068 5549599 5032500 11275768 62827752 18662932 4965477 5426803 12696463 4866883 5691775 5493649 20193884 4976822 17807806 20224318 7613905 7125946 6894460 5482416 38001568 6008052 13777174 6204109 5534124 6822001 6688025 7520834 8560372 6050654 4277187 6849575 11880027 13103370 4962412 3225780 8855704 31927546 4032518 70057272 192124304 208422448 11543800 18747084 2278015 1683635 34453676 17210224 13941633 5768154 5120254 5058911 5469891 11459144 23642016 9547991 4449185 38586656 2726495 18056198 2216551 101781072 10576237 6347369
caproate (6:0) 10142657 6357630.5 12787674 8075908 9403013 2338745 0 0 19704014 94940584 2139210 2924564 2140575 161278400 0 0 3806801 22254288 21060856 1782559 0 0 1916139 0 3039440 13121244 11180864 10121936 27290422 13016513 0 2368832 3230422 5747070 1801177 2497532 0 2102825 9141418 8269362 2996446.25 6620457 0 5945544.5 8648114 3455588 7151732 0 0 0 2400161 0 2335405 0 47463144 9791848 2361369 1359825 3269679.25 0 2308107 1803206 1113001 21784084 2149838 1922120 6233253.5 49909768
caprylate (8:0) 3103012 2651730 0 2053656 5349009 0 0 0 10567401 3842354 798784 0 0 2352484 0 0 0 2329398 0 0 0 0 517052 0 1910127 5098277 0 0 1748172 0 0 878430 0 700639 0 0 2959670 4788759 2278983 7295373 0 1155056 0 8347773.5 103419632 85238208 0 0 0 0 3949349.25 1834948 1096105 0 15644558 4025668 0 2326050 0 0 0 1319997 0 12595543 0 4135796.25 0 2511710
capsaicin 0 179652 0 148646 251146 0 0 0 0 0 0 0 0 0 0 3342827 0 0 0 0 0 0 0 0 0 0 0 0 213196 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
carboxyethyl-GABA 18689404 17618454 48490992 19802980 29050766 61508992 12878523 8693616 39074084 31864778 53467392 56962484 45794416 76123200 17438752 28976264 949857.9375 7469821 17332728 7928479.5 12271779 18295916 69483152 48208820 403728 23420092 51351992 45871200 7408399 8317545 23531922 29354534 47779596 43151500 5463179 7721261 30625276 22063822 19938574 22188220 14438348 8283495 9514873 18985418 31705270 42672884 21884578 28359352 25929788 23168358 35040596 31150224 7649412 15988805 14313646 35930148 43932592 42286044 28545376 26674236 28834110 44999600 848127 35767040 32626308 22769340 27474350 19601006
carboxyibuprofen 3675077 24334 35726488 3195988 0 0 0 0 0 1846973 0 4923340 0 0 0 0 73283 0 0 0 48956.9961 0 48223 34764940 23306 0 0 0 0 0 0 0 0 0 0 0 0 0 427193 11709767 0 55182 5341094 1016796 7085501 0 4837487 0 0 0 0 0 0 0 103255 140860 0 0 13619200 12727213 0 0 458296 0 0 0 0 0
carnitine 119284432 123252112 29525116 35083100 13011889 18350810 19236396 2405225 14438856 31883144 7603480.5 8024637 6471838 6634680 16913854 19375744 23176546 2130675 12960159 6127239 50918972 39093148 10117124 24114662 76782856 33288168 10368166 28689240 16772340 17473740 21246982 23970648 20495956 19072076 76664528 40955480 15710239 16058302 25266848 44515352 12564932 74872944 13344934 11487524 8334312 6442281 17404606 68534304 7424832.5 912105536 116460840 86661384 50628668 26449520 18192644 9195259 48529780 14535850 13322142 28496544 18984740 25961576 13590555 46361844 12822193 8804698 16128414 44064656
carnosine 57749 138937 383346 23385.998 150213 244366 158291 0 1487017.125 537049 168391 72318 0 0 45287 0 0 0 0 677087 194083 0 313889 157341 0 0 0 0 656618 47753 489476 233864 480285 515948 0 0 151420 55768.9961 0 119315 0 0 0 843943.9375 148001 0 563466 50311 0 0 8076590 6121710.5 0 0 0 0 169803 374937.0313 0 0 195724 95632 0 0 0 247619 0 0
carotene diol (1) 105242344 32997578 39152624 28075064 30126140 10229029 10172094 14342190 18197308 45429408 32032450 22849720 27604724 33725292 14030634 33319260 57733940 11587732 82151752 22800464 11124011 6046496 43930208 37796380 78728528 18398016 29235170 21180874 29356544 26525284 15163687 26926796 25446632 64015960 20911560 24669434 6916795 6124755 122178416 68670528 57139064 134579056 10928320 12993739 72535648 32265688 58699264 33086728 53363344 12514231 7119489 6403040 29266554 24974160 111015536 48609524 60439176 75127200 27349240 20310900 16962948 94668512 41132968 44335480 8847438 2864937 9135200 23584236
carotene diol (2) 7161495 1854080.125 4122747 3336503.75 2330140 1409702 1193801 1167057 960795 3084687.75 4672668 2310161 1971834 4292440 1914378.125 2075775 4485253 843838 10061419 3081809 1576995 642621 5171603 3274263 8869564 2522752 2334712 2152464 6382575 6961837.5 2924324 5850329 5205069 3989863 3528259 5124761 694732 998854 7512336.5 7632923 3931942 12516007 1097955 942753 3933199 1426644 4666854 3551479 5122038 2059013 1828704 1134225 2444899 1860025 6774963 2530575 3551976 6403500.5 1892767 2324364 1544001 5816379 4056309 3237622.75 2043657.125 651902 1122172 1602792
carotene diol (3) 1632332.875 166803 1568121 1579910 1833728 278553 654823 566298 406097 1037985.063 1592520.875 899526.9375 814021 2838842 568706 718923 1998905.875 229497.9844 6203866 1488129 425433 186697 2947659 2137939 2248476 1020672 1371589 1590192 2620174 2847092 1288619 3388527.75 2329569 1558511.125 1297483 2256499 263944 249246 5562365 2909983 2160144 4021135.25 205876.0156 234602 1374800 248943 1092138 1710060.875 0 0 838980.0625 300570 1665660 0 1389855 1488543 2009299 1426414 474714 620423 170278 1914020 1910959.875 1666409 826735 239018.0156 222379 410583.9688
catechol sulfate 0 72321 0 0 0 654631 0 0 0 31573.998 0 0 138273 0 0 0 0 0 0 0 0 286056 0 0 0 0 43912 0 0 0 43021 45454 0 48678 0 0 1033650 370906 221859 0 0 3114137 0 165658 221340 89975 0 15782.999 0 0 645949 318544 2949116 4116370.25 64611.9961 0 0 0 507722.0313 5081332 126295 0 0 0 119306.9922 20355 0 0
ceramide (d16:1/24:1, d18:1/22:1)* 1898752.875 0 83859 89823 514177.0313 0 0 0 1045058 1116135 353495 0 1407272 1828890 205757 0 0 0 585918 3079556 1124706 646134 763090 0 0 0 1794746.875 1974283 341982 132769 537991 520096 379839 805364 0 0 990735 1080216 0 0 114430 0 1464639 3118632 0 0 1782132 0 0 918297 0 0 0 0 0 402805 485381 1391869 0 98974 689806 2178979 0 0 889446 0 0 313582
ceramide (d18:1/14:0, d16:1/16:0)* 3938549.75 2436105 778897 322972 1287080 5457847 737454 1403870 4227989 3732020.25 1539297.875 327020 2607708 4282410 699436 727754 376957 90622 4661067 11513854 6796016.5 6181065 2952385 5227900 459780.0313 406393 1820453.125 4833346 781935 610620 1136076 1628560.875 425102 1442106.125 285777 285617 4118101 3883806.25 240788 366941 1589505 1087999 3584075 4999872 640277 1034472.938 1836593 1459512.125 80404 2362756 1115743 1144691 4928152 1677198 1125601 2259244 1529867 2893223 2111582 727418 2262852 4583740 1404972 939743 2541499 5034165 802017 2076628
ceramide (d18:1/17:0, d17:1/18:0)* 2085080.125 878594 431853 190958 428366 1472477 436942 348233 1586725 1777808 923466 254246 1114005 2306919 632420 459891 420065 0 5345976 3225070 2692848 4397862 1688812 2826508 257981 244016 824594 2564860 1096178 1391377 978809 1403809 239237 860486 815503 0 1673495 1388900 0 0 1958754.125 1283301 974094 2370722 349610 184952 983430.9375 948899 0 899095 735761 559866 1887359 948928 760502 1131098 1021445.938 995022.0625 917310 267648 1046511.938 898445 231558 1419399 1836285 1463475 984730 1568159
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* 9202687 5344960 1029966 482695 1962518 4933356 1759186 757475 5329665 5500744 1601575.875 548543 4861712 8143862 1870110 2086661.125 0 0 2711982 16588507 3313439 2256038 6460566 4226180 0 564998 2264718 5801747 2569122 932657 3473101 4461901 3545018 6060675 55915 135032 12797832 8764104 0 0 1597897 359266 2397391 21786796 2960791 701960 2649249 686939 80283 3318327 793315 622658 7026309 1694653 1795438 2362600 3185454 8963356 2553929 1872500 4832434 4710194 1358097 431858 3839184 5099286 1087438 1896883
ceramide (d18:2/24:1, d18:1/24:2)* 1850836 1162776 384895 37003 363548 2662093 437365 287574 2104730 3115464 990085 214161.0156 2859810 5307434 782940 603058 0 0 287742 4116281 2270716 684601 2800683 2194696 0 214087 1062630 3514163 1128617 142682 1369192 2548151 1392565 2579850 0 0 3120935 2279078 0 0 343200 0 6413195 12157372 1510962 122330 2564299 576506 0 3479570 265031 150208 2789540 757630 652226 590168.9375 935907 3200521 529211 493845 1876720 1316283 778987 242201.9844 2944934 1648294 584390 2097968
cerotoylcarnitine (C26)* 145896 49837 540293 601730 199381 160318.9844 0 58295 157797 197384 305026 184774 87381 72655 198860 121029.0078 125649 0 323075 176086 199039 176830 139720 241826 161983 99457 102431 218881 239185 234302 326177 400121 131108 112912 223575 154101 127167 137850 189242 151804 108283.0078 127665 90988 136845 127489.0078 195660 94208 317987.9688 147883 216437 91780 110011.9922 0 87457 183014 178061.0156 153080 126057 207355 74398 137028 0 222402 293714 208233 207255 113183 134132
cetirizine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5706335 0 5849616 0 0 0 0 0 0 0 0 0 0 0 0 11822870 7802709 0 0 0 0 0 0 0 0 0 0 0 0
chenodeoxycholate 0 186401744 0 0 0 0 128387120 0 0 0 0 0 0 0 0 0 0 8154129 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 407751904 235078240 0 0 0 0 589796672 937211072 162953584 0 0 0 0 15322458 2574507264 2287213568 0 1029306752 0 0 0 0 0 98827064 10462890 15136656 0 0 0 0 0 0
chiro-inositol 116054.0078 82479 0 0 0 0 0 2596354 0 149057 0 0 0 0 0 91598 0 0 0 0 24501932 1659682 148585 0 0 0 552064 135049 0 0 244447 263258 0 0 0 0 1727793.125 0 0 0 0 0 4456718 300536 1963943 0 0 0 0 2705694 0 19574978 0 293131 0 0 0 0 55174 0 0 0 0 0 1562364.875 0 103759 0
cholate 8916383 13573029 7185086 166645 3658302 2778546.25 302379296 11938349 227517504 9305564 7397881 1494408 1079673 72933008 144454 269261 54419 9396149 756656 0 4842404 2210378 7129732 3476877 213753.9844 1905779 925119.9375 972926.9375 27875920 759675 4435174 6161384 405712.0313 62971504 71465 242002 499625440 114829584 0 4503052 389150 181816 694107456 1353419136 70862784 3668404 87651040 29432632 0 42058204 3914526464 3623792128 396844960 1482457216 0 0 17704262 6075851 758267 10102580 11597282 21217738 81713 132652 12922460 8990775 151706496 0
cholate sulfate 63769 326873 1677037 0 0 1405342 508516 321246 945620 514203 3699038 467647 0 0 1270131 1513083 0 0 0 0 1512063 1090333 10414999 6645045 0 636785 413885 515132 0 0 2247478 3981554 0 0 0 675843 2675321 2164474 903562 52431 0 0 77537 624038 2470343 139569 725327 2307196 0 160931 1568156 786695.9375 819751 1026571 0 0 3245616 579685 0 96671 2646853 585785 0 0 4012077 2615454 0 0
cholesterol 96540584 90764472 633030336 902357952 71229896 296372512 118511216 122981488 187631072 160139712 762743040 492477024 357136992 592071616 215783376 222657296 91582664 38960936 53308232 173521856 203841616 255159184 606070528 799646848 119760664 128309824 93349064 36332280 51685024 38144324 496073312 800852224 28776006 27594174 774060800 943555840 308358976 288845888 144959392 26289522 20772224 23229892 56812140 165792224 255157920 110262624 172338544 222638048 136765648 438264192 185666352 138682624 229070608 138174832 23197404 17095880 53598544 178348784 284698688 58542532 177916080 263786256 53468036 26365640 174106192 153488656 177735440 260574800
choline 125042952 76453424 32036450 18301112 154272992 122085176 249515072 127282256 217532160 89395736 62004268 44532132 95802712 134060552 8966675 12810057 20652670 343714336 15119610 60039852 77079064 93698944 45925280 26857818 14789945 40556164 51496084 34091004 82442688 65436792 59382240 52648120 51227636 150004256 10590803 27926944 168258176 163954192 31095886 61103324 35299536 30303808 320919296 254236944 185935168 50831956 167990784 91176792 22613826 189029664 138767456 151874960 107249584 283565952 24962502 27591228 112010744 111923104 116216408 140383952 42837464 133764952 7820923 20146380 88034648 146294000 128262520 178134800
chrysoeriol 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 162282 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 708789 58968 54647 0 28934.998 0 0 0 0 1901153 0 309366 0 0 0 52139 0 0 0 0 0 0 0 0 479395 0
ciliatine (2-aminoethylphosphonate) 0 0 0 122687.9922 0 0 0 0 0 0 286310 301029 147043 0 116419.0078 638311 0 0 0 0 0 1307944 70030 390901 0 0 0 0 43791 0 561474 448737.0313 0 0 96984 0 0 51700 0 0 287747 0 205302 146694 1691621 1188435 0 0 0 0 0 0 0 0 191776 318871 720466 464806 149518 0 3776585 0 68237 54622 62699 80393 0 0
cinnamate 86494 0 0 0 33183 0 81786 0 0 89335 0 0 32915 78950 0 0 19670 61144.9961 16150.999 0 0 70422 0 0 232748.0156 0 55469.0039 0 0 0 0 0 0 0 0 0 0 0 0 0 0 466829 65414 0 0 0 26442 0 0 0 0 0 0 0 0 0 79853 0 27800 141560 0 0 0 0 0 0 24013 31095.002
cis-4-hydroxycyclohexylacetic acid 4736469 2001204 879835 1160275 3623587 1866126 1404987 1342136 2359003 3065193 2514874 4375747 2950359 3089700 0 0 1092050 1339129 3171329 3102778 1050276 956606 2943389 1111561 2405905 3206298 1977501 2599771 1009206 1828692 907757 2342333 2868807 3127908 872152 2622866 648556 740352 732088 1207258 1412083 1464881 0 0 3138035 726031 3357630 3036987 850528 0 2624742 0 2043629 881482 2081141 0 3917125 4682456 1539967 2468070 2598921 3934727 0 1081495 1164239 996689 2220823 2245953
cis-urocanate 792140.9375 63033.9961 139220 166081 237096 223608 238018 234765.0156 466796.0313 324868 378337.0313 192133.9844 524056 194325.0156 234977.9844 198572 430862 219813.9844 447701 409616.0313 412615 395439 233047 451557 0 455568 278342 342108 216110 95705 0 533962 279168 211486 358076 188258 556084 583014 455287 183640.9844 103276.9922 306418 208570 459111 288018 137950 650031 842584 445722.9688 2591960 818588 444261 1089618 1396836 417520 172522 358132 683929 502162 0 359447 382797.0313 321287 362341 171112 630919 695611 466344
citrate 9167793 0 825063 0 1578560 9330851 7280410 12380757 19214062 5930271 1392041 774947 4607447 2847144 8958451 601983 2510556 2412882 0 0 431352 3228141 0 0 16098735 3710345 6514181 5252566 2834729 485605 1136106 0 1402779 2171841 1720042 4260081 4007276 3334394 13316251 5768515 2344790 18211378 1468128 3188412 5311915 2412799 6384969 8230140 4308676 814800192 4363918 8284098 5278556 5732849 523297 0 6044156 4230763 7190462 9006753 8956715 4449698.5 824071 0 0 766549 0 51505
citrulline 947020480 145425264 359126304 306625984 594686464 635541760 539425408 490813792 897443456 1101661952 817277056 672312256 853462080 786670272 317732256 297363520 268747840 301970880 575837952 664864256 823221632 627827136 654182080 642939264 122817440 634322624 742831360 551219712 368151008 333761728 588348864 792225024 807893376 848203392 310439456 305098080 758563584 763022784 418433120 252815120 291301760 260355808 1349194496 1472460800 177276912 267414176 1257502976 882311424 499463904 256958240 1190466816 745170048 786110912 887191744 566748928 228526816 539681856 651818880 860535168 415605696 437087136 667279296 210364928 266617312 337435936 604201728 387107200 422733376
coprostanol 35698344 5170593 35138152 38939944 24904046 873013 457463 0 5624268 13685161 0 7693550 0 1387384 16679076 13491429 5649672 1203111 105915544 25108152 0 0 0 0 6727915 3162493 14146183 13674483 55493708 54025880 2911166 3718378 49444536 41318328 30476834 18474268 0 0 9482173 10271302 21563876 25203158 0 0 2523590 3189435 0 0 5865146 0 0 115910 0 0 12043520 13475568 51496896 60212496 0 12310792 0 0 12286856 23328448 928155.0625 0 0 2140890
creatine 14525067 5791669 2193230 2532351 3304525 4300672 6226533.5 3584102 180738608 3636735.25 18651588 3290895 3474023.25 6827557.5 2058613 601304 2245828 2066280.875 594393 6519759.5 3497299 17946700 1903852 2434432 5085469 4289048 1436319 2312947 12241190 2952033 6122163 10453336 14366656 6739057 14922481 19631420 94845872 6540867 50163216 4057684 6773131 201316208 655833600 20948972 25314642 9939879 6987986 4125478 5546999 1866684672 40030440 1024473920 8440094 492979424 7985942.5 34514712 2492039 4779349 14612921 68020896 3917455 5922306 1705151 3260299 3796616.25 3744133.25 9437721 306540704
creatinine 8762834 16988030 3030412 1943920 2370169 1518659 241850 215552 14084546 465193 80999760 2062124 774495 571490 3160604 402919 42807 511147 783473 2448492 9031289 108282112 1316988 289453 1227963 917823 784970 1477218 16171804 717644 5290437 1011113 11822611 2045064 587666 355179 357538080 1762798 181378416 46098808 2088332 394546528 135928832 309732448 22623028 2300323 4390225 313695 6474358 336372512 30219300 297785568 1278080 75699160 1183785 12366254 1245633 5789657 62072672 16010691 552752 868494 2160926 3741665 15640327 254290 222703 9185797
curcumin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 65835 0 0 0 0 0 179706 32818440 0 0 0 0 0 0 0 0 0 0 0 0 2335831 0 0 0 0 0 0 0 0 0 0 0 0 0
cysteine 3550568.75 2678210 1872335.875 1591142 2418030 3635286 2475366 2150476 3104619 5477687 5081547 5638185 2003824.875 3618902 867916 1265532 1286420 1038742 3781313 5733381 4368872 2942480 4403447 3822619.75 3103655 4590792 4830188 5035835 6465026 5304487 2396030 2350312 5132079 4379938 1858308.125 2062349.125 5566657 2552668 4382497 2645963 1955538 1401683 2131866 5180367 3550659 1766178 4371756 5491082 2328901 30320686 7439567 13168506 4168003.75 3455790 1499232 740607 3648225.25 5616389 2215617 3444857 3595004.25 4612017 1522101 1623977 6338177.5 3434522.25 786324 549174
cysteine s-sulfate 225226 0 0 91508 366193 113651 188488 165191 411714 415966 212009 366773 309258 162791 0 0 155429 57586 204649 262197 0 198317 149060 210110 115755 388180 302439 88045 157435 66508 83815 529909 129705.9922 477280 0 0 597089 852918 301068 0 139834 100232 208607 580257 156494 185022 641593 369537 392033 398225 638611 0 406661 159255 340587 0 330990 540516 173578 137532 169481 751901 0 155005 198467 398061 42984 162186
cysteine sulfinic acid 233098 141654 84137 63084 89575.9922 105157 59343 67739 395344 359942 90924 74378 73379 183623 0 0 67985 0 78668 127294 112022 113132 65414 117918 179017.9844 239201 174896.9844 116745 107075.9922 142910 49986 77749 158379 152010 0 0 587068 286685 258389 66871 0 0 213373 396124 123646.9922 42989 490979.0313 326231.9688 141343 665142 260077 293724 321643 197406 106378.9922 0 170246 248521 46404 62000 54794 340412 0 0 130022 198023 0 115827
cysteinylglycine 184387 227237 0 0 74097 553744 503117 376842 0 409097 427739 311921 0 202005 0 0 0 0 0 282379 1284159 952169 0 163475 0 94064 589464 655654 369612 247406.0156 147872 120742.0078 384851 389668 0 0 553422 251835.0156 2134738 955925 0 0 914713 225280 1511590.125 758504 130382.0078 1346898 71269 676420 1197180 3005047 694060 802881 0 0 0 0 392405 322807 815742.0625 986344 0 0 1115495 1286372 0 0
cystine 1023731 0 1292756 732155 307948 1029458 1029757 872632 2648022 1565746.125 1187627 837766 266657 355631 0 102917 66333 91339 859776 709277 1171785 2232524 1140194 1914092 0 1809815 747041 337903 217796 0 124733 618021 332207 1218154.125 0 0 8387394 4015911 3863353 1567698 0 0 2720228 6980508.5 253462 515830 7673926 3503313 878907 245924544 4757235 1397694 3287241 10050762 210686 0 714475 1625549 816094 101708 1136884 6397680 0 0 0 1644942 0 0
cytidine 12897249 10820411 848660 887827 8809194 5030349 22210648 28147178 30353220 24063128 6908764 2309869 7200037 13035168 1661508 3109543 1882849.875 8010819.5 3990804 6460520 4555997 4343827 1814053.125 4091058 293287 8851084 10049479 6900419 3085681 2274221 2249407 2089693 5257817 6707478 651505 1017152 42297384 75818648 3512038 2412500 4127530 2176328 2405320 35317960 26950916 13837687 16986204 5273105 2926754 432395 89006048 31179020 29435856 18357960 3689651.25 805587 8605698 12615978 9233321 16547157 7521629 18850420 964175 927618.9375 5358551 34791020 7074076 3400912
cytidine 2',3'-cyclic monophosphate 165367 99089 0 0 134537 0 207385.9844 110830 142744 209537 336415 147428.9844 150816 167568 0 0 0 231473 0 0 132681 62949 0 0 0 0 0 0 0 0 0 0 178166 140962 0 0 165192.9844 162541 0 0 378617 78739 886279 528813 0 0 0 0 0 0 267821 408535.9688 62823 155915 50864.0039 0 127638 563609 277016 373254.0313 0 88885 0 0 0 244406.9844 0 0
cytosine 727559 377349 396825 251560.9844 1334109 619132 1764519 1118914 1434530 1546804 988226.9375 3305593 1458278 2683453 340929 614411 237840.9844 465049 1060458 1521749 434450 350879 274400 0 197145 430578 2251098 2123669 2601936 1977240 470001 768544 1567601 3117005 432901 360394 3911535 1178980 307487 470939.9688 705017 335430 0 677802 1528371 1141061 577853 248823.0156 723652 747882 2361012 4333148 1554794 1631687 611160 225159 1484219 1512080 991315 388590 1293350 432651 497565 551223 1580437 3712721 965790 669886
daidzein 1220025 456844 0 0 2317847 874912 113110 7563162.5 11015992 11830553 238357 337477 477665 357808 392407 438087 0 1413654 264225 76917 3170175 1441688 531421 932185 0 0 0 0 126008.0078 422609 357391 278179 112954.0078 1815518 0 117342 5023968 194743 432706 912857 33577 0 2956665 149132 188828 38226 648873 3686805 0 0 1997094.125 6129341 292000 0 560310 1292810 901122.0625 520550 0 168329 101842 743973 0 0 30646 0 81145 446126
2'-deoxycytidine 5'-monophosphate 128030 0 77699 0 737425 530542 454851 174313 0 0 1369931 2254683 3581333 4316518 0 78656 0 3029001 123520 0 308970 74908 1164039 359747 0 1565772 113741 287003 186860 530126 56583 111064.9922 1214413 422882.0313 0 722874 400330 134811 174853 216363.0156 89374 0 1804848.875 644021 2909154 1973572 81212 0 156175 0 0 491458 161238 845952 593500 0 259243.0156 561969 2985744 711135 128301 114793 0 0 469155.0313 136574 0 0
dehydroisoandrosterone sulfate (DHEA-S) 36238 255912.0156 0 0 0 10710352 17453164 10731759 8725201 6699740 22763022 17696012 382269 168757 1865628 1504136 0 269766 0 0 354361 434473 5230460 4236918 0 420306 7885983 12832457 1260238 1110577 1492768 1955967 0 126109 0 2380232 1918053 1722713 487472 347729 0 0 2481974 4707478 10294018 135765 93392 8219649.5 440761 323291 15867231 13578176 23171588 17486488 2096047 1279645 13674568 7233516 242682 1525410 6402363 8347155.5 0 0 355984 1803854 5357956 5265454
dehydrolithocholate 25564744 5587676 44582468 175785408 30716902 9156488 21821072 14159367 84012504 136759504 23938044 17433986 34813344 19483698 8864328 5793383 164989168 12360787 20276948 39257996 61211392 825534016 31726568 36857412 21857412 29488862 35780956 22958388 154588352 190222224 7205188 18916744 22451936 44071528 212435648 77199192 5121245 22189440 62636316 17270160 44634772 73051344 0 0 1825162.875 2880783 44973948 140142560 97904384 0 0 0 17140524 4742082 19868928 26083892 79361208 21091954 13776383 4898991 32488926 29542304 7285377.5 18916972 10144936 30234676 202752640 321957568
delta-tocopherol 35274856 10800455 42429232 28275268 13861242 13717490 1985441.125 10425040 12957810 21734986 17409872 33188328 21263488 5661180 32411576 35123476 12447905 12333450 39347760 42141408 20826976 11029270 29888220 26951612 5483458 41026152 33961900 23866036 60734904 66122112 33559412 45109708 75929952 46075944 24721160 28047944 6679281 11466082 6383414 9077688 13543036 5796345 4769118 14315100 6646175 3938232.25 7318929.5 16733237 7094340 5696620 11822296 8197736 7346993.5 8473887 16097363 31695596 20635996 20140548 12083357 8787158 6399337 3979473 18422948 21631246 21348570 840180 2193687 3626766.75
deoxycarnitine 653727360 418267168 203247472 449890112 194598624 399999200 906502528 460055776 311338912 524985792 792561600 373842080 116492008 154766688 136668240 135120992 461158144 214310256 158230624 134655040 300441952 562760832 1008124032 2041678464 329298336 610867776 147475760 399142144 304851360 329193344 518766976 690472448 116427592 221055696 440403584 644691008 382378272 590149888 282462080 201177232 161135696 254102672 609532480 269834752 736701056 845897920 286535488 621884544 866053824 50193876 1204616576 168150176 303565888 260594336 517512128 119332896 235417824 157591008 477095520 940512064 1183261696 1002149504 178319808 217865136 580779200 777938624 365363328 305711648
deoxycholate 1099806208 929979456 2185361920 1770529792 2088251008 892280000 1733780224 1457089920 3003439360 2709440256 2458803968 1691383168 1266984704 1361369088 719225664 633546624 429894272 522187328 1814386304 1832375040 3125440768 2083601152 2648670464 4037606912 122498968 803377920 1238971904 2137260672 2135978240 2679689984 983106816 1523737472 833686464 1872176768 55442572 589150976 756747456 1596185984 786300032 548966208 158844592 126599800 0 0 747552704 433565248 2984788736 3237797120 149777664 0 0 0 2434983936 1526441984 1261284352 534171104 998247616 869489856 1521019008 1007078848 384781184 468972352 73408112 466022208 1712239360 1078373760 3842630656 3881192960
deoxycholic acid sulfate 853178 5767370 221046624 0 1371754 532140608 0 0 50666288 47499300 38123680 1406461 164078 185014.9844 145732048 141592688 0 0 35917 0 110521808 62513144 862897536 965827840 0 0 0 0 5905757.5 0 60330208 260711040 108872 780655.0625 0 0 56491640 45250160 600346 2940232.25 0 0 0 20392 94723448 4460393 57092972 519935552 256736 18966940 0 0 500206 0 0 0 0 0 0 20668978 77489352 0 0 0 229358816 184915856 0 0
deoxymugineic acid 258298 927176 0 0 0 1949656.125 16747381 4346063 247192 432915 15613866 1306365 0 148289 843469 1351910 0 0 0 0 9704107 2409894 3288848 6473303 85906 0 646979 479772 0 0 3609981.25 11003497 0 935164 0 261602.0156 2211261 7935978 11897331 13773361 0 0 2960733 2398820 10535543 7543092.5 13018663 4750272 3477182 1795291 2428330 4455855 1075449 6891841 0 0 0 1784356 0 687786 5586177 3709088 0 0 9907116 8942936 0 0
dexlansoprazole 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 81315592 175004608 0 0 1131727104 1166943744 68068 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
dexpanthenol 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
dextromethorphan 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 731027 0 0 0 932693 281017 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1198901 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
diacetylchitobiose 0 0 0 0 0 0 74307 0 0 0 0 0 0 0 76521 0 0 0 0 88281 0 0 0 0 0 0 0 0 0 61578.9961 0 88772 0 55657 0 57404 0 0 0 0 0 1007595 0 0 51065 0 0 0 0 0 0 0 0 0 77399 0 449074.0313 0 0 0 0 484469 0 0 0 0 0 0
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* 284072 14694073 421894 699408 774466 0 1705202 3106787.75 1231195 1314955 866609 1711684.125 4469189 853013 3020644 363991 84230 2081161 624328 1479187 1219905 1405289 1882621 282336 142096 899960 579446 529309 138561 200623 3209635 766582 0 143643 0 556837 538569 436064.0313 1099171 3646403 78514.9922 0 3256921.75 1545510 5986152 5149067 85399.9922 830623 744078 799681 522883 269444 635631 17232380 2991438 1481275 1340350 298967 2525174 21454928 2425908 4276184 1147499 360033 0 0 60569 233207
diaminopimelate 2142883 443289 201306 254800 244263 260396.0156 498038 455103 1027294.063 1303618 0 102352 136061 176266 0 295048 58697 0 784154 348212 1458445 965203 329488 157204 70191 676507 295504 343037 832849 1165269 561412 518867 219217 303701 0 299291 470045 369496 0 231361 382647 300365 494109 1434184 0 160211 1094036 622702 0 0 2214301 5705841 541858 1142061 305577 729714 714801 1091596 333490 249950.0156 115551 416564 0 136321 941008 730607 294416 396299
diethanolamine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 27132150 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
digalacturonic acid 316309 311213 828166 0 0 682690 467168 1270175 167394 268090 167164 0 0 0 36152 0 40765 213357 0 0 0 0 40277 23783 0 66014 0 311824 0 202900 0 0 0 0 0 69943 0 150624 1268971 472870 0 0 0 38731 2135523 392027 900550 0 953526.0625 787189 0 0 585358 572533 137338 105054 0 162330 49154 430583 273362 872073 0 0 0 0 0 0
diglycerol 9132391 3975689 14840284 15632158 6815289 7200656.5 1631763 1171130 1234809 3568993 1108505 10640924 7337467.5 3351327 11466269 26945850 5858035 4190232.25 836044 707517 4306584 901752 4474696 14824896 3109395 3229118 1173616 743490 3069705 1950393 1633845 25460186 11377622 11143108 10287355 8827940 1265635 1027658 1422174 1687805 4517453 10338674 1368200 3834503 977945 406456 3031096 5270100 4581768 3306557 5166222 6426623 3382258.75 1991826 1584453 2297681 6513180.5 12030703 4388113 3732149 5548786 1667589 712136 1279536 1851600 373588 2759931 1442560
dihomo-linoleate (20:2n6) 7659030 17053056 72484080 138213616 39405344 78509184 5662607 6038388 46339996 21643988 8129393 50295848 128457672 42614196 63556240 55947272 693205 954401 12434094 55075760 11071792 5775602 188477072 269357312 2281402 87208960 1693530 17929990 26055304 45514600 62262216 63443412 63476064 107949928 54998584 26304960 41469528 14749460 27081730 27521364 27715518 69257568 1782654 296714848 33225152 46723248 27844132 75706416 32274754 5536662 31852092 13504418 63602032 8175254 182716944 69608040 195311456 98543336 22677660 1695092 527577504 67898584 2925300 8546928 6001569 142524144 88731568 275221088
dihomo-linolenate (20:3n3 or n6) 3448764 6795722 160715312 17079744 11560261 49648380 12242293 22635104 71979528 8680033 26540650 145320624 8451313 12455717 31769392 20374710 0 183946 1028522 8538084 113634176 65431000 107598136 195766528 0 17346342 544651 6069506 12083427 8618494 100621352 184757920 5431748 7506371 1697294 967656 177040208 149472384 13288770 5422068 0 23011768 1455397 43506872 50737888 17440884 52229104 217873152 96104080 21461704 139709024 33352528 178121152 15547475 410097536 26774248 31182588 28057808 2494040 1051898 105118760 48313716 380446 536445 5970573 45518264 117523808 109925520
dihomo-linolenoylcarnitine (20:3n3 or 6)* 668519 672804 873252 478917 1218582 652812 1057330 1288372 1646942.875 1547027 1175760 971027 950650 1249446 401044 315080 510767.0313 475317.0313 467203 842213 1294720 627127 1191613 1708932 0 494465 663501 777952 417705 454905 524657 667502 751420 710556 100709 501660 576286 875664 551764 328521 210913 103162 0 0 696313 363951 1457326 1436370 0 0 0 0 1409367 859697.9375 643661 398913 492780 506248 659818 717229 434714 0 141889 512099 826481 702298.0625 1694473 1857669.125
dihydoxyphenylalanine (L-DOPA) 4776999 2188517 0 4730849 6725880 3062645.75 2776675 0 2079377 5540832 2060488 1351990 2570278 2090832.875 257598 3723545 2952236 3363700.25 2344049 5145989 1271026 1239748 3382028.25 4097991 3924611 1985756 3809602 3863330 8433011 7596041.5 1325336 1258451 8883279 9849135 1574055 0 894271 364487 2470991 3274770.75 3397537.75 4997564 455895 0 3280156.75 1311596 477960.0313 0 846475 34444480 894513 1548516.875 0 698104 4647890 172963 2555610 6658179 5311598 3565218.25 918254 1587274 3908177 4257519 3720223.75 0 782759.0625 1198223
dihydrocaffeate 8690362 23525792 1673444 508902 634496 11784662 5396437 1462453 4156921 6460665 8884876 249596 49317240 27101000 380313 181281 55977 706618 223078 380367 6388129 10663687 275133 111852 75312 0 14240697 219942 3677075 473136 421190 1318893 441153 1274406 285351 2150600 17818404 2580286 16332388 10656588 298641 3293625 26086568 7713880 4011491 1315259 320986 439911 359849 0 6433369 8111458 52645652 52093064 950440 395034 1857997 2316822 4427787 27027378 16401036 2843935 152428 243448 23379390 15021853 947185 1213518
dihydroferulic acid 1344918 951394 360399 477918 930618 495956 1653416 600645 768999 564412 519760 981370 576567 1767418 0 345394 262166 175419 271794 383200 580708 1056263 109563 147353 122405 231482 790069 563579 664638 543129 329936 625887 473424 851265 669237 736567 550437 436512 371271 490680 476267 1007770 647529 748515 590026 969957 462213 220532 507131 0 451408 7811088 2847740 2630672 268046 266043 1061463 1144809 737501 865485 141729 282865 266222 368591 363222 437050 145103 211575
dihydroorotate 307111 0 216715 88490 100841 2032029 68225 0 0 0 0 3613547.75 505048 221975 614081 1446349 92148 0 1388997 834578 271923 0 98994.9922 149773 40834 73629 334503 495972 1393327 519354 476219 1140659 9293581 2430012 2697295.75 746784 298013 220620 0 0 1990442 2898733 177070 339586 134559 111036 253691 504943 1520995 275924 139992 168701.9844 372843 722276.0625 569884 310424 229340.0156 1041088 1696116 796060 111297.9922 540703 160502 2710792 0 0 42601 237147
dimethylarginine (SDMA + ADMA) 3720238 3573921.75 748343 600082 3125846 21552824 2547500 2393802 13734847 7616188 31463510 33864368 4022044.75 8995193 0 0 0 1167155 554921 2773157 35154504 11926904 1552302 26193324 312171 1949884 14712464 6241287 5801202 3957087 3234886 3665584 6214863 19093104 282746 424426.9688 31325304 7272300.5 24536774 2948707 276795 8225415 47664896 40014600 5992206 1364857 15557849 3288543 1389729 71873280 18685904 42288124 12452040 21260924 1164550 227786.0156 4104830.25 7677457.5 7188815 5056582 15928675 44323480 866034.9375 469265 31743054 32132268 3933252 3826291.75
dimethylglycine 1434187 504845.9688 1362687 2111830 2038076.875 1451149 2705745 1938734 1562114 3048778 1605919 2629635 831418 1037166 1122578 2576560 2865907 1318186 1030038 1155049 2711677 3207264 1214739 2649990 3674922.25 2250679 1778841 1931506 968888 1487000 1902082.875 1954927.875 2719205 2971899 3720385 2434776 2651345 3104004 2304759 1699264 1583760 4692573 1594812 2764435 3516637 2066047 1820910 237056 3009259 893607 1598715 1166467 1336668 716073 4205690 3134681 2000848.875 3379499 3231312 1304219 1142044 1059182 1384037 1495381 2198032 1266916 2154305 2531402
dimethylmalonic acid 480422 131068 158816 202110 238895.9844 345888 191922 0 354046 338188 245828 360041 575181 345540 205989 0 522764.0313 218313.9844 473483 0 0 0 355078 472160 979652 399483 525546 350591.0313 208956 287200 463198 425381 309174 200085.9844 478011 897300 287156 0 608734 355034 155070 536985 0 0 159596 106248 291051 338118 359110 0 359358 468833 0 0 0 0 527359 601566 376275 467666.0313 119768.0078 383582.9688 253660 386790 322333 350518.9688 0 0
diosmetin 0 62440 0 0 0 0 0 0 0 0 0 0 0 208589 0 0 0 167226 0 1248944 0 0 0 0 0 0 39222 43271 34408 0 0 104593 0 0 0 0 0 0 0 0 0 0 30915 0 106636 0 0 0 0 0 16717 810837.0625 0 0 0 0 0 45881 0 0 0 0 0 0 0 0 134467 23775
diosmin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 91694 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 83406 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
diphenhydramine 0 231664.0156 50260 4521557 0 0 0 0 0 0 0 0 74712 0 29000084 0 0 0 0 0 404051 0 1405274 0 1915148.875 376904 71794608 1315631 0 0 11146203 0 0 10459919 0 0 0 0 0 1483487 538940 0 0 0 0 0 0 281506 618842 0 0 0 0 187981 2257310 6836036 0 0 35211536 13919601 0 0 0 312793 0 1777030 270185 0
dipicolinate 7426497.5 5066205 964472 1065321 1083096 774774 1517379 1844750 404761 451293 2901734 1289245 398552 427012 456158 518515.0313 1421579 354210 1828637 662859 282515 528279 2325113 607287 8722733 4577782 733541 888818 2128435 1884262.125 298157 253499 1363565 1982931.125 607642 1674248 216298 97713 1080315 1153841 536881 510161 0 240460.9844 1881399.125 2096204.875 1566729 1270233 1354318 72404 530136 348056 49792 79651 714340 975286.0625 4039026.25 5264784 279104 306034 304464 758915 182017 459250 372350 207302 0 70923
docosadienoate (22:2n6) 5713016 1407851 3234760 23687320 7826715 3478170 437762.0313 343430 1735300 4479722 501510 2744821 38963084 9885947 1456543 1401258 521285.0313 247322 16752143 20592924 804713 441272.9688 3919242 4913756 2093890 11970354 1418299 2808185 12976790 15221205 1422681 1769342 97757648 58418276 57124992 52745760 1815993.125 321213 9341610 12148091 25524220 19180148 148754 14590268 1347678 768743 2951445 2170425 1827195 597769 686039 215502.9844 2190093 280007 6731806 19031338 3977699.75 1459293 8960048 457612 6642801 1781675 4187735 11880438 142326 2334474 6091400 19924648
docosahexaenoate (DHA; 22:6n3) 1004384 1832873 7096923.5 731150 1463541 18768592 1049753 511441 7309069.5 1501472 5965701 14706518 2318305 3362293 3092909 2290402 0 63164.0039 242696 4860077 1186045 1570868.125 14343911 43105088 0 1801217.125 732519 297518 899850 700669 10805236 3877601.25 2593297 2485777 861387 721704 7020470 8935506 332928 406512 943710 837338 991041 76130960 6793513.5 5452949 3890248 11699860 4734005 17151496 6070229 4750852 5834447 2786535 45812280 3953873.75 6423772.5 6334657 551669 212156.9844 4994648 17321114 0 273617 7079667 10501847 21119458 22062482
docosapentaenoate (n3 DPA; 22:5n3) 880048 2092006.125 35712236 1273800 3144964 9766991 2198423 4376747 17130556 2612112 4096489 29823672 1870692 1318145 16915392 9734793 0 0 304691 3672299 16292615 47017672 56548912 112214848 0 4553230 0 862113 1681626 1551100 16222010 37750228 2702059 3204867 917079 787553 27947716 21625196 2354585 581460 1123412 6024632 745448 124585552 16647102 6802396 30523084 229971552 21352488 2562240 19861984 4668287 53672636 3590718 30479472 2555112 17275204 6609479 1051730 0 39418444 69618872 237239 342345 3958258 32038938 13055154 14946263
dodecanedioate (C12-DC) 370018 177140 218269.0156 139853 112871 289934 158190 324988 741861 1294210 313348 268046 847376.0625 438738.0313 202043 197388.9844 3387446 1660785.125 190370 173723 153614 155094 500845.9688 307959 15774744 2040909.125 767911 419171 112505.0078 66577 332572 538046 369574 379777 196314.0156 2230006 210862 572144 332550 334541 4928001 1480741 248219 347119 725602 521095 1446763 386094 991651.9375 92933 151072 111425 379982.9688 217045.9844 1619385 517547 1225284 728800 346342 505039.9688 586238 654571 164610 758853 202013 229692 156101 218017
dopamine 4153793 1981937 1570419 2033660 2875244 2549333 718843 806248 439936 1281376 638623 474800 1248185 3036827 1864267 1052631 997655 1137035 629601 1052260 1907955 2612815 624900 465402 385895 971150 1061186 978081 2607467 6671771 587025 676895 609136 1318354 3012216 3435092 633973 2008549 2564903 2852679 2183909 2774754 151896 596130 414849 416713 7965960 4065058 628141 195895 425791 452805 2059321 1589031 645805 2406516 318633 502514 6756161 6301946 2307163 879192 1445966.125 1801270 677889 1027976 661617 1307279
dopamine 3-O-sulfate 0 0 0 0 0 111303 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 926906.9375 0 41878 150031 249609 27901.002 0 0 0 0 0 0 0 0 0 0 0 0 0
D-urobilin 24201856 9040173 68449304 31485148 2468378 14268979 11386498 7639551 44229876 29447266 28021108 17904306 1581542 2823936 15579315 6156859.5 1971316 12308015 1642885.875 296392 18304044 16422840 19856148 43476864 904344 2741703 2949341 9835030 3474366.75 2235314 25745520 27245662 5032070 11831270 661005 1100497 23156192 11649295 40381452 33520008 2787415 1592133 22202740 18891388 106650448 73992856 31456044 46642156 9198101 0 11819848 5327988 12564270 17117220 13971579 967303.0625 36742680 34061768 16342108 18659324 49953584 103534816 0 247266 8094785.5 7186477 125692 166380
ectoine 488377.9688 455910.9688 274204 616517 591416 977199.9375 364312 555847 238289 7949149 518923 3166563 190376 295066 1311522 1187061 445169 288538 808311 279060 412866 4407311 2044541 646749 342092 0 576302 1009660 634746 406444.9688 1593996 1784300.875 1401975 2041619 1237967 540513 572266 720917 886948.0625 990906.9375 2934407 7438992 663317 2809436 6165973 1275329 533961 1267081 2181011 0 797586 0 340665 686270 1296051 682414 1567399 3145355 1095844 464761.9688 1752137 380983 425648.0313 1582454 4252927 671956 1566303 1844352
eicosanoylsphingosine (d20:1)* 2032130 745456 3162319 0 2747433 2503329 764877 715860 9430057 14082300 1931007 3757488 5044329 6050431.5 5231092 2368401 0 197610 6753143.5 5730198 5962392 6117151 2764384 5325068 674710 2205951 7903933 16032554 7934284.5 11224606 2499768 2601505 2395465 5038212 735548 817520 1904535 3844937 668473 0 663127 220472 188517 983559 3155205 2057991 5362222 4722979 0 807485 2431215 2238183 1961344 445757 7464104 9258917 4086014 2473862 5679653 1873053 624706 494565 1494327 497879.0313 4557923 4821753 3818364.75 846057
eicosapentaenoate (EPA; 20:5n3) 1172174 589058 2292162 724568 2158748 2718336 951694 1012039 5590607 2385097 1838444 5217930 855033 636884 708991 535588 234163.0156 0 0 2694366 1967282 2841912 3050032 3207951 172515 1400233 627933 881724 534848 685977 3351966.75 2494686 1224415 938087 0 941447 2539564 3828709 451619 0 1298768 1546214 777676 20756424 1274330 1734699 5677006 4831290 1478899 2545832 4880057 3849966 1782540 1680497 324570880 3976778 4519304 1586257 1160148 0 2913552 5691125 163736 0 5504840 8717455 2469478 4317810
eicosenoate (20:1) 79131720 177136480 81440176 595259904 137770464 225772480 69861024 75396352 66592336 43959044 17697276 133812760 380715008 42564292 114292528 282029664 15060714 35776656 84180064 187319376 36311448 10669001 132106336 164720048 7498657 564391232 10721753 45761796 39511848 152940016 125782720 135910768 612200192 317070496 309054144 231936576 159135984 45184124 52276712 150082000 231980192 283493184 121887376 1368516608 245021024 477791872 235341456 193196112 194694208 11024873 34630992 20113588 255492048 103599096 176361504 193168832 445820704 88025608 139882160 16597824 479010272 212258896 43645180 206299264 10226006 193987120 324748128 447903680
enterodiol 0 74676 79755 70598 103924 1200232 189119 308635 4491883 928636 1743343.125 523875 21244 2054787.125 243406 0 0 239218 1041748 1461619 3780180.25 2299494 1252460 944494.0625 0 0 0 19772 352773 0 1493557 1992995 0 368148 0 17869 1149907 185050 1478513 9786957 0 78887 42846 921990 1808642 390061 1692686.875 832224.9375 0 0 69447 0 2140573 1369743 94419408 87659128 0 0 890087 502259 814635 828929 66381 0 2262199 2283847 2864163 3699270
enterolactone 8516136 814880 1746310 2460866 13123253 20546954 166140 20476666 9753887 1805379 3281813 2248846 10132512 8763190 4755263 3367181 8281204 4544762 5519039 3932857 865935 642592 2223918 932669 3362280 8117996 17209890 11210642 12188284 12270599 314188 921682 6068702 4984437 642471 2177891 44679 20841 113970 1572810 6458180 6094311 124908 736374 5653304 4664087 23957940 2484346 175937 0 130637 91643 447712 65166 102804992 130377432 2868046 1780953 4312920 3345441 250975.0156 53549 880140 2445140 6081910 3768811 1272397 1869522.125
epiandrosterone sulfate 0 0 0 0 0 158547 710938 548304 476508 114775 235787.0156 196460.9844 0 0 64894 39945 0 0 0 0 0 0 408598.0313 374911 0 39537 39399 133220 39038 45804 180809 252051.0156 0 0 0 94809 0 0 77544 35783 0 115516 191293 407232 829440.9375 0 0 863155 0 0 732947 578991 1883584 1360447 226399 105252 1452645 794053.0625 0 78402 334695 353837 0 0 0 171478 300145 418431.0313
epicatechin 0 0 0 0 0 0 2878685 1285854 0 0 469574 0 0 0 0 106907 0 0 0 0 0 0 138512 0 0 0 0 0 0 0 104091 160399 0 0 0 0 49965 241742 0 0 65143.0039 73133 0 143174 153622 123134 0 0 0 66169 112496 1898920 129474 191927 0 0 0 0 0 0 868377 45028 0 0 762358 156410.0156 0 0
ergosterol 1256267 124651 1421336 3585786 720116 1668580 671953 496608 378930 682122 1678224 1723304 1290942 1041901.938 2502416 1536395 1827791 339756 0 878607 641130 399246 4179386 1525904 840240 714106 351041 319293 0 0 965978 1729131 574741 0 3176385 3766175 1413941 218903 597294 349661 0 53923520 0 464790 757104 0 282146 1355069 168514 641987 1620463 752273 629613 0 2768233 776661 13861339 153491 1396583 127196.0078 1001252 8734475 902258 3169184 1153196 2680680 1407069 398547
eriodictyol 0 0 0 0 0 0 576080 0 0 0 0 0 0 0 0 0 0 0 0 0 214973 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 169782 0 400483 0 0 0 0 0 1228076 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
erucate (22:1n9) 6163848 7517891 38628260 463988160 10783541 82551456 35968328 5212927 7312382 6087133 6964085 23739004 54826388 9067529 33373530 50629628 2791296 2559492 13047197 16317057 27038150 930181 47341304 26493182 1337934 33782564 2715538 9670782 17435916 4769041 8475557 33041176 130346648 135785248 38340200 40244176 18950078 5570674 5260724 16218249 74305600 13855573 11724824 111316048 11753069 9923436 128486688 29750736 21535572 3880857 11606005 1728805 19752892 6768507 35961488 21486326 35337944 7669513 21226088 1048031 332346464 19488190 2407359 16478118 8873681 16922864 16951174 20800436
erucoylcarnitine (C22:1)* 750194 150906 927532 1683249 440487 485077 271859 0 2032488 766754 420479 607110 269873 312675 257883 220545 119396 0 633483 0 583752 153453 608442 1580900 331851 182230 450946 0 2646401 1554214 774802 848870 809223 984465 689037 1265110 197005 826120 291932 167901 448620 0 0 495898 391592 0 2611724 1818985 0 0 278846 317070 222631 130503 0 0 1102754 325185 529190 331426 1121307 406359 353749 229932 248633 0 113461 801832
erythronate* 12969991 11020085 3834725 2782540 37010180 24073248 16093074 12677463 20007234 24442392 11311914 7844171 25716736 18568012 2489586 3448436.75 6594660 4637099 6662273 16750344 5487413 19026092 4495452 4590982 6725033 5477874 17857992 12259587 10690585 7922697 10513715 19982872 10079112 22734824 3007744 8999850 28386144 41039224 5492797 5274164 12815185 37260364 13087939 34472484 49154644 27354320 10052726 4655193 19338168 192104352 27613436 89610216 29602140 18713228 28139988 3498825 74143480 45994900 14540718 20806840 5361885 44342936 2431672 8123887 19231432 27430536 52040512 37795444
erythrose 1999742 522151 283430 67122 1031017 967866 578055 0 274937 0 1441915 534193 724236 1683987 137590 189556 380678 0 756856 824658 794384 973416.0625 780539 875710 0 203407 0 373514 0 1073616 0 1892623 395976 870334 0 286518 762363 0 0 0 228572 2964583 985437 0 1200127 1159204 923153 529214 271035 12431273 0 2368240 2523820 4981235 558490 317359 1487099 0 420074 604779 924349 945438 0 289223 2495000 2061412.125 704339 447552
escitalopram 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6410848 8929098 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17319362 13117401 0 0 0 0 0 0 0 0
ethylmalonate 11965273 2804443 2468642 4667540 2976926 2901076 1431032 1983829.125 2004762 3262225 2763467 3687882.25 3436688 3763518.75 2723255 1120716 509560.9688 1472000 4545306 2310187 4595703 5586516 4411361 3140570 22768236 5407346 7191589.5 9782268 2446085 3864326 1474335 3045216 4199722 3490492 7479534 10285563 3697436.75 4266495 20383832 6021469 1057459 5895233 385188 1088126 7234712.5 7002073 3053695 3803348 2346055 3188583 1745197 1740656 1025616 4260004 5387660 1055979 4073677.25 5858026 4433342 4513316 3210716 3251700 2590715 6514422 7356609.5 4198424 72866 0
famotidine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 117569832 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
fenofibrate 0 0 0 63016092 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
ferulate 1038984.063 797963 280312 326606 1313981 1288507 1906973 1539524 903491 1005159 1578893 534929 890042 15336203 95323 41692 85936 600682 331326 190554 277619 669578 742646 592973 155552 651882 1482722 420656 360620 472217 357040 601560 586649 766012 75113 177283 890136 530767 304755 1389456 123160 1271618 977306 1187659 452374.9688 938705 784757 344686 962168 119568.9922 920682.0625 2842999 1887434.875 1575109 2315058 1949379 6299943 320218 1696124 2620311 529356 1117525 92172 80145 730961 2167733 36950 0
ferulic acid 4-sulfate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 41025 0 0 0 0 0 0 3579504.75 50207 42073 168252 28549 0 0 0 0 0 0 0 0 0 0 0 0 0 0
feruloylputrescine 0 0 0 136202 240764 203819 0 0 5361080.5 521035 542275 216872 0 0 0 0 262122 208656 245691.0156 245424 0 276724 260873 0 261375 253568.9844 216254 439770 292483 0 0 418568 1483996 0 180836 334022.0313 0 0 0 0 301455 221986 555396 375869 0 0 0 493866 0 606002 1229397 806513 615577 234756 317428 0 0 0 350446 168623.0156 0 0 0 128381.9922 0 196453 0 0
fexofenadine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 365994048 0 0 0 0 68189 0 0 0 0 0 90895 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
flavin mononucleotide (FMN) 44914 0 0 30669 41052 75884 0 24668 0 0 50343 28893 72395 89311 0 0 53446 64120.9961 48227 40880 0 0 106683 0 49467 30384 0 101925 114434 82862 27028 63823 95452 227392 135102 127064.0078 0 0 39340 0 97424 146198 0 0 220362 105883 39351 26760 0 0 0 0 0 136090 80462 80665 272356 166558 78571 51015 50508 33443 105733 71362 71899 17133 0 0
formiminoglutamate 25600702 7349269 3618753 3202963 17949656 9968387 9431648 17124712 10071657 15351956 17894156 17840132 10786205 12038277 2786971 4342429 11604317 20916940 73276736 65208448 24724392 16565192 21946326 18836956 6868141 32937034 22047934 24149292 20991740 10926729 29322518 38387568 68169856 57460672 21104972 5228382.5 26699188 17550180 11815894 9480371 64162480 26526938 58773080 60016532 6886235 11027947 49970880 26065502 6596486 13227988 30310912 36910960 15970124 28839804 10701140 3282463.25 31037068 31873342 44359236 6797147 15366141 30003280 15120930 9202654 53261972 71183968 0 14824531
fructose 1106018 532308 184077 600708 2743295 1283902 956904.9375 4121478.75 2578161 565364 559811 271460 919499.9375 987934 188603 283190 183047 315494 367490 743788 462463.0313 541842 985267 758509 49514 1010363 762678 503977.0313 713928 344781 533677 915703.9375 629043 1757107.875 0 253803 997904 922935.9375 115261 172950 273936 238861.0156 732439 1162284 2915033 1278617 493036 550025 354759 28825572 1655981 7349048.5 768184 1215239 236160 70063 2516477 1703864.875 406788 3240244 875824 1594836 0 115112 1349006 1636176 726551 382574
fucitol 0 0 0 0 0 38909 110426 0 0 0 0 0 0 0 0 0 0 0 0 129713 672127 163993 0 0 0 0 0 0 0 0 0 0 0 0 0 0 68459 0 0 0 0 0 56774 0 0 0 0 0 0 365367 76938 372011 0 0 0 0 0 114436 217921 219089 87731 43394 0 35328 0 0 215333 69359
fucose 8033854 7618650 3935467 8401681 7688823 6525009 9004594 9293617 5829332 4291357 6537370 5690609 15707792 11855607 4744326 3559307 6054268 4953077 2983118 6298790 2824605 1623973 8517471 9228803 3200749 7268966 3393468 4099248 8897355 8025580 1532068 9701234 4012793 10221125 4358826 8560783 8544811 4383837 3193306 5871748 6085076 8103119 5446053 7656998 9746284 7900286.5 4998868 9403879 2917603 10122385 11250674 25625250 13387903 26865582 5318168 5740977 5455152 9464242 6145328 7799590.5 6425088 4718640 3022883 6974218 13561952 6889501 11429185 8603242
fumarate 4125281.25 4593806 22051908 24083856 24183792 12535769 11642895 11233856 7513467 14915408 9217678 16310928 10946903 13109890 1079091 139337 1210305 1696869 5944285 869111 4145748 18089668 7591417 2136490 884419 6408568 17703536 29820498 17187422 23038104 19794208 3125408 12560791 28300140 681319 3379254 59630592 43069380 6032359 9964713 3854851 2147051 1022026 959551 8837846 6073508 3400967 4563992 702157 4720466 12895013 4436157 12260060 1871610 4110957 1540828 20067712 27764120 479395 1890854 5344590 3551920 8248526 8303575 24666880 21948464 0 0
furaneol sulfate 0 0 0 0 0 269955 0 0 0 0 164235 0 0 0 0 0 0 0 0 0 0 95009.9922 0 0 0 0 0 0 0 0 0 0 0 24943 0 0 0 0 112957 0 0 0 59862 0 90719 0 112887 0 0 0 379106 635602 402320 483925 0 0 0 0 0 196940 122021 0 0 0 0 0 0 0
gabapentin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1158877184 0 0 0 0 0 0 85618 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2141545 7575251968 0 0 0 0 0 0 0 0 0 0 0 0 0 0 987733568 641404544 0 0
galactonate 1634610 1474544 506070 471487 708064 921890 1220222 2615830 4724617 467227 378106 381715 838456 2724496 1980939 377610 341161 543561 88227 975025 369262 672071 538381 255952 183932 622340 1110179 605561 672085 404155 923338 3589421 570288 1701684 360776 809652 0 0 527410 1030930 439377 2735681 2321065 0 3380827 4541474 1200526 404342 696413 93290344 12532970 89165120 1195690 1799070 485518 416772 2144209 1026513 481912 1581846 347966 5950717 233450 214445 3151769 1796113 395895 330616
galacturonate 24220552 9792709 51430912 4773825 12643547 34904120 152812992 138515120 18079292 15460661 2241394 18000492 44475512 227327536 3728633 1725066 4963800 40345124 24937246 84658216 15461289 1490596 42521000 13775861 60583 52754300 33497752 78064928 25232144 5617999 32518348 18431972 28871812 61319592 14506013 29116852 76991904 41786988 38829088 38043224 50256492 8570701 1207896 41637532 245998672 330503328 42996836 18400068 89123288 64127900 1579362 19207204 52580012 359826272 44952712 13640947 36066744 14083623 1377339 501674720 50947500 43454656 4274279 1239855 103662992 55259120 8860378 6535963
gamma-CEHC 0 98840 255221 32364 85173 221823 66258 53284 198002 187606 270234 81393 192341 275833 63802 51328 0 199978 0 0 182719 125778 97463 33713 0 0 65318 47442 315619 99636 163604 168462 0 58587 0 145603 501215 266610 131759 0 0 0 99308 47247 612940 195517 335154 120044 0 0 429120 630822 148943 1287757 170017 0 139343 166004 290125 636220 62290 0 0 0 310054 49929 637835 819753
gamma-glutamylalanine 611997 259117 185643 294027 1337139 476190 0 685913 521873 869273 413890 405969.9688 514450 580828 261989 0 432660 10817984 511480 305856 274068 120209.0078 327816 165176 226544 813027 1278705 913060.0625 1055374 1524539 297854 309667 0 598323 78510 160733 0 294597 425385 711455.0625 200647 383574 16811668 3116355 516197 346030.0313 1239009 1570050 0 748135.0625 318279 1246458 206935 547892 1024479 300928 1269324 786452 768978 986628 0 562974 0 71953 440534.0313 224496 30225 0
gamma-glutamyl-alpha-lysine 1914954 235118 340997 441926 1226208 1096955 844704 833884 1277331 2329772 543160 726332 1182442 968663 261872 857787 525962 3886130 480643 802144 411233 470353.9688 1632050 804341 514724 1350891 1863939 1678903 422738 454479 172176 1371956 1124865 1241726 301911 416157 1251781 667943 661923 316265 433280 504402 3803753.25 2133377 301219 628947 1354126 1569632 868937.9375 1187449 1490140 1372689 432912.0313 737761 726837 163802 689622 1068499 1035371.063 667063 768547 848632 217303 285459 425912.0313 324229 578491 456331.0313
gamma-glutamyl-epsilon-lysine 2657851 295556 214275 157948 1511414 1173110 1415048 1571335 3444388 4282810 1797096 1692333 1275257 1480598 519048 374893 655583 622384 373833 857617 507458 268801 2383231 1703586 681211 351410 1750406 1004152 412303 257091.0156 822887 1742735 1596207 1486221 330504 244158 985247 315969 335160 413063 570174 540494 1050097 1566103 862564 855040 851004 790205 304358 7169195 3238309 2418647 493384 1670066 763468 242927 1168122 1359144 1551946 705634 699823 745747 215840 320263 666620 657848 1020426 853602
gamma-glutamylglutamate 448873 44370.9961 190702 358333 566593 1210097 1589103 1169657 605810 1018216 609508 632951 1196928 1314429 281884 144481 831481 1782913 959016 915406 814105 684263 810159 421262 766864 1196049 1452890 1575695 1352883 780965 933957 1874584 748660 1673946 356878 579352 3210724 2660744 2079920 822973 382158 470609.0313 4374826 3553853 1061576 954505 3294957 1117925 996487 746100 2411576 1721913 1718886 3815377 317597 124546 2096636 3086948.25 1199895 443375.9688 1737229 1956459 204746.0156 402888 687913 939144 0 0
gamma-glutamylglutamine 504709 0 0 230468 0 0 99824 0 446884 520358.9688 0 149817 125680 150972 0 0 179831.0156 0 0 0 0 0 0 0 0 590086 413428 420258 0 191336 0 0 0 0 0 0 234720 252370 558079 90595 0 242048.9844 1060190 548610 0 73154 0 1193488 0 3189109.25 0 827426 51707.9961 150131 208596 0 336035.0313 0 175208.9844 0 0 0 0 0 0 0 0 0
gamma-glutamylglycine 533517 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 472009.0313 0 0 0 228236 0 870702 168759 0 0 0 0 0 812082 619479 0 488887.9688 809192 393462 2766298 807511 0 955103 0 6094336 0 4673284 0 1738491 0 0 0 1082267 0 0 0 0 0 0 0 0 0 0
gamma-glutamylhistidine 165567 74992 0 158341 0 122444 216706.0156 84149 301535 288435 0 0 165072 84479 0 0 0 0 0 0 0 0 356451 0 0 0 148673 333773 413437 90332 0 272223 0 121266 0 0 0 0 112982 106490 0 88082 1231816 1410110 0 0 568819 209647 0 1405029 267264 562325 0 189605.0156 0 0 0 217572 154825 0 129493.0078 457506 0 0 141297 175788 0 0
gamma-glutamylisoleucine* 339385 0 0 204617 431358 188465 205935 260072.0156 131548 416418.9688 53415 0 115017.0078 161177 0 0 158258 0 123339 197636 124523.9922 0 0 0 177250 723537 373715 381807 180240 114603 0 118368 73434 126709 153056 233621 107384.9922 115136 314974 0 132778 247574 604693 259809.9844 0 60769 412803 1037726 161973 10930991 97848 1767407.125 0 202261 105665.9922 0 148590 192108.9844 113569 0 113402 415734 0 102131 82625 186809 0 0
gamma-glutamylleucine 16422943 2336004 8087793 7933581 12032003 9323319 8877340 13966224 15463894 21121364 11086884 17166040 10291613 12334347 6004721 4946502 6464155 5921568 13379151 15409239 9637104 9180057 13297866 13276113 1828164 14251485 11228952 10158011 3721094.25 2855364 6901213 11912704 10689709 9750334 4916474 5869246.5 21293380 27305112 16178040 9269567 5667594 6664603 16005626 35993748 8275787 10653792 30558792 24212004 22383768 1946013.125 33917904 11528536 22889888 20121612 12829691 3582616 16196467 21954506 16695211 4743116 14382439 24330950 3303467 5180730 6585758 18036420 0 0
gamma-glutamylmethionine 839950 0 63716.0039 275944 493492 272110 3228311 376762 1089117 1672492 0 163579 345560 300198 0 0 167333 0 206258 481619.9688 0 0 228400 0 0 818669 677499 969557 91446 211419 123865.9922 356414 206352 208704 212751 516531 204361 193494 1045366.063 679514 107643 241763.0156 570278 431096 133486 0 617172 1257977 0 258625.9844 380720 1178894 0 152447 0 0 241874 235105 165117 116186 71366 467985 287951 116116 0 93267 0 0
gamma-glutamylphenylalanine 297917 19132 37340 51883 198308 67676 61398 107715 58743.9961 268364 59570 46198 73612 101287.9922 0 0 67248 121347.0078 59493.0039 66002 0 0 87584 0 24127 218003.0156 161644 122574 0 0 0 116216 51387 64851 53345 84333 47770 31081.998 163848 0 44541 156258 338557 383452 27931.998 26513.002 222024 475565.0313 0 309169 34297 553849 0 166061 101197 0 77319 97182 85345 15024.001 64178 150485 0 29015.002 0 0 0 0
gamma-glutamyltyrosine 706662 0 150572 233122 518787 400714 263735 518089 382251 938380 215448.9844 158524 376448 267105 145676 51609 413779 56804 256584 147523 0 0 0 0 264535 678065 548596 446044 0 186204 139673 403636 135782 363643 272190 239243 203694 144615 443069 65543 334636 528796 1211643 235199 194432 266792 647021 1463385 107361 978255 0 969976 57773 385714 535294 102272.9922 275550 421656 214946 201826.0156 156599 511114 254372 171463 0 147185 0 0
gamma-tocopherol/beta-tocopherol 302315616 80025640 394794912 324485696 153868400 97074280 51292232 45359248 89770400 174830672 133392688 248518992 100765088 36706356 271240992 257757584 176060976 85465912 463949376 374972096 115683936 55642132 232539136 170205776 48479992 266006304 235477280 199501568 446283904 408906848 220634992 357371008 554086528 326109088 296005312 331794272 50142440 88477376 103618304 144830736 184837072 113666152 32300380 113877368 138630208 187775744 66677664 148967296 97668752 38738264 84587352 62145176 104135464 137555568 225847296 345928448 191861216 242289488 102603024 77963472 44171832 34278540 180118640 221569632 128889560 8952644 39103704 56465912
gamma-tocotrienol 8579195 1999785 13820403 17548506 22842216 11556094 22266874 5056355 16877972 22293228 6428860 21478156 27609906 14583838 9434970 17945272 16433005 5478879 23564024 8026585 22271668 33291080 15610434 5580202 16727243 25954236 8779224 6305919 11328408 15460196 13555032 10778665 32558636 10155271 22822896 16681902 8007041 3748990 6688012 10761652 3988249 4322405 3357364 12908591 1900174.875 5307980.5 5546512 6609809 28038748 3301923.25 4048160 4012132 8070780 6818008 3540443 7287616 30208184 6043454 19866984 9682695 5463093 8703566 10117477 17203020 2771013 11163391 8962786 7664232
genistein 127313 200574 0 0 68290 0 2302398 10871691 543977 207027 0 0 95409 71150 0 0 0 118168 0 0 2048172 3148491 0 0 0 0 0 0 28106 0 0 0 0 303961 0 0 5475525 918861 280053 4437689 0 0 3837411 958154 0 207100 58578 3720217 0 35420 7741224 18661206 0 0 0 75926 203259.0156 126113 0 40219.9961 1066344 2194297 0 0 0 0 299452 52923
gentisate 2888131 2681614 0 0 2093370.875 4300831 4277869 4351675 7755408 7541079 2528612 463919.0313 5664800 1585813 569424 0 1020349 2026513 834033 3263211.75 1044284 1123618 0 0 297285 751858.0625 5107903 313424.0313 1489411 707730 1101990 1443893 0 1046234 475727 572708 2457594 1444464.875 1656487 807574 810430 888276 2997765 3525715 17825780 4843707 5595203.5 814580 0 0 3141790.25 11526922 4574597 4417038 2430495 1643424 3020682.75 967400 1948498 13473465 2089170.125 2418575 184937 366184 6099150 4578056 2178329 1158709
gentisic acid-5-glucoside 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 92641 0 91148.9922 0 0 0 0 60413 0 0 140904 0 0 0 0 0 0 0 0
gluconate 9619228 1064216 1200405 483364 1632114 4176185.75 6532543 3784159 14772320 1514356 5572050 1017565 1615790 15951762 4516296 1415048 1070497 3017727 352759 5473823 2168829 685532 7761679 1744717 282668 707067 4142800 12484880 8484722 6139819 7712498 7519074 2626005 5882030 776638 932752 24134308 28385096 1690392 1092504 549839 1313678 6816630 2678145 11457162 9644403 7804665.5 1199740 846385 314788160 2958010 27197732 2100759 9674545 530995 259072 4260239 7050842 953132 9861297 4863188 5771488 318990 507601.0313 17941220 3138188 688979 622709
glucose 36271908 26032186 14838827 7154974 43378484 207409664 76775160 124961360 147324896 98756384 250384416 9900496 91717472 200419680 87055224 68993032 4084591 72573720 7250632 47348804 96824064 56473836 141931200 178796160 1337888 15949857 122771912 56413504 59021844 21491354 77575216 114508800 15265208 35142496 8411317 28594284 128248040 162099296 4318009 8830557 9019480 10865317 244595232 79237616 155445456 106037520 162883568 66033276 2212779 467892096 125820288 146381840 207104512 149378048 8248905 4558476 121035224 100067064 27375496 370643392 269246592 164525520 2287021 2833173 209778656 106570384 27041404 12020253
glucuronate 4634230 3611737.25 7893284 7739604 7774862.5 4578680 16881136 8215896 1056565 1743481 7145329 8480663 6990519 8508058 916377 2239154 2160434 7006743 2014871 5025590 4361015 17543682 1784624 2322343 991471.0625 2837125 13726716 11187275 4439152 2149702 5839809 6868083 7465050.5 24135700 1500387 3136404 7488746.5 8530970 5307422 1809989 3340543 7463927 26484168 7754003 5809729 0 5158601 5405359 1738960 343895328 11788790 21279100 5862915 44055736 2863225 1985629.125 11882357 16106384 10941906 42560384 6485961 12019174 1126870 986444.9375 18250720 21795356 1363438 716232
glutamate 1934651904 388828224 685861824 781654464 2235036416 2137619200 1293334912 1247958784 1928674816 2403931136 997972736 1042970816 1591486080 1706309760 209289632 312933376 852755392 793537216 894098304 1274506368 1417095552 1011177664 1091027072 809771136 447524288 1678963200 2563845376 2200765952 1786058752 1670059776 1127610112 1658482304 1898282368 3291003904 1040771520 1267405696 1556455936 1780801280 1356539904 1277853952 1074097920 836406976 1115850624 1825553664 1506139904 1648765824 2571059712 2190893824 656384256 2545948672 1783313280 1024689728 1760506624 1745867648 662034688 286929632 2465484544 3008605696 1445571456 678134656 989961920 1566443776 627532800 855664384 1725414656 1605310080 370948000 247479600
glutamate, gamma-methyl ester 2420141 688599 603851 1372597 4464963 7356722 2668915 1163787 991391 2952099 1619801 1686072 4092360 2618966 0 430103 503896 1077255 911409 2365647 1365596 620178 920745 940726 0 2014149.125 3766306 3979750.75 2445633 2251221 1122804 1876704 2711835 5179741 1032627.063 1064069 1080056 692423 1126836 1859702 1138166 1884549 1073711 1602010 7162405 9307010 2411706 995187.9375 557616 0 1223469 2466489 1533778 1139018 828329 0 7962698 8476498 2211784 1539981 2283227 2677010 1143697 1610552 3895901.75 3403467 1826632 907883
glutamine 354547264 69234384 175280112 136571936 189145536 190490880 174372464 234336720 345645120 410791968 178284656 203694688 234356192 199261264 92661232 91862960 132679408 180246256 227009088 250061536 204968512 193178432 155627872 211795232 49128120 303006528 208654880 169831168 145196576 110847624 121937864 209758128 188905728 173194128 107574944 85784168 481676096 421639168 327242208 223447952 100725248 122294952 671350976 994196416 143112352 174187904 686615232 411091168 262350912 969539968 528480576 260560352 414307616 548700416 206979920 76838512 208375584 255886400 254658864 109859072 265322864 485925920 44327852 99693520 112639968 350419904 205540992 158033776
glutaminylleucine 12241968 3882787 2454417 1913394.125 13253747 12136893 13082151 22702308 20449416 20615210 26800370 23966692 17027810 18925476 10720298 9231236 7999439 29747820 6273084 8798304 5006897 2331586 24766916 14840235 3402454.25 2546897 9644761 8131757.5 3231462 1373033 15640532 18808556 14472544 14937223 2855672 3141890 6431785.5 4296464 3586228 3076131.25 6683444 6741389.5 34634424 20018002 16856080 21422116 2906127 7408926 13431275 301891 30630428 22126820 3466788 16812632 13063289 5278291 12636629 15540265 18628216 10860097 9417294 3059480 3099849 2991653 9340207 4771773 10412663 4324550
glutamyl-meso-diaminopimelate 262106 0 0 0 0 0 0 70696 135464 176459 0 0 0 0 0 0 0 0 0 0 0 0 0 0 397970 318103 206564 224540 184769 94254 0 185873 131092 330613 0 0 0 0 0 105305 0 0 0 221348 0 217246 0 0 60857.9961 0 83047 0 66744 0 0 0 586261 717519 103997 0 0 156404 0 0 0 0 0 0
glutarate (C5-DC) 64018384 21716280 10404017 5430990 33361094 29156820 7006164 18100204 43316916 63559700 18354154 19874368 49599912 45443152 5134024 20536116 4199654 7329127.5 62726728 55033276 23020992 28246764 19887420 15211051 3741562.75 375761984 69804176 37568984 28991692 47238076 22814630 21527000 41568780 33352568 254015.9844 14615761 2871194 2501118 23780012 33904428 75677640 104362448 5441879 25989312 76896464 74986160 65418308 36839328 12829493 0 35680084 8240991.5 20003302 12616045 74317328 4732826 31579166 32850032 51717136 40844068 20713076 3158963 737267 2083191 6292827 19491908 355197 262621
glycerate 21917528 16880552 4822364 4634743 9851921 18935774 25992208 13936270 19558220 35120012 8432122 2557309 11039827 12853310 1730184.875 2052624 3191479 13352364 2124271 6866114 15874060 20761912 7186367 5437046 3096459 6315564 5883453 4355358 9741872 3866509 6683651 12843325 9977421 19163544 1123699 3598006 18200950 22691980 8584505 5819865.5 5024947 5690988 6057021 22482092 15205640 10927167 23808276 14181817 15758474 73189352 23937892 11334279 13270481 17024690 4171081 1859085 17264784 24021436 2499700 6906576 14597347 13725480 2494545 2147277 5571115 27196412 20938688 23025032
glycerol 15579368 37503440 880600 841736 13281400 9400815 7058132.5 11160965 4549775 11033514 1845498.125 3399581 27681334 3563711.25 4305482 7482989 1233510 27876972 1844214.125 18615184 2722290 1873734 2277278 721333 0 34058796 7325184 1866699.875 0 0 15160554 10389655 3912527 4702029 0 457739.0313 11541426 5181093 696075 6034450 3329600 549837 95104632 72988992 30614708 18166192 7278231.5 5358891 2182292 0 1798840 3222415 10651403 38266612 12136064 1799466.125 5946279 4439802 18077748 21783388 2597640 14427951 0 1584185 1257780 7176596 1903409.125 1603128
glycerol 3-phosphate 644060 811177 100876.0078 340816 496172 598271 2394834 1224283 409880 704533 2975188.75 1847328 6091623 4429147 535764 680422 913989.0625 16211696 1388834 1722378 391505.9688 121286.0078 1187058 705196 433512 1099464 1283100 1087352 325839 250343 968216 628976 2503646 3265708 1340370 2033626.875 1672939 1028470.063 605685 841038 2604854 1417983 5660968 1290352 9436887 6673909 401542 924930.9375 563108 530278 611223 1344836 927423 1800316.125 2166499 2007868 3775003.75 4455194 5680672 4491493 1201219 860822 2100134 1083004 1003071 1801814 395235 377078
glycerophosphoethanolamine 6843977 7047740 2165740 3579021 1869723 5333087 12904495 4062057.25 4561909 7695612 2663982 3045451 5702615 8295524 1416238 987641.9375 1690631 6077072 1572659 8120073 1989521 1532091 2363987 1516465 588846 9309716 2075150.125 2170437 4008063 2182439 14836849 37617100 3733717.75 3924112 2492646 2118658 9592081 9060455 10142541 10789045 1293579 1338839 17221710 5069473 1900952.875 1839401.125 6318646 7242671 3315996 1652396 6738947 17653748 2411377 3739596.75 2242949 2993283 8452314 11732560 6097774 10107436 14582763 12128683 2744630 2509552 17038600 18725896 6572823 3528305
glycerophosphoglycerol 12306853 5367480 2003022.125 3967653 13189861 6258107 15224954 10310724 9861196 22773224 19385108 2823404 11419033 18586212 9093311 5913952 6104921.5 5670163.5 5187801 5231120 1291228 1196494 4671998 9561006 2847969 6745227 5805949 3473367 5923523.5 3825763 6222714 8024119 11005175 16835368 2825352 10036855 21902032 30802078 7291499 3779242 5065910 5456383 11108726 6881691 9369909 11548579 6832436 9727795 8835663 4397877 17257440 12290648 11072494 15122019 12737565 25216476 12867019 24078200 10743626 10100246 9721289 19246520 19099284 16168364 2766258 9015839 13961021 7168862
glycerophosphoinositol* 312366 245540 0 0 448354.0313 534547 1657896 1350251 868199 406996.9688 302901 179260 348079 243639.9844 116019 0 0 6506436 74538 208331 928900 525161 222167 159271 36718 486242.9688 153927 42286 137519 156459 147306 221597 111310 418484.0313 0 140485 2070722 798118 138694 373440 0 0 764051 742733 696731 455412.9688 311504 434001 113190.0078 928405.9375 1176905 1828275 600580 2144971 38111 64590.0039 910333.0625 1031438.938 444335 620418 329439 914234 0 0 286584 1227458 0 0
glycerophosphorylcholine (GPC) 4780251 6602710 744702 135753 878930 4468299 20874004 2944880 2432471 2368213 1263272 338247 2385208 3262020.75 256228 0 254742 11285764 198329.9844 1665182 1468730 0 4054219 1205627 658729 1380342 473033.0313 1586990 1354130 0 13458459 12501359 2166146 2923801 0 138677 20027946 4364902 1167562 11103981 734705 694905.0625 14672640 6771020.5 2976625 1096523 10851026 6026623 0 15294468 2022503.875 8872829 5335765 4423264 0 109462 600171 776548 4241962 10270149 3161418 23267638 558662 422508.0313 5934739 6478964.5 1017445 1141828
glycerophosphoserine* 642544 368844 0 197367 121067 873928 868199 275403 1577225.875 1878218 0 0 494693 952832 0 0 0 752813 0 186853 0 0 0 0 0 602183 167244 101878.9922 165122 64494 614974 497685.0313 173970 370493 0 49779 907810 369217 201440 78712 0 172743 1642616.125 976275 474998 550770 311181 392055 164578 3933521 1423863 3777583.25 474333 869171.9375 192328 49600 357443 914559 231740 790698 345222 771395 0 39859 769894 1006292 0 0
glycine 75876504 13757062 39827144 32232062 43952168 35380708 32947544 40849252 65893608 83365688 32857368 41629680 36882144 38186736 11260067 15940861 32212952 22526300 58826568 52995392 48425160 59975752 36978320 38327136 13709554 90612400 48099200 39023312 31773896 25034242 25812358 47972308 43228856 43853296 27285016 22150156 89448072 104690368 74588144 46399288 21212322 40137256 111267696 157393552 18011856 24381390 168569392 107006224 59172976 444133184 113457952 88629928 98447656 284324416 41511824 13553184 52174104 63599736 47937344 18630580 48259964 102935048 13547772 24577588 31212824 77605184 57440896 49293296
glycitein 0 0 0 0 0 0 0 0 670471 365659.0313 0 0 0 0 0 0 0 0 0 0 220572 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 51971 0 0 0 0 0 327684 0 0 0 0 0 0 0 173783 1207317 0 0 0 0 0 0 0 0 0 0 0 0 0 0 349107 0
glycochenodeoxycholate 1430863 2355346 384207 471231.0313 1738747.875 233886 1995376 1237800 3445326.25 1392329 627321 219249 498511 1137865 183829 113702 62223.9961 241566.9844 747759 610068 1581911 791076 1197992 0 1189949 265877 607683 0 536885 465109 137598 347196 865990.0625 10127744 151252 457313 1158469 6978417.5 362364 108389 573393 462469.0313 1090679 1450280 855002.9375 681847 1389145 13226777 33647 1136567680 3804043.75 4074414 14846441 25253074 117951 0 2384664 219373 677918 737463 2452890 2584501 34601 80843 106913 2226145 21977200 3994992.25
glycocholate 586972 1531185 112336 211155 881361 111977 998914 999605 2052904 841733 405886 48387 144781 2733238 0 0 21248 967616.0625 269511 169397 343651 264929 394515 81918 969139.9375 177324 214054 122919 132510 118784.0078 0 77319 291009 9980824 0 137433 397339 2156004 188816 76714 281120 136408 493131 530921 1752965 1205688 817136 6266840 0 1756778112 1566181 2016199.125 14101678 23554452 114031 0 3084949 96642 150528 202114 2728275 3590298 0 0 90060 613586 364833 217459
glycocholenate sulfate* 35759 47487 85450 0 221973 0 4064611 411300 529543 60851 0 0 0 0 0 0 0 0 0 0 915807 207188.9844 0 0 64622.0039 0 0 0 0 0 374411 236454 0 381106 0 0 16835656 1304651 0 0 0 0 2200528 108129 233413.0156 229417 228365 131664 0 200156960 27992676 19938130 2323660 4163773 0 0 415384 72584 43649 565393 159336 101064.0078 0 0 0 155545 0 0
glycodeoxycholate 1605739 3664158 1182791 1168796 2960931.25 1114989 3322178 1837726 5935132 3659417 305600.0313 141851 858231 1473849 345416 173871 182304 1097677 1356682 1004620 1324941 742210 1885249 378975 5358422 1413477 670783 254302.0156 492794 503537.0313 318072 504514 816878 6662459 254549 1250550 256784 4387642 1012894 352444 1149607 2201942 0 0 4373413 2629330 2510576 34189796 182594 643167616 0 0 17809538 24430410 494185 130513.9922 2117636 241398 389700 1930078 1032472 970606 94481 240012.0156 259273 2827512 8031844 1897230
glycolithocholate sulfate* 50414 61389.0039 58658 41003 469120 199909 4136404 161826 476402 849241 0 0 128960 79795 0 0 0 60844 0 0 326751 60176 234936 0 311925 0 93785 0 0 0 337066 347472.0313 31560 508021.9688 0 138170 636763 742776 89101 97724 65329 49639.0039 87628 0 2679584.75 874339 1761800 1016141 0 99189912 1855131 1474160 717914 1144608 0 0 384709 69565 71407 2519059 145351 58592 0 0 79296 479498 165268 132132
glycosyl ceramide (d18:1/20:0, d16:1/22:0)* 533525 357047.0313 197313 65365 956910 3375486 501062 556510 260537 0 876644.9375 533328 0 435868.9688 668042 452318 0 0 323573 2465120 1173916 1191971 5178857 2440165 0 0 295964 345572 1158297 274734 0 852463 586025 317959 0 0 636494 0 0 0 0 0 0 1728248 318092 0 914921 632277 0 316791 275005 0 2133564 964540 0 0 0 993848 334042 0 597940 281761 110966 0 3028565 6833997 0 0
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 1885321 1515808 1531788 565215 2966182 19262680 2662129 2800387 2230904 1813352 7609648 1893409 1083851 5277362 2094508.875 1393049 338942 0 1377613 5965703 8091356 6316110 12717945 13238112 0 908807 1413702 1551920 4407927 1407639 689982 4006237 1511511 1033756 272219 248107.0156 3238485 1414919 591246 0 570508 213838 4224439 5468145 1612651 331361 3667190 4745371 567122 4791351 2996510 2188970 12822514 6119907 720370 1229588 0 2434953 1163539 566214 3183429 2413816 1458893 1036939.938 14599563 20422976 1217515 911641
glycosyl-N-stearoyl-sphingosine (d18:1/18:0) 2533532 1141802 490870 512642 1347917 3541342 1371471 1589952 577424 369938 1885097 2952626 0 650423 1100552 1108773 0 0 778382 3351430 1923994 1085985 22814456 3890374 0 148633.9844 592898 949680 4730010.5 1119033 505950 2674626 1974400 1695460 160468 298046 1928712 149304 0 0 314467 0 263398 9319341 1749109.875 0 3482754 949206 187802 715109 987881 188164 3578668.75 2149819 0 0 566139 2143971 1165516.875 0 1772730 469660 1109132 160261 4056021.75 5828250 392809 0
glycoursodeoxycholate 583923 122410 54866 0 165850 38038 590899 95979 84002 0 0 30169.998 0 128394 18383 23127 0 68997 12490 0 0 43857 226092 72413 54569 78183 87040 76893 70673 0 0 196461 0 420237.0313 0 0 63724 283649 203350 75337 0 0 1294395 343372 121350 39311 213182 3609604 0 120416960 1285822 670330 4887651 6303865 0 0 501970 74253 16487 165386 1685963 981671 0 0 0 45183 120585 0
glycylisoleucine 7919984 1782993 10371837 8183097 12867722 13862386 14497478 23414144 22335200 22519042 23786098 30452550 16065309 10611490 12241242 7769505.5 3253748 6707217 10135343 17283308 5768823 3995521 29181242 24765576 0 7978580.5 7760286.5 11129392 3857292.75 1557345 17355868 27183154 22355140 15744105 1985790 2905922 18230278 22994274 10747704 9215497 4158402.75 6612994 16187658 42678492 9008721 15989891 13516170 29555848 26442164 496178 28943372 8846761 23471752 28704238 13022473 5587637 23869494 28631882 24798192 3842562.75 16148241 19641944 2276977 2878537 6854972 15180057 14484031 7556453
glycylleucine 9240493 4192790 4346777 4343301 6061571 10310688 12492457 11555854 9992271 21142960 21349322 20402792 15882891 21059668 13990695 9244208 4999418 13499841 13962700 16010573 13287511 7173962 18943776 23348854 4746834 4607402 5359325 6031916 4749987 1666404 15437870 29984658 15250314 13002028 2350634 1839922.875 25266158 13763312 6860654 7888329 5180973 3912763 34607068 39709012 7041898.5 9195664 11618188 8946011 18891736 752485.9375 32734310 26358704 6581747 41245776 10205160 5570218 4508728 6891217.5 17743908 9450811 18327016 6102866 2080846.875 2513014 11543778 15760051 4048311 2836844
glycylvaline 27216544 4338837 16937704 14033183 23750460 21957866 25663512 32805720 54124084 67121752 36579604 39230916 27032792 29444978 17039992 12548062 10526686 21969900 23108584 26881672 19999440 17098808 43234768 31537980 4826151 33379906 28685024 20646244 8394679 3892905 21024704 39529520 29729130 23213624 4623002 5874769 41459248 41338440 30373224 18514778 11172342 12779438 34060180 78963088 14061154 22374760 70754464 51819672 34055408 2383527 81173384 36321228 39726672 53025344 27085782 9210124 35092312 42333824 36432212 13147221 29102958 39006112 4374396 6150082 18216484 32646046 19539992 12690872
glycyrrhetinate 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1069546 0 0 0 0 0 0 0 5096134 0 0 0 0 0 0 0 0 0 0 0 0 0 27187226 0 0 0 0 0 5008425 0 4858130 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 91600200 138559344
guanidinoacetate 880493 94145 0 0 0 300074 772027 53184 0 0 2191151 0 239929 121729 0 0 104501 0 0 0 991632.0625 5112053 0 0 0 0 89699 0 462092.0313 0 296396 147941 1186422 0 0 0 2143485 600782 10326275 902564 0 17216570 28445518 2384595 1491840 2522123 1019255.938 189573 580519 25148034 1645684 12375182 1280151 9952479 0 434780 0 187782 7150042 4063711.75 193546 618131 116916.9922 78485 606570 887993 456960 2680762
guanine 38626872 16142524 5658289 21863060 58873428 41809604 20995900 42844084 107946360 84581248 42365576 14113507 32713622 40574652 9919038 6445349 12413368 20202026 10780390 21747464 27206436 45610608 12174720 16767896 3138013 17922264 71775264 51720312 35014208 23831146 6335390 6732964 30481456 63940936 3354129 12623214 74475184 160541680 31728044 10752726 31321570 18559488 28394856 109698120 47836336 26160984 51690908 27566460 35369472 1242311 137700928 33087072 62311912 41658296 33603256 11545922 10983335 11923116 29515712 30323844 9439079 32739832 8479820 6396529 5437340 83423200 24607700 14135641
guanosine 24032996 10042282 1767206 1946273.125 9891600 3816601 2793499 11367134 59569540 27215676 11337752 5333058 4546237 8515636 2914836 1033161.938 5478946 10317190 1783392.875 1723695.125 5289959 0 4327574 5853210 0 17231052 6494162.5 2725217 0 1514826 1152325 1458324 8845357 9573745 200331 879169.9375 30446904 59122668 7307267.5 3714455.75 7432194 2508370 2761885 41779856 17572948 8070636 25322948 5512976 0 1997668 115712152 50445188 53337472 16709523 8515162 2643912 5340916 9159073 7969059 17352404 3274880 9851525 662106 0 3192290 20647872 11074522 15097268
guanosine-2',3'-cyclic monophosphate 227840 0 0 0 127725.0078 72071 0 0 0 0 0 0 83085 0 0 0 50058 48749.9961 0 0 0 0 0 102716 0 0 0 0 0 0 0 0 0 44766 0 0 0 0 0 0 982722 313818 0 58866.9961 0 0 54100 0 0 0 0 62146.9961 0 213487 70661 0 115744 0 185133 105215 0 0 0 0 104852 74561 0 0
harmane 0 0 0 0 0 0 0 0 0 204487 0 176360 0 0 195069.0156 0 0 0 0 0 0 163599 0 0 0 254427 411431.9688 474328 211841 0 100808 329431 0 390011 0 0 0 0 0 496603 0 317557 0 0 0 0 1038733 119329 0 0 0 0 0 0 188197.9844 0 1422948 0 0 0 0 0 84576 396442 1835207 444111.0313 0 702569.9375
heme 0 0 264021 235942.9844 0 1116511 524656 0 905388.0625 0 136498 98640 48439 148145 130764.9922 0 83481 0 0 0 146843 65651 108072 123895.0078 89706 127960 0 0 578343 527859 1675747 590630 161975 0 194076 180156 0 0 0 139737 0 157307 55324 43434 0 89917 0 639587 0 0 342504 283783 0 195182 0 51087 161414 0 0 84521 163506 0 0 0 0 0 0 0
heptadecasphingosine (d17:1) 1159259 1447241 12687994 6244659 746176 2268100 778635 805051 8932446 6673117 3750296 2636416 2487748 4771631 4034804 3076372 0 0 8308495 7325568 6715312 10149807 3675644 10844403 0 173422 9539705 27051882 1416582 1314151 2178455 3698839 0 1007830 0 0 1531430 5325817 610717 0 0 0 1665910 2407253 1181154 1468065 1055007 1987615 4854083 1253804 2788539 1751562 4991182 0 8198177 8408626 10991535 24948288 2158307 908918 1128752 2106628 0 0 884976 4071365 959670 629171
heptanoate (7:0) 3533644 2737806.75 14416364 7946121 3553111 627679 0 0 6069644 36932644 0 0 433641 32728088 266023 1739952 1180407 10453947 19445792 0 0 0 537405 0 1300594 15611040 1039118 1097793 18853084 12218372 0 0 0 450024.9688 0 977379.9375 0 586534 14843422 15827358 2365071 3539584 0 0 859321 798298.0625 1029094.063 622359 0 0 502869 0 1130548 0 61283104 17119016 503384.0313 0 0 315962 0 0 924822 16421485 0 450060 848047 27626240
hesperetin 78263 0 183451 0 0 0 0 0 0 90260 0 0 0 0 0 0 0 263846 0 1107429 620118 27098 0 0 0 10797357 0 41559824 146430 0 0 701744 0 254743 0 65070 0 0 70818 3909137.75 0 0 286130 0 5231444 396408 0 167572 0 115237 3444723 57822 0 0 0 0 0 0 0 0 152517 0 0 0 0 0 1025347 268669
hesperidin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13598.001 0 95535.9922 0 0 0 0 0 1596681 0 2771546 0 0 0 48900 0 0 0 0 0 0 0 57988 0 0 0 0 439069 0 0 0 0 7690919 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
hexadecadienoate (16:2n6) 4054869 9937140 6509651 4400629 7577265 5408771 2467128 2662573 5552138 4235570 1319990 5245938 3421302.25 1743400 14082018 5383454.5 884730.9375 1436784.875 1036049.938 10306943 9545353 7932971 7172402 9622061 216146 2737089 1207807 1911295 917381 823282 6708765 9669090 1992823 7971226 269073 455815 3659049 10032618 11911935 1407797 3170718.75 4659011 2182056 16129419 5709996.5 11111528 7365780.5 6984040.5 7946447 1879032 3324973 3199844 10655823 27525980 56096248 7676332.5 13922274 8184578 3738580.75 3006610 9571986 18422562 226215 577662 3374608.75 9258628 2871897 23050482
hexadecanedioate (C16-DC) 220609 335451 378548 422585 393498 410312.0313 360107 489120.9688 821640 408195 821524 642540 996137.0625 537869 635540 566902 608246 380822 466586 909966 422903.9688 311341 659488 611476 637091 553435 1059824 776381 794467.0625 474693.0313 446398.0313 551722 439552 310554 160810 346402 297974 322497 141029 207741 944499 726596 157672 206634 185020 136126 394033.9688 361634 133957 52039 116600 61626.0039 645890 420382 693808 585249 639398 427437.9688 720970 353966 591426 1522180 171362 448235 377105 362711 0 46242
hexadecasphinganine (d16:0)* 1250520 1063989 4550162 3855667 740903 3834680.75 3838703 2624460 6923377 4672069 7620796 1905146 1351562 3361781 1899160.125 2347440 1117671 448296 6027408 7457166 3232467 4975020 5033861 9437762 262515 1250393 5075662 7926217.5 2637773 1894650 1373599 4102011 698984 1291123 673471 415922 3393121 3823796.25 811668 444729 886039 970061.9375 2169443 3295802 1194452 1359630 6170664 3002860 1075250 68046 2547084 1203939 8071218.5 4919449 2540582 1907012.875 2515404 3042137 1330953 577377 4219151 3419161 285122 681476 1703148 4239357 818306 715956
hexadecasphingosine (d16:1)* 549968 683745 222062 0 423435 1217846 339215 299191 4783027 1307961 2342940 180043 780274 2413638 132027 99918 0 0 2226058 3131339 4723916 13284547 870319 4900832 0 0 1995309 4982331 406533 349880 582738 843249 0 393972 0 0 1229090 5613531 0 0 83184.9922 62061 977687 1870822 153796 0 342458 184843 0 956218 2065978 1322644 3046857 317709 928725 978050 820746 1089324 586029 195586 573298 917151 0 0 344123 2352127 330962 431780
hexadecatrienoate (16:3n3) 826861 1115221 1638805 1243901 430364 838481 282469 308321 1145955 1364698 94478 679762 75639 550819 1399064 2984757 65850 877021 50626 880626 2665564 1855580 1022120.063 6592013 26019 104580 215997 273640 139412 50860 652475 1264955 193380 4686621 0 0 604949 590558 911217 324607 0 479415 0 3471647 2696203 538208 2288969 921594 7909275.5 0 242463 796562 2829497 429556 19141502 833718 5962377 10421142 178455 1647052 1035497 1077457 47391 44299 1000709.063 325966 434916 2168564
hexanoylglycine 0 104302 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 41911 0 327416 0 0 0 0 0 0 0 18987 0 0 0 0 0 0 0 0 47510 0 0 0 0 0 0 0 0 75095
hippurate 2227322 0 146703 0 43347 26811 0 0 0 0 0 0 0 0 64949 0 0 0 0 0 0 31483876 0 0 0 0 0 0 0 0 65122 0 377205 0 0 0 0 0 10327250 2002390 0 147648400 1556185 0 0 0 0 151819 191171 1393145 70685 163373 0 47642 0 4998511 66152 0 12966353 0 0 18229 196853 236087 0 0 0 117594.9922
histamine 0 0 369401 319631 449750 638925 679948 2237814 0 0 434196 2238828 225055 1383573 1386434 666447 0 0 1475122 1545489 1189847 134168 765116 0 0 0 1790768 328837 4528650.5 582365 838331 713839 0 2360037 0 0 892434 0 1750315 3173142 0 0 313949 1555338 316828 0 4631504 4503297.5 672422 0 0 231617 808379 251080 0 0 1882774 1536849 374355 314051 933054 1862726 0 0 3497345 2101497 0 0
histidine 19905126 5542180 15504388 13931072 12098294 12475801 14673217 18368376 24142260 31187998 16198464 14917783 17362300 15228546 6832021 7212428 8379667.5 14213408 12533881 10834128 11393813 10516093 13153432 17516434 1512409 25000026 14296243 11318040 10333145 8121659 9869827 13826559 10978610 14418460 4470134 4094889 33230442 43272360 15023314 13440944 4036147.75 6858648 115334888 50802476 7312656 10226906 42997840 16187808 19822808 82206440 30124704 22785740 29668076 39287672 14182941 4920896 15178533 16757964 14454930 7376230 19627536 28413420 3385784 8364364 7333238 23029324 24158688 22274026
histidylalanine 0 0 0 0 310078 393994 405691 370301 300878 197008 1315536 773254 377791 365787 210836 174715 200914 1239418 252258 1136569 264565 0 2243866 476822.9688 0 175912 63702 130426 64018 0 1120721 1655274 2518748 2643501 0 0 314460 669935 0 0 0 0 1836196.125 1244021 271752 314777 0 174765 915699 0 2043872 406220 161783 680231 0 54689 278822 460412 489657 381342.9688 334708 129683 0 0 380433 0 602756 1583534.125
homocitrulline 124139 0 0 0 534340 0 866852.9375 1007093.938 557436 1748431 802895 0 68176 294315 0 0 0 0 0 516625 5159219 5239250 5331244 3236124.25 947346 1454110 1301908 819928 0 267317 892306 981235 753554 468799 0 111027.9922 508424.9688 2008292.875 3424639 3567737 0 0 165379 979331.9375 2048018 254922 496103.0313 56201 3281216 0 537557 0 471617.0313 0 0 144296 295156 184685 0 0 2792926 3231612 0 0 260562 0 501180 140332
homovanillate sulfate 75290 280905 35406 0 0 735460 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 139678 0 0 0 0 0 0 0 0 0 0 0 0 0 0 903446 147134 0 0 0 116321 1975455.125 0 0 0 0 0 0 0 841118 392357 25119500 11008133 11013 0 0 0 0 5036193 0 0 0 0 0 0 0 0
hydantoin-5-propionic acid 436431 452550 366826 276026 0 1263472 903799 956387 1556185 1836069 2313796 4576788 134952 2123123 723982 1510067 0 0 0 207530 827078 936315 2677616 2476653 1376618 0 2225741 2470422 842996 864537 1443555 1578547 1455894 1601184 69519 0 362635 868128 1594831 2544072 1743421 3552551 409032 963388 2036392 1781234 1370551 1697868 2021669 0 1690990 277351 630085.9375 932793 127970 0 2811719 2982397 404257 356774 1018828 1314222 0 128544 1126962 742158 0 0
hydrochlorothiazide 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2760364 0 0 0 3611105 0 0 0 0 20103612 0 0 90706824 56338772 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
hydroxymethylpyrimidine 42115272 730984 412770 822392 1049351 1081504 602731 478975 428148 1210284 580998 551359 1423960 3665787 278037 4436154 2563279 391280 2188763 1975843 88793 193461 819529 286800 1611809 5939350 1417807 6124208 3900024 5651752 488048 725738 2032577 3023900 1572956 999809 499527 727697 310038 1649540 1138213 3748053 262948 1333075 935480 1139524 536064 243943 695936 0 399105 0 504258 457768 576011 893172 2263965 1875402 3555858 395020 201927 182333 1486299 5750638 1386707 1463724 1697379 1401633
trans-4-hydroxyproline 20113546 38663672 2479822 3990117 12637659 19009438 21275276 11976670 16845892 21458128 9391859 5209387 11288750 14149835 2019865 3833003 3784910 30303116 3940485 20454674 28451860 21055698 11411424 5611551 5152685 7155834.5 11777584 7748318 20796092 6828350.5 14494773 47638728 13381012 24994266 2128268 3880652 52782148 27358916 13550280 5994604 5574599 9091191 18946304 39947968 40471876 7200839.5 24213444 7783245 1354816 73318488 20913424 61275784 11528629 67081168 5292240 1756678.875 10609918 16352088 11986338 9661149 30573080 40584308 4189208 2495982 26625248 21749942 5986220 3101214
hyocholate 617881 144683 2277546 1109386 778504 1075448 3499998.75 812014 1303891 591534 1835491 499557 234489 640428 1097543 639761 118923 276188 98018 276492 1294324 799504 2668048 5712724 453799 328925 308146 383834 466494.0313 724444 1324460 1494839 132601 595250 0 0 3126884 4753252 0 0 114674 0 2394367 6159214 1123847 170690 933405 1728702 338413 47564 5840033 4944659 2828835 4855693 279727 0 659985 509440 142369 491463 851071.0625 849836 28412.998 120668 895363 240627 717606 0
hypoxanthine 20457082 6910499 5259934 9970735 30860540 21371744 8326522 8345579.5 11745354 22034788 14375680 8022089 15207722 22976636 3817718 4271973 6442887 10913330 16367015 18428516 15628834 9507959 12676043 8848703 366087 11264603 21728222 20602916 20794548 21255632 11779737 20770054 17384808 18849868 4691907 12402209 11416456 16940248 4298259 7525930 9343295 4191162 13517805 17446672 21151696 15658265 13382483 3474210 1054612 2790587 14198717 8021854 25504928 19149638 14185220 4753821 50950444 57335948 20082600 13164180 9314249 13331488 4983503 2936218 36774216 40743052 17071160 9006764
ibuprofen 122937 0 2388111 288624 0 0 0 0 0 92002 0 262680 0 0 0 0 0 0 0 0 0 0 0 2748606 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 94114 0 0 2685279 48739 116369 0 481672 0 0 0 0 0 0 0 0 25386 0 0 890400 1603048.875 0 0 0 0 0 0 97462 441889
imidazole lactate 797079 362941 181848.0156 316521 578030 711754 898902 673498 635109 343763 195175 0 1058810 1730984 263071 0 2034349.875 432068 0 394820 595693 1163933 0 393911 183217 261681 640855 504497 439265 457219 332506 167292 0 510518 389528 750190 630133 413207 1815849 561454 301189 4727444 7994334.5 600857 926715.0625 3267831 280601 398042 367109 8181585 3506651 10036639 348889 1182880 781947 534464 1441980 769301.0625 821182 385660.0313 326563 359111 801413 672115 981403 961250 1138980 844951
imidazole propionate 13644208 24973848 8076648 3601096 17856010 3001373 42786736 19843178 23337780 12056377 10036083 10553744 28908964 4456166 333945440 16726151 8206471.5 1397334 3933469 7917802 601364544 437621888 7661706 10080744 1123449 15772755 9591337 10188126 14940465 15031962 28572438 133528472 14460962 97829856 1288307 2660036 824361600 86622096 429487360 4144888.75 25859434 31268962 123965576 294766144 443850848 258197904 16141443 18533060 8122786 3647512.25 245037536 855459968 30034978 188020752 15197994 4522069 5549618 21156920 22057392 67726352 221734640 393017088 1341310 4237215 333929504 274477984 34321192 23884148
indole 235336 201306 283131 400994 0 0 0 0 51853 80078 682198 128061.0078 0 63096 557595 0 0 70468 383067 0 384090 555172 399569 722328 128266 56080.9961 183471 149875 0 0 0 0 0 87534 62427 1505519 0 0 474736 217314 0 0 0 0 0 0 610928 0 115715 0 509674.9688 0 116985 0 245962 146312 0 68686 254625 0 82580 0 122651 61850.9961 1194755 533127 0 0
indole-3-acetamide 0 0 0 0 0 0 0 0 0 0 0 0 1325013 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 73532
indole-3-carboxylic acid 152983 110365 75780 48766 0 66023 102841.0078 0 143103 222129.9844 0 153419 123631 185641.9844 40211 61795.0039 249556 96864.0078 298678 0 70176 74092 93887 0 312978 135170 232652 59991 79768 134946 76264 83048 63528 84228 101078.0078 283080 76250 41972 141244 114187 44738 304949 81022 0 88266 0 179231 70206 77665 0 66240 0 0 84709 139184 77422 0 144786 0 125776.0078 60223 0 328717 160243 127187 67359 110809 229404
indoleacetate 2532267 722040 2264953 962165 290342 390284 884104 237468 1729378.875 2717342 885865 724409 1049659 4018328 4989311 2036504.125 349353 288376 551764 585501 577463 929480 880743 1007082 936845 514714.0313 1141802 615251 2733203 742465 552068 519362.9688 1111538 1639042 230458 1172717 5364208 2432302 465615 558355 222397 775585 201872.9844 240532 84957 79910 6514325 2287060 314810 22332 1617566 1377501 584902 2686771 1002657 328146 883577 1125009 803051 663593 1075364 1007894.063 308841 219902 46147468 31338948 1832043 3445140.75
indoleacetylaspartate 75714 42084 0 0 0 0 0 0 22151 0 0 0 0 0 0 0 0 0 0 0 0 61293 125978 75388 0 59030 0 0 0 0 0 0 0 13267 0 0 98321 18554 54318 0 0 0 3207413 48788 0 0 0 30878.002 0 56736 81371 240778 0 5861415 0 0 65644 27784 0 0 411773 126203.0078 0 0 99186 78138 0 0
indolelactate 289196 2460738 0 0 212877 365683 926373 493239 151556 686258 450599.0313 70623 511104 791121.9375 104922.0078 70229 105614.9922 88975 206794 327915 292723 574955 0 107135.9922 138793 94703 584257 454667.9688 375843.9688 318481 59348 149323 238905.0156 514248 0 98882 3174669 227093.0156 1181307 333854 20951 163538 351960 361563 438232 189124 201732 106516 168583 825487 4813200 9003781 368702 533467 160530 98494 1033130 1170965 71565 515441.9688 8114132.5 9812842 1087193 41353 426308 509499 4939859 555538
indolepropionate 1396350 586870 525020 434909 1552298 3130761 1484514 959770 1483037 1501814 662174 373305 3408674 4295999 579465 179526 691935 761650 694032 1060428 849806 946726.0625 841597 220648 21482 484990 1808151 777094 716045 570486 499787.9688 904883.0625 772106 1042167 83561 567918 1884055 920466 429509 366573 231135.9844 396892 813266 897097 1315630 2571981 1131672 539031 269974 0 3678155.75 631370 630667 1073317 656777 302269 1668961 824679 964656 1833139 0 0 66297 264778 1082881 641965 5022680 6317120
indolin-2-one 24705108 7112149 5036982 8032144 14236195 4991200 397474 878008 1190848 7228328 895333 1366265 31591080 41524444 628228 9031442 52606272 5200672 68378992 30457044 1448002 1340542 1259511 1140914 26315748 3795574 19163804 25787586 39182908 22686288 18314780 42925332 48786360 46753932 24326534 39981692 763738.9375 389681.0313 796165 556956 28225706 31279108 0 1379922 904574 547588 2931484 1160875 1900264 0 847635 0 806838.0625 1201793 3145328 6011370.5 45163820 42709644 49464664 7286789.5 1028105.938 916736 9606220 25479684 40816896 53666248 4753221 2862807
inosine 13321094 14876312 1531593 2118739 10839171 4047471.25 2033759 6756549 38716584 18070240 10059528 6160156 4967673 11400575 2050833.125 882661 5497203 11869519 2996762 1928788.875 6718984 2105660 7390545.5 5204271 0 18637212 5964173 2732556 1027741.938 1021774 2730386 2796819 11888077 7056358.5 422748 1364507 16448252 26600464 3534453.25 3687073 4879950 1655645 1791051 20795644 19397900 23393196 12288586 2435773 0 2389896 54044952 42239192 34866136 14852050 10266098 3449477 15895686 19608666 11839296 23657748 2903691 6799495 646736 158346 23696402 21565228 13404813 19284960
isobutyrylglycine 327054 85538 178921 191101 350193 89826 223705 88562 139223 207842 195980 270088 148896 156003 139981 90798 138722 90020 95590.0078 236907 213398 163824 207549 0 0 198333 0 79332 123639.0078 236714 87929 0 123526 69605 101491 169188.9844 124933 136980 148334 147098 213504 375897 85852 289206 269895 125774 211729.9844 143910 184941 112026 188488 125492 179460 0 186321.0156 176727.0156 390528 269690 154990 123210.0078 148620 279113 51629 145910 0 157687.9844 315794 555607
isocaproate (i6:0) 0 0 0 0 0 0 0 0 1899546 1978121 2475968 2720455 0 4321167 1058658 0 0 0 0 0 0 0 882377 0 0 0 0 0 0 0 0 0 0 0 0 0 2121781 1392985.875 0 0 0 0 0 0 0 0 8760960 0 0 1395554 8949164 1818386 1442930 0 0 0 1987530 767748 0 3648387 0 0 0 0 3323208 4287882 4438241 2348886
isoleucine 808379072 122063232 496476800 432824256 607062208 486778176 537310208 649380608 783353600 975238272 556683072 630073152 544989504 556574080 250232784 233811744 456328032 212421520 771138240 747337216 1009531712 616640320 451278144 428937664 143325296 815335808 614046016 562626112 424248256 361018560 346300256 650001536 517665280 469429600 428662400 372542912 839085888 1034876736 791682240 525661216 364537856 415330944 1054492736 1251236224 278379808 344034464 1437672064 986408320 775624640 599971968 989568704 726548480 1030186560 1027457216 553935488 229154240 640988608 740597184 688628224 200581888 593786688 1058716352 217295504 426816576 360258848 817212864 623225536 486852192
isoleucylglycine 3870997 703098 831698 624610 2620156 1948181.875 1244090 1894668 3373576 4650927 5381115 5411638.5 2591011 4874351 1461828 1520834 2083207 1823182.125 7515571 4370103 4498530 1864159 5777468 3437293 1753603 2671507 1316227 816174 1161201 455061 4452641 7886197 5280088 5449079 801673.0625 482148.9688 5749013 6078254.5 1264388 1020542 1959624 2372186 2760979 12569102 2061948 2401887 5437052 1774706 2299274 397812 10689006 7362623 1358235 8167762 4069437 1604115 2092241 3148080 4274753 1282155 3224488 1422937 516152 661584 2807644 2621217 3714722.75 3037762
isoursodeoxycholate 1816111 2439315 3453759 2981069 2676021 1989507 28920270 3476666 2282737 1030264 5001685 1500349 2969317 3274638 732657 766810 169661 884870 685837 850530 6316213 4544210 1649538 17859726 405764 354510 277440 477620 1382505 821158 1015273.938 10223918 928152 1780909 431420 1868277 1530493 2550471 366633 251621.9844 92661 120410 2154630 11289565 581487 840225 14095678 3763936 529272 0 95324144 24190826 36064536 14912992 430733 257592 4578266 1400253 1686084 1427306 2345636 2239244 71039 402054 17720248 2022318 14930348 13711866
isovalerate (i5:0) 26733576 4139576 23533996 11392490 21963270 11042566 13225297 11094906 72129864 42373196 12310313 24837514 10973160 29782488 7012090 2137058 51640028 5023668 25287708 21093916 12192986 11238441 22679664 4729057 118164760 26596344 30366996 19009784 18088638 15296557 8230087 31211942 32271616 14856515 22291468 28869566 19994412 31830070 16324483 4750721.5 5524041 19105504 2801759 21336144 10987907 8553831 152102272 38151852 46052496 2138770 60870528 4453195 42123208 3987621.25 25472752 9562806 30793520 21394496 12836878 6394322 47619560 40267496 2289587 24354494 28973894 30857856 51357744 80234432
isovalerylglycine 1239822 397138 538740 670644 975951 414979 365131 247924 541830 769149 519750 1099986 720530 574787 550077 410004 731607 258219 365065 504796 255083 451749 391515 242288 359441 451557 427846 402463 515543 911222 308984 621115 592297 397157 1114650 1345319 360465 511680 626747 668960 960718 1663841 318402 571200 924837 457540 723786 421973 525747 157818 590483 322049 623311 407791 980146 637631 1358725 843009 1103531 515678 335602 734149 377573 880801 219251 673904 927113 1606035
I-urobilinogen 2239252 323301 24921664 14464531 646478 6485207.5 8273646 2755422 36573576 8234094 24141732 7791788 0 288564 4455504 353272 0 2423364 115438 137242 14242651 7014979 46175788 12041013 0 534185 296213 2828005 0 0 10613006 39428680 2785441 485708 0 1309173 4324665 20659034 13427191 3581514 0 0 8442688 1978790 2561858 8105792 7680205 22261692 12009078 0 80902360 9352103 3931468 517732 0 0 4635984 979575 893842 3484551 47368580 27405484 0 0 19246884 37915988 0 0
kynurenate 1453367 1279429 1435890 2604866 634412 1152365 223069 185637 198890 209788 176507 77488 3457053 2992951 142280 294216 901567 870871 2267418 2086755 29442 399398 66717 118208 1132535 1388219 675652 0 232852 208314 64567 122671 2111129 948548 247058 1205119 96149 196784 3867058 3567375 1879319 3297500 526082 682520 440309 319432 383157.0313 77290 36124 1425828 215861 109550 212277 264264 263133 750875 2475546 1999732 755764 1055116 4136106 5126235 2646388 517420 671136 879531 2050037 2272918
kynurenine 0 0 121412 0 0 281086 0 161187 263488 278715 439357 279429 138554 0 79976 79169 0 0 0 0 738624 533760 294039 272329 0 0 182641 244424 0 0 0 268812 0 455820 0 0 739555 474496 493272 197999 0 279010 988318 452773 273829 0 573117 236876 0 614109 528851 856046 565629 436491 132820 53942 195509 203423 221386 215935 342241 465356 0 0 902344 642656 153912 218718
lactate 5165958 2889159 2534139 2736753 4030233.75 3670207 5145946 6584819 15656845 6351647 2610686 1845742 4224150 5461793 2905396 1604317 1719029 1544685 2411844 6858667 3155256 5843283 2031509 1681005 1629023 2001992 6906990 5684190 2819981 3457143 3489107 4641838 3642472 4446881 3607567 3045253 7082595 6874759 1832375 1801964 2005355.875 2152899 261913056 9029310 2739552 1854478 4312257 3126146 2426703 92685416 5711061 43322916 7732921.5 16288596 2894769 1258405 4664134 7531880 2707628 6724761 3136836 3153741 3772129.75 3322239 2746298 3548200 4080143 2705021
lactobionate 136195 228148 98529 0 0 159936 199116 105756 368502 163822 300254 156609 131625 108348 0 36032 0 43824 0 0 376099 258036 0 31661 0 57843 0 85118 31230 116454 116625 0 0 0 0 0 174571 0 945891 139484 0 0 0 0 181969 0 73106 283882 116343 2536965 193973 1258133 0 0 91549 61704 56126 111919 0 146987 82809 63730 27343 43451 141109 0 65286 55174
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* 1021063 1456046 1062641 0 239806 773985 3176356 3260686 4124327 534125 8208682.5 499772 401951 2613711 249660 149481 0 0 0 0 5081419 3192980.75 10721112 13272155 0 0 125717 312663 208095 0 0 1423478 0 84920 0 77642 4197881 706519 0 0 0 0 4027738 1980320 380851 0 4959542 7845980 0 510643 1748758 683381 6665493 2415882.25 0 0 0 986898 896985 365712 6433434 12848885 461468 302775 1644906 1013161 642781 335451
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* 428031 432951 680808 0 0 615744 1495485 1618611 1781776 569309 4682649 465539 348462 2178445 0 0 0 0 0 0 1861935 1163624 5584231 4217071 0 0 81682 162227 90325 0 0 709200 0 0 0 71044 1553177 353110 0 0 0 0 16628618 1132969 319879 0 2692371 4440324 0 4423402 953377.9375 335050 3609498 3015091 0 0 0 394894 382494 314408 4478035 5042993 237403.9844 513192.0313 1589350 377092 720456 921087.9375
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) 1304713 1243861 1747349 126569 278320 1702825 3571269.25 3406542 3664830.25 1796458 11651405 1388175 823169 5099109 439543 256318.9844 0 0 118480 0 5970445 3788409.25 12802335 11848024 0 184978 265349 309904 426857 0 155474 2257302 0 285765 88538 304520 4877626 1022254 85239 0 56974 113142.0078 32787414 4174730 970896 0 4884562 7253917 223785 8628968 2182971 971185 10001410 5446301 177185 235366 196946 1373205 1231774 847912 8385690.5 10759506 669907 1168024 2509087 1032412 1533615 1613466
LAHSA (18:2/OH-18:0)* 3245928.25 8972158 2248506 7141725 677195 924283 524018 628912 2625975 2790214 280563 359245 9394335 2280805 3541874 1940999 3653005.75 1429999 6419702 67731296 49281784 24173692 2739481 2752077 1148396 6925783 2067967.875 4981870 547276 1378648 10566695 18929536 4905804 23460556 1139811 117895 9409462 4628417 710247 4037874 5721066 3073886 8360000 6386565 7224826.5 3035659 1359192 6803844 1871949 0 2171334 1778446 14930557 29739002 7942798.5 25691250 2299490 1896637 5633265 928020.9375 2279590 11753710 1089222 3459896 4964802 3780772 187397.0156 252781
lanosterol 2660870 1379239 4075103.25 5897821 2646810 1262402 640980 1291373 2176243 2474586 2752011 1675833 1667881 1142841 2489957 2552440 1117421 342883 5448094 3981382.75 1138842 1406506 2211860 3122004 1143580 704950 2930684 1911935 3909714 6404203 2694827 6035259 3336517 1966211 6814046 6256028 1964268.875 1892032 945483 868297 1965458 2031152 65557 935858 995443 1080564 810708 1507646 1243586 1872088 2182695 1608671 1860304 1211330 1269294 1805392 4918169 2997648 2203780 1380399 706302 1633406 1109114 1304383 439694 410268 1534673 1998130.125
laurate (12:0) 676128576 899510784 105447544 297155776 956228672 38208304 18374592 105286568 465916064 102501368 10784531 34074760 158259728 22196302 65596368 179323744 1536238720 22249888 249402704 284964864 71817704 42521540 57843368 44320536 1548587776 37367648 43159128 46034596 42614256 75363376 29869140 51274756 114889864 49616804 346866720 654881984 201090544 187451680 130560712 113918312 127515944 844841408 18118460 254581008 3342052096 3616300288 46931892 211550528 11582260 5046729 203029344 169863376 92762600 22027892 31134254 60718744 33619348 170458544 176795088 56534872 41607344 453404384 35921320 713259520 11622676 1267124224 58777816 160445904
laurylcarnitine (C12) 268643 123125.0078 64222 0 73074 66753 0 2169753 145118 133693 66195 0 527968 0 0 51654 0 495176 0 190687 377732 216327 0 86012 0 202942 181142 0 0 0 356020 389912 0 0 0 0 2554895 1405065 0 0 0 0 1749059 2943376 990791.9375 58943 174643 129059.9922 0 47649012 6083671 16484224 1700127 2232058 158298 0 51609 0 222544 436676 64116.9961 208765 0 0 279018 110314 93018 137456
leucine 1010226816 168092128 521220608 423549632 660220224 525532544 541399616 743990528 1012708928 1164247552 680814080 702229760 605024448 635363008 332610272 299299680 460555776 337073440 723225664 754838208 1413930624 621354368 590480064 579474304 197512272 900612736 699920000 609887168 471300768 378838304 455993376 673752384 766435264 634514496 411580960 374194720 1034472960 1058246848 829460736 507752800 392677664 476354624 1592512512 1477214720 384105760 474422016 1847684224 1027262016 715264768 750115520 1381043584 1115508096 954833280 1064329664 588046208 238564048 685197504 827051008 744246144 259554000 657689472 1066255680 207757328 396378464 369459072 840138624 824753216 800942592
leucylalanine 1529697 1976149 285339 280896 1234788 1688062 1790097 1360764 1640044 2548606 4802919 3514519 3458207 5694605 4161080 2717771 1486903 6027479 3855651.25 4014364 2811748 1279726 6516899 4111638.25 6430898 825106 852930 794862 572810 263848 8703570 10696976 3801716.75 6317070 1156955 328858 2345558 1492211 516431.0313 591700 1217879 425804 3901240 6049480 2151274 2368777 853633 1079447 4031448 0 4035508 6877817 784337 6451978 1395428 1397580 1251025 1610429 3447785 9724050 2534768 814946 705753 574655 6338543 1093876 791796 1665082
leucylglutamine* 770633 831054 70588 142744 732263 778783 594707 905031 1071694 1073379 1509497 1570116 1369670 1926496.125 1514252 725123 546847 4364167 1544230 1204438 1470759 654215 2557045 1745229 1727607 493678 486877.9688 498572 526407 255175 3866120.75 4412117 2348132 2293972 117296.9922 0 1747014.875 1083611 370258 293375 299573 184360 6490203 4011183.25 837832.0625 1170190 686037 321301 251626 122348 4109843 2681216 295834 3935014 581916 396630 435787 772465 797961 2599222 1030362 384256 196494 160971 1599204 491868 716453 827544.0625
leucylglycine 320157 192664 80890 77892 294561 486004 484975 240293.9844 398069 540892 1347011 1219820 733576 1510848 838323 487673 266567 742192 1810194 1165896 1098711 390318 2184315 1528182 346552 187344 234262.9844 238193 206832 87684 2387379 3979510.75 706620 1055505 242338.0156 146381 723291 452856 203137 117263 233767 178039 1012312.938 1339141 528309 590984 510543 247914.9844 859081 110902.0078 896215.0625 2701631 196859 2867616 402329 479216 308092 464853 954339 845717 671357 159624 133390 177660 1898797 434724 215388 376851
levulinate (4-oxovalerate) 1516250 1389100 1602429 1019969 1496224 1230898 985991 943789 1582043 1641187 929174 800302 642714 1896205 632171 0 875740.0625 0 638414 840068 608686.9375 632345 944578 745285 440057 1551371 2104849 2213969 844260 1462953 667336 2205081 1449016 772377 518664 505080 1082639 1050191 1136868 0 497082 0 980340 1630045 860072 861228 1725856 1219518 631659 0 1482822 0 1426169 1104637 1019699 442102 1227386 2142024 1001159 1476528 1140026 670625 0 697278 1955299 1028934 940401 1284982
lignoceroyl ethanolamide (24:0)* 964440 210249 2172294 2839405 949382.0625 209574 109750 560682 860091.9375 996363 391738 1394332 822460 649687 870775 2336351 287932 339267 1610610 1067714 1057702 1405028 1176691 795574 1113939 1270506 599515 1179056 1304867 1677926 947376.0625 1893954 1278731 802649 2415048 2390200 772054 329225 1343331 1253036 626028 523938 229231 528712 1005581 705867 209587 451527 1532590 60872 507129 238094 158119 170814 2874670 2426110 1091550 1847824.125 855993.9375 333750 260397 373676 318866 719525 209115 196074 1413981 1349970
lignoceroylcarnitine (C24)* 373734.0313 103277 631748 986116.0625 332810 308428 207552 95879.9922 336266.0313 376034 432564 263797 179811 208579 364212 216983 289550 139440 456642 234119 375603 260858 278769 573744 416857 312598 213306 347554.9688 788802 630465 571747 797403.0625 238190 261320 590313 560674 221186 228081 408723.0313 331924 330937 213124 386915.9688 334172.9688 177956.0156 236114.9844 413531 781850 282827 236715 142390 210992 142661 190634 530003 201158 524876 336356 364574 196067.9844 323972 162603 254791 325661 258224 215405 315543 284211
limonin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 317486 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 966086 0 0 0 0 0 0 0 0 0 2730948 0 0 0 0 0 0 0
linoleate (18:2n6) 2403221760 9160177664 1269250816 445202528 6658978816 4446014976 2763100928 4521127936 2329376768 2248474368 859893632 2470958592 9580472320 1032436032 7634418176 4680940544 236521712 2304046848 792101504 10151815168 1566299136 567426624 4529276928 2954483712 94718168 6536023040 732313216 886384832 187840224 448853184 3558117120 4264127744 1944110720 2668392960 272631392 328857952 4140470272 3402472960 385779424 2825012480 2216012288 1491285760 3535292672 18711091200 9511571456 10850886656 1239176064 4437987328 4127443456 700455616 1445474688 1563302912 9276796928 7481250816 4870801408 5206269440 3665027584 1179974656 6411365376 1308974592 3267066112 5565959680 594389888 1339342336 479360160 3709339648 477791744 1337084544
linolenate [alpha or gamma; (18:3n3 or 6)] 121289568 3330900992 115495400 125321032 1068536896 161388544 114244880 865615872 126645240 569634240 40913312 126032472 213677824 64585576 1677191552 39419956 10813105 51102716 44705048 3214404608 144935568 68080488 360496384 227408896 3822762 113406416 47199288 15880657 17099876 38545680 78371384 315418496 124129792 255350288 14856874 23266226 315642464 183939472 13646508 2507330816 39528960 46942992 28940684 334115616 2615151104 1688249600 240440096 112878808 405505344 59258108 78375096 116879512 573271296 368255488 2864935680 1269329920 955502272 95799032 557916288 3034077440 205419440 750739136 14614938 16803372 115963432 924641408 32481264 62397248
linolenoylcarnitine (C18:3)* 5631418 5830835 5791767 10674658 7975477.5 8205247 13562091 7323452 13781595 16784924 10282595 7186749 13092574 11966008 1904931 1255523 13782973 6538672 7065236.5 12030057 12402604 22584676 8365747.5 8707285 4603606 10623334 10135550 9254744 13250851 14818328 3118782 9879994 3338495 8108244 2483906 7960919.5 0 9442326 6393742.5 2917041 4599239 8749046 0 0 2408831 1999452 9907537 10490217 1435498 0 0 0 10973259 3588552 6514972 4680620 12649096 6231903 4582404 2841730 4739308 1546195 3522398.75 4600245 5877945 10696145 20214398 23583836
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]* 119633 20598276 0 389912 7703040.5 0 133402 8917911 312226 2391432 71962 125335.9922 141725 266862 6177700 0 0 760790 0 5746520 170651 388186 1515112 0 0 106161 96441 403092 0 144088 0 322792 0 0 0 78516 0 0 0 36293024 0 0 207906 0 40733288 12329812 0 0 1014695 0 0 180769 947203 2214458 20190356 9842205 6327806 0 571232 166348096 112966 157639 493625 0 301790 5970451 0 54944
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]* 176048 37774672 1562600.125 1359112.875 21511292 0 393150 22999074 633708 6501621 585448 415761.9688 207003 930238.0625 10739475 0 0 1173436 739332 9260594 427998 835037 5481650 0 0 421671 324912 1198348 0 311480 0 614906 51951 294343 0 164765 0 0 1298793 100076576 0 148345 202150 0 66476984 27099868 187222 846365 1326652 262735 63209 205137.9844 2476591 3597436 29207612 14853921 21834012 293976 1368087 388090880 196713 485935.0313 2032177 125975.0078 1056520 14260030 0 117196
linoleoyl ethanolamide 1133885 3619627 11790136 3026286 1882690 151841216 2531230 7645716 12853116 2902275 5365067 1929306 7068420 6915285.5 1354252 1071042 0 29010 101822 349354 115782848 50489280 574371200 1346397696 0 1826095 278078 720682 1442904 632408 4144405.75 4922272 1846580.875 3777424 0 735995 683060096 459549472 332781 1211248 3780592 0 1841588 99388976 13859278 2108604 2478584 2513007 23052900 24676236 71268464 46965904 75819352 18417124 754699 1040851 2171780 2434273 1457061 1539998 127226600 40419748 201038 425239 1400186 8718844 2410432 720734
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* 175517.9844 0 0 0 291918 451539 341084.9688 0 369060 459384 329980 100715 75738 271223 0 0 106027 0 0 0 190052.0156 156489 314282 312887 0 164997 305871 0 273118 534707 486149 286341 0 0 345759 418955 0 130466.0078 437098 217226 0 317772 5559853 0 464686 314682 0 297756 0 4995518 518730 567514 215238.9844 560832 243048 0 353314 769875 0 0 479401 0 0 81635 1036823 428972.0313 0 0
linoleoylcarnitine (C18:2)* 215072 146904 3314781 1290468 0 846675 0 0 3630036 1610902 0 0 0 1170047 0 0 170192 0 0 0 22777612 7000917 746211 6677980 0 82417 271566 64060 0 0 7693693 11031478 0 384432 0 0 15289422 16913200 91139.0078 2093991 531401 0 3805881 3039705 2676839 0 2785064 959652 207669 12705665 7669576 6297949 5948096 4981973 0 0 0 125781 0 3005061 297576 7884761 0 0 836495 651600 0 0
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* 660349 114032872 2891523.25 1520135 15533447 134914 3782284 33225288 2056109 8904389 1153720 2840693 3162126 1360052 37233512 275757 397412 4244592 1798732 33472294 2145556 6099603 10232212 1193279 757535 1948635 1366827.875 820763 1595698 2728524 1354733.125 4230105 565083 1121349 523659 1625987 1639851 1054930 966757.0625 20309086 259723.9844 313007 12089888 379386 54449760 98524656 631087 2468345 3247697.25 562045 333782 550451 2377864 16015048 12100388 5958260.5 19837944 346482 14490282 100971176 735308 1193113 1387469.875 729130.0625 2913969 14694280 245801 595308
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* 1725329 182464944 6388456 4539473 39883808 412792 10340929 70145888 4497004 30321414 9106970 7060327.5 5028544 7806559.5 68438120 408073 1000420 6273884 9137553 55879600 5041703 16071219 28978810 2645736 2101993 6669530 4471751 2643861 4975668 8757113 2477977 7695453 2137750 2959683 3125537 9749504 3759619.25 2117857 3482130 50150760 687569 1414408 15094699 368607 80866816 148777712 2027673.125 7749461 5598103 4210143 1708592 3109826 5321179 19671130 18125864 8782201 59394072 831545 27211318 238797168 4291647 2033430 6243454 2085992 11030283 34853984 371211 646938
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* 12101893 280461632 15281279 4071356 59670528 5595739 74800960 147577104 41436360 48459976 20998724 56206584 213369824 23305356 107290912 22935628 1951473 171504448 17789452 110745536 53030800 76054160 109359696 14244988 9466426 72071704 46456436 36590796 2159695 8138317 78201936 67456392 6089937 5770787 2611195 2794453 27421664 29682104 26760452 20833712 5723304 5003368 903710336 77352656 334453056 427847104 6103064 88944096 33893832 7677938 8504764 6788188 58952144 383953120 12056074 4796116 29319236 3153136 233168112 117687624 9937296 21507542 25907596 8128546 5728304 21419760 2651318 7370548
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]* 10705051 162972144 21228356 3706187 28997286 2991602.25 26714216 61799032 24065862 32372852 30910816 22599612 82611264 23994798 42580392 6593345 449660.9688 71661528 14599414 36165836 27259716 28220908 40596988 4128734 2089480 53428576 45237888 25003292 1053671 8448408 22044708 17020172 3190913.75 2378947 731528 2936022.75 8697725 12576453 15772684 18283718 2266383 1802476 578918272 19132880 113048784 165779232 2570070 54210408 14875254 9600020 3288454 7208808 28780746 196199328 12033259 3553273.75 17238964 1298045 109576928 98026520 3033657 3967520 19591272 4828660 7940675.5 8176125 675772 998209
liquiritigenin 31406 447612.0313 0 219515.0156 3078700 449093 131241 4868726 13620876 9125358 0 34270 0 0 90759 385354 0 1879410.875 63347 0 1086393 3391735 0 417206 38805 60064 16922 36862 0 0 68379 0 33622 2215037 0 0 0 0 0 0 0 0 1371476 57039 369193 0 1589416 638581 0 0 1121855 476688 0 0 0 0 0 693215 0 206324 0 0 0 287499 0 0 0 0
lisinopril 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 75458208 130838672 0 0 0 0 150762 63813 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 136387 0 0 0 0 0 0 0 0
lithocholate 499251904 285412480 1445908096 1076007168 942944832 276164512 278645312 342279616 1094655360 1344644352 1349714688 953921600 825095808 1066628928 467273984 341166112 376680800 216983760 762090752 797731200 2317251072 1695430912 1222477184 1778486784 132142136 217994224 841811136 843287872 855352576 1235153920 572585536 870747328 808349568 813398080 616672960 1044767488 231856512 731313408 456050560 313598208 184096064 125359552 1023644 1710984 162108976 86446104 1381529856 1251369728 158347408 0 2178728 1255230.125 558166720 220309728 336118592 275105568 729733440 360320128 867525376 408080736 336407040 285045952 217166560 409802112 948605056 754544064 1971242112 3278797824
loperamide 0 0 0 0 769798.0625 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2250508 0 0 0 0 0 0 0 0 0 37352424 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 63584 1570800.125
loratadine 0 0 0 521351 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 575827 0 0 0 0 0 0 0 0 0 9631923 814757 0 0 0 0 0 9833883 0 0 0 0 0 0 0 192630 0 19769208 0 0
L-urobilin 9104401 1102011 499019.0313 2414799 77664976 16596174 399840 472940 1574388 9075896 18464076 90179120 23471084 73475104 0 1195123 14384467 5448692 79782424 40478240 0 0 3123415.25 331743 25942010 6842454.5 30679112 74353992 24487876 43313224 538681 989391 16878824 10803400 26264064 39916792 0 0 0 0 14625671 71442440 0 329742 0 342057 0 0 4825824 0 0 0 0 0 18939340 3239561.75 15576748 6652671.5 4968214 5112731 0 0 9177761 25680344 7587510 0 0 0
lysine 716429056 176051872 308556448 269065184 461844832 419494208 389561824 309578880 866074496 1013593216 472524416 341694016 568186560 593630400 131756376 191746272 321371808 252973792 515590048 594510784 640297664 589507136 485199072 335055328 150636304 594150528 640545920 572688512 199904000 232226688 459653632 536480928 522377632 629619840 158059872 177249536 1153538176 751812288 544339328 336105152 159825760 190221840 1004357056 977111488 225711344 260570432 1087772160 644302016 370643680 855492992 1167441280 1608717056 543150656 736786624 395438560 127235824 455944320 567849280 636517312 277045824 437747104 729045504 153835120 163530512 399335296 564958208 631866176 560316416
lysylleucine 0 260716 135167 225609 0 252429 0 0 0 0 0 1101990 393673 2499461 1402410 1252720 227537 0 1064048 0 429874 66861 0 2102242 2896819 160536 0 0 478381 185826 2069717.875 3050952 0 0 324833 135883 507154 148824 305474 259564.0156 189838 0 1694128 0 0 0 212236 302249 2778106 0 0 1902466 117845 3252871 266037 426083 92984 195493 0 1903965 572977 0 91640 114060 1811874 333201 0 0
malate 63061688 21736558 30897880 56418500 121068464 80950816 80050704 120524208 43445456 162508016 33613788 25525368 131945872 184780944 3984556 4892661 43331608 46782400 64446752 67311832 54431292 32650904 35032608 12076949 8378916.5 22537752 309124128 331684288 221703424 191620448 74010360 85566152 92746400 225780480 5346612 11380139 93574464 66763408 14974044 27374132 12596433 11846896 51738812 121215360 102159792 67830904 54272896 12849384 6527124 71818096 32075440 46864176 56939472 88917248 31544884 4936584 224059168 284499904 27109078 78787288 29602274 12099595 55087680 36983264 256768768 92259392 1260418 1685901
maleate 1801401 1168396 1548321 834041.9375 599078 676987 471385 521845 522831 896796 499122 489780 719613 453067 602935 582373 730221 500889 526497 505386 992819.9375 928837.9375 415880.0313 615664 536460 325505 585462 653221 609727 710917 670729 861687 548973 1003455 834202 799148 1094447 614142 1181822 1081255 1617524.125 1553679 937057.0625 633120 816321 374273.0313 709874 597379 442408 693684 288591 559475 962702 602458 1182141 915891.9375 940188 1012906.938 1436737 2154502 375275 794998.9375 523312.0313 636106 902346.9375 530320 150190 360867
malonate 146360752 40599404 3363022 5352503 4726214 4662316 28477456 5684823 24479924 2441233 4072366.25 3380177 6928619 2009494 3546335 2977286 6247214 7581484 5152473 3694392 14728637 40925720 6536171 6874676 28055146 4543944 20363428 13814674 2803811 4161639 7446031 67451736 6426712 5181074 3638861 9130551 60366264 56176836 61595760 5629686 5632795 5375389 40601856 13163631 25336204 10190157 7080170 3966883 3785898 4697912 8396235 41718856 30286516 27229460 4494212 3193976 6100566 22889712 5628242 39394744 26611212 36815564 2582009 2904703 11124419 2347643 1288195 1783282
malonylcarnitine 1023004 614229 629357 373457 671680 812724.0625 477504 0 453677 759470 0 801130 422436.0313 346975 0 406671 165166 307157 0 255241 278422 522119 347378 270408 222029 783276 194276 675613 1929652 1251977 512975 708777 1380105 424379 652845 965077 347607.9688 585763 403309 388192 494918 310710 291146 484452 1200030.875 618362 576907 901060 387682 1040036 1431008 1141604 415844 332195 735771 0 2039303 1430103 604341 500456 802582 636512 110677 207004 802432 843254 233580 421584
maltitol/lactitol/cellobiotol/palatinol 106895 0 0 0 970145.9375 270951392 72245 0 0 0 0 0 0 0 0 0 0 0 0 0 268323 0 0 0 0 0 0 0 0 63545 250933152 65683 0 247207 69677 54717 0 0 239548.9844 705218 0 0 0 0 0 0 189943 401390 1642583 14533214 0 2175520 0 0 0 0 0 0 119660 0 0 0 0 145621 2309131 311830 0 0
maltol 947362 377093 0 0 335109 0 375931 0 0 894451 633294 763581.0625 513198 1036564.063 0 0 936440 0 0 0 885713 617774 835656.9375 660881.9375 0 598427 958130 1606528 0 0 647150 871146.0625 394840 420127.0313 0 0 0 672429 1381691.875 951744 0 0 0 350689 489481 637434 0 1080605 1452824 0 441492 801239 0 0 1058394 0 818650 534059 0 588704 672170 0 0 674987 764831.0625 558433 0 0
maltose 2234578 1206047 545888 641614 4003016.75 3923560 1246895 2749718 7556783 3719954 4763436 223507 5840209 7013666 702964 1277238 1392325 5124274 717598 1519551 2767718 2847717 1352785 4998718 1018852.938 175469 8592967 1361395 1849134 743994 2603168 644555 1372546 1566144 100076 629706 756881 1395660 0 941594 331384 553451 2373722 1413366 17921104 8559089 4644975 410350 706843 32108512 2063776.125 1535641 1603313 780581 1152345 1106132 4275243 10009210 696318 12508594 1773339 1128985 278458 139554 3424300 1812316 1229003 584795
maltotetraose 245881 430961 0 0 45550 495726.0313 727495 380199 463516 64346 958287 0 86878 59085 0 116063 0 111611 0 0 0 0 83054 331203 49526 0 81589 0 0 0 0 58263 0 0 0 0 1801050 1844589 0 0 0 0 3412065 0 0 0 2951699 931026 0 4161991.75 528184 636201 570538 0 0 0 33487 0 0 1823895.125 667283 2535346 0 0 0 109602.0078 0 0
maltotriose 267148 414991 0 0 284698 114893 0 123640.9922 29626740 0 589736 0 118124 0 0 0 0 0 0 0 1077989 0 0 214321 196054 55834 0 0 21762 0 0 0 0 0 0 0 557633 219767 181634 0 0 0 149585 0 1010409 242280 406149 430128 0 11512461 129243 13290450 285157 0 0 0 101950 0 0 3850073 61320 0 0 0 0 0 22414 0
mannitol/sorbitol 1602801 646517 314426 360295 954792.0625 2830730 900419 1007082 838904 496855.9688 504496 149048 3075036 476333 141655 113822.9922 155623 150386 142147 690980 1178767 683572 465814 255692 538935 1295497 317689 270321 394484 271129 1743195 651355 578758 2567745 163368 394381 662657 532926 424904 415496 336597 297121 648358 1199574 1579302 665783 7781467 1162602 391174 1302159744 4104419.75 5559483 476584.0313 2289810 492441.9688 137231 1050862 1491647 478273.0313 9414111 327428 1269099 258410.9844 266870 4288948 1420944 1192467 915903.0625
mannose 640795 303865 457273 599892 1120902 1183384 1104391 1187007 373522 435852 662622 424744 842947 1412327 122986 0 0 446684.0313 345747 567979 823158 0 671710 502320.0313 0 341644 610452 549138 1259053 612166 914493.9375 973401 543945 1444433 0 363439 640883 409819 0 249889.0156 262909 142593 483687 1132828 2804573 1634423 192071 254444 0 2785917 751437 529446 1078324 1154161 183680 0 1743401 1485288 631891 1031938 522270.0313 490344 0 0 1730676 1733198.125 513462.9688 420458
margarate (17:0) 48385776 92179040 286347648 268671232 169954192 176900416 52272816 45567704 44361076 39863552 33153836 183242416 474384288 70930360 156074096 221815728 7131582 9505609 183804992 278625152 10501827 3645024 176200736 434936000 17929212 110017048 11673264 56292328 292966848 566003264 105643736 226461568 431353536 432139872 709081856 447502880 200100016 51030204 68785928 192208576 331713280 761254272 10361983 1027908672 99405496 241838736 14917347 534438400 145739856 12895843 69982320 51139008 252787760 46983612 40386648 128115288 429543360 196978656 170659184 7041435 165039776 258935440 104774624 272692032 10776956 911445760 131524456 237002688
margaroylcarnitine (C17)* 289839 0 3713168.75 3753250.75 362872 1037864 324843 0 1796208 1120089 702890 284335 295018 1634830 176066 421220.0313 0 0 0 834645 2530259 2169903 1804118 4624965 80017 114232.0078 516858 649896 595253 461210 2151890 4663264 87340 760307 221013.0156 224507 2567106 1497891 233072 348504 491414.9688 92224 248530 1465726 712308 0 1382903 2008705 129211 483153 1389464 964363 1215620 0 0 0 0 517259 1240690 557601 727430 1430070 78711 0 482894 1215229 0 0
metformin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 158423 0 0 218644 0 0 878773 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 240102.9844 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
methionine 585912768 75092408 258167616 231318384 386264992 288083008 331510432 406801120 599504064 753108032 418814016 437124288 378173312 431758048 216852880 122470232 210877552 186330288 421530240 508455872 469944608 372077728 471032000 343922784 110385448 522892800 367496992 318207904 214955552 185326816 320167840 536128352 542232576 353133216 202982128 177664048 590024640 687749056 429650336 262394768 168368912 178001840 733328512 1208675840 167712640 230486816 942188672 639757504 430624832 189684032 979655296 543194240 551551808 599915136 177953920 104769216 270465824 336851552 389375328 197447712 366460960 573711360 108453632 188408624 256808096 508771744 439153952 203024416
methionine sulfone 0 0 0 0 0 0 0 0 168565.0156 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 120235 0 0 208441 71228 0 0 0 0 180610 1238660 0 125234 1310424 175746 141506 492616 376888 466924 161795 0 0 0 0 0 253443 0 0 0 0 0 0 0 116228 1895431
methionine sulfoxide 166920656 35550572 47746820 29984896 79462104 70510328 42086140 65373836 113898632 176942352 76964488 88479544 81811936 68362240 35048336 71090032 81571576 31074042 90254376 64352664 43415820 47156992 56988536 129328648 19255500 37594188 102903712 84592848 47763144 28006390 35989016 50632064 57800356 156549056 33083254 35010472 99340384 71656216 100169920 64090056 64681400 101850496 121705584 187470544 91503216 103273840 202505296 126539280 67377720 39503460 73916456 42599280 127486784 129560504 212390096 49315308 140157456 196788784 162414560 35217960 62791048 134793520 22756656 39076088 20783006 55970520 67287064 143232592
methyl glucopyranoside (alpha + beta) 1281773 819499 763541 603560 352323 585973 0 1192815 1022026 470134 1955434 716134 596239 5517448 0 0 847351 0 171859 359652 0 1140005 1131739 1247616 1268619 381432 1569448 329500 799694 653101 496517 1113382 969747 1099120 1187488 2406062 0 1092371 940864 0 828746 678147 794801 925809 1844455 1463186 604236 0 536825 2138177 0 1235570 2726775 2152860 410373 0 698854 739126 618602 1683775 679963 1686036 713116 1876187 1021660.938 1039674 970223 590197
methyl indole-3-acetate 431423 0 0 0 0 0 0 0 188114.9844 332151 0 0 0 0 0 0 147153 0 0 0 0 177802 0 0 0 385666 117689 0 0 0 0 0 0 0 0 0 55330 0 147532 0 0 0 0 0 0 0 169861.9844 380300 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 237324 0 0 0
methylmalonate (MMA) 18768456 2657511 2052290.125 9779631 5618469 4614814 4768272 0 816159 634919 6155801 17921384 6718268.5 313387 2814936 590559 527183 1295738 10604647 3286754 3898334.75 13303291 7259333 7259967.5 39043580 19813544 18149664 15970121 562947 4666643 1383826 5364676 6721789 4650795 2855923 8006462 0 8739061 50400484 2119659 938548 1477519.875 599373 8284404 14270571 2290288 3389590 5808402 1683202 2197184 0 3058602 606497 1966230 117018.9922 2115587 25785412 18685472 3859999.75 4037944.25 0 6979107.5 2184011 0 11540177 0 936738.9375 1232619
methylphosphate 8380423 7493988 2692030 4522886 1743938.125 10110346 8991147 6899976 1908787 3240145 5373727 1573303 4991951 2238654 5488383 3616369 295299 1317163 1123817 4288114 4195464 679328.0625 1946661 4064072 0 499553 2409459 3989565 5367085 3992116 8813506 11184700 7588609 16143491 858551 1314848 11028747 7092419.5 2160548 9425647 5399860 949402 19945936 15225102 7415358 6852356 3819007 5657408 3390110 4044398 1639941 13084357 15250746 27036948 1185752 895566 13824359 19337092 4053929 7048356 11999954 7567758 1510614 1707231 5022282 4683901 665137 221346
methylsuccinate 79331760 45349588 36476508 100078736 4849318 7849038 91315728 51773800 16193805 24741350 18339648 8868139 23543980 44993084 10948969 1384099 51565872 61287144 190080880 11690590 164254768 448307904 176988832 62984788 69645144 34833540 220461616 89343712 57280488 118690552 186731504 67895872 16137356 36947080 24816794 10839187 62080292 33641216 161377776 149948880 8299358.5 19522206 5084933 8997884 145745808 112148152 30171628 7153634 115630296 465886 40471824 39929104 350492224 15615950 19436834 3240270 94644368 114160088 45176072 182833648 73949104 61778156 28334662 137321952 98685056 52066444 669330 1031809.063
metoprolol acid metabolite* 0 0 0 0 0 0 0 0 43449300 41342912 0 0 0 0 0 0 0 0 0 0 4620977 6133269 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10286602 9585329 0 0
mevalonate 395753 307021 262200 330620 282242 2883693 3562576.75 6621721 544586 457266 1151523 351503 388538 1644044 213628.9844 293110 187546 376121 142620 128036 1589946 2350779 472603 379579 265717 143964 1019369.063 265563 392719 260305 2799093 1755207 239659.9844 146129 130774.0078 189021 7859545 1631030 837487 905545.9375 114587.9922 0 5320881 4358953 4689207 3335919 1564369 3216300 2253764 2664608 1801430 2177316 1959991.125 4764751 94570 131232 4468818 5107193 499423 3220783 2289842 4149456 0 165931 4960377 4796304 2736844 680117
mevalonate 5-diphosphate 176964 0 0 0 276702 326526 444468 203832 49497 159869 69583 0 1172508 725746 0 0 0 138375 0 0 0 0 0 27774 0 396802 231774 0 122392.0078 0 108712 461238 196780 897929 0 0 0 0 0 0 0 0 0 343089 211751 159735 0 0 0 0 206932 197848 0 0 0 0 255264 228368 871807 572492 0 90824 0 0 241443.0156 215474 0 0
mevalonolactone 1104010 0 930903.0625 2549473 1070145 991466.9375 3246556 2348727 1319515 1187005 2137512 1148485 1667547.875 2452739 642241 0 161455 0 264859 1030248 1492418 2780520 1144802 1068718 713202 799823 2385277 801854 619926 1568975 2025405.125 0 1586490 1734920 287427 642223 10676367 2893792 1522101 2929334 701116 1315530 1237710 1893207 1253320 341128 2276045 1542889 2193291 5319566 2121284 2416693 1953789.875 2070241 1001389 999444.0625 2898842 2708159 1502523 1310545 2551223 3081693 599012 1226075 5007182 6948808.5 2318264 2958862
m-tyramine 756731 379496 478627 466476 617766 501737 83475 0 198203 471751 0 279116 324670 36507584 722987 407604 432841 297117 626336 533940 1121304 606830 0 266599 0 115889 213781 0 607832 1275609 0 0 828007 4815740 1039571 1013459 0 0 813115 1088277 1351875 1816750 0 123670 0 0 271583 569681 0 0 0 0 612837 0 231619 712872 4651786 0 725943 1515302 0 100161 369888 590783 0 0 128894 387993
myo-inositol 1211060 1838034 475749 441863 3751720 1791116 953199 1018322.938 1214246 550671 706677 400356 1267543 655789 0 0 0 980667.0625 96937 138324 333455 0 430365 399707 170496 1140423 524728 492676 3018931 3027244 397463 404173 568807 1060537 0 247195 1049794 430597 665351 983050 2016387.875 889414 4253376 1605854 5500590 1945024.125 1112591 638347 0 11863242 1403443 13101011 457236 3002916 247060.0156 242836.0156 2467678 1952013.875 309804 1191595 0 244337 122090.9922 103462 663070 1104225 951633 1128192
myristate (14:0) 339148160 585065600 872589504 1261850240 1340196224 327892544 195300352 606270592 481172160 207314736 105664128 344453024 1161868032 120423904 501927840 735026944 367673056 67968568 1698822272 1783619328 201247968 66914284 613490752 841520832 110678688 176035888 68606816 342060448 362972192 580967232 316028384 715698432 826779328 551296768 1935729792 1872461184 990872832 724966848 250306304 473711200 880781952 4934098944 69310136 1992056320 2048501248 2577444608 79662240 1667436800 181231456 32043332 590623680 411625280 1032945216 169609424 172305504 425265088 406015424 269323584 1080742272 92315400 671839744 2979178752 206084448 950998656 43705580 5803721728 549819776 907622464
myristoleate (14:1n5) 8098286 23695988 8206361 7740262 24908140 7512522 6476703 14123573 38663192 16044327 3362007 6832894 11840454 2400522 17250760 6701405 2342374 1894862 17192888 23787912 32703630 27705962 18349928 23684744 1552274 4511300 9338051 12862530 3606167 5100886 12268322 23157642 7874361 3674762 3383789 2876887 16272047 21510824 1107424 1811861 5461438 65423176 3748023 74088128 2556495 1563856 13155976 38489256 1512494 2071445 19098562 10515578 20456124 7783948 2149767 2211587 12031052 7589812 16766868 5052974 16662528 61428808 741384 1560186 4106439.25 158733072 10242068 6500541
myristoylcarnitine (C14) 0 0 1392892 0 0 0 0 0 2682940 999279 0 0 0 899551.9375 0 0 0 0 0 0 12793962 4050467 0 804022 0 0 0 0 0 0 3333796 5159057 0 0 421264.9688 0 26453468 14066549 0 0 0 0 2977439 1998389 1037815 0 0 0 0 22982480 14393032 13530951 8248756.5 2221455 0 0 0 0 0 577816 0 2759773 0 0 1259349 5394918 0 0
N('1)-acetylspermidine 7848748 6052363.5 474216.3125 739847 2976257.5 3767821 17525212 4702879 7355913 10546180 10207949 270475 2301465 33991736 0 0 1638272 3504540 1441090 1474984.125 47552360 5426975 1675399.125 15904796 1602076.75 11810361 6314793 3271220.25 10779785 5302004 3560577.75 4837767 692368.125 8017732.5 8689.7002 260148 7985934.5 550694.125 1321677.75 434426 97834.0938 57132 11115877 29771216 19381140 2468696 4588186 1501027.5 0 448319.7188 6473867 21731956 7356307 49065204 319623 0 6281955.5 8368960 9835619 42021888 8471557 28654058 348143.3125 322643.4063 89906520 30422616 4773097 4670913.5
N(1)-acetylspermine 0 0 0 0 0 193838 0 0 93330 0 0 0 0 0 0 0 0 0 0 0 1898735.125 1356806 0 0 0 64561 0 0 0 0 0 0 0 0 0 0 461257 0 0 0 0 0 0 361946 0 0 0 0 105275 0 157163 0 0 0 0 0 0 0 0 0 0 137637 0 0 475657 299000 0 179775
N-(2-furoyl)glycine 301826 0 0 0 0 0 90782 0 0 121008.9922 0 0 160046 63994 0 0 0 0 114140 0 0 9034317 103618 0 0 0 0 0 0 0 0 0 133304 150695 0 0 28790 0 499025.9688 247029.9844 0 682936 130009.0078 106592 0 0 0 0 0 0 0 0 0 0 92802 0 0 108312 26906432 0 106741 0 84607 0 0 0 0 0
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) 7888179 8992679 800642 0 4749455 2721092 474212 218067 9176906 7980337.5 502328 483922 4012854 5762217.5 484008 595310 1683394 422321 1114005 7656710.5 2067539 854882 0 2203116 785368 631471 2587490 6086833 1342907 494911.0313 2688489 3947215.75 1576665 866798 1710427 1067279 5402466 9297910 136756 320918 2725164 4880162 571701 17258060 1918929 687973 529436 487731 0 720905 965634 1365188 750424 401117 1815407 3273942.25 1226366 1734553 1539741 1791778 3934486 3514487.75 3704439 1023875 3344452 1047078.938 2726249 1206169
N1,N12-diacetylspermine 443258 2802213 0 0 215114 586176 10031151 2355558 1009168 1363985 1597783 0 159046 4570641 0 0 171951.9844 655073 0 0 10998448 2143164 538265 2604549 0 1447398 543727 265890 5363367 2179697 934499 1791710.125 145216 2826498 0 0 1787499 240249 0 0 0 0 8046977 12386275 339308 0 247115.9844 476075.0313 0 0 5841448 4221747 1110929 7762301 0 0 1001176 1209881 818897 6580048 945451.9375 6738496 0 0 18267352 15229345 808441.9375 645113
N1-Methyl-2-pyridone-5-carboxamide 3116437 1164694 314378 665949 1512793 1753426 966330 1344737 687427 1088598 469940 877666 347189 240440 676301 676788 684677 797203 279673 788810 4852194 4228516 785880 264188 0 807159 593441 469192 612820.0625 397341 816004 1213289 2861051 1332155 0 0 3719282 4608269.5 1312502 460366 0 139693 3627376 2152835 4962612 2555142 1869476 1659742 2882668 212954 1368691 1295338 438198 1068020 1575312 472973 1611094 3186281 0 59731 2580720 2352360 131088 0 0 0 822923 909175
N2,N5-diacetylornithine 1001755 2081673 0 159056 309265 609422 695042 629489 172749 486939.9688 428331 98702 452098 14246769 0 0 388282 482122 218437 188799 696568 1098153 239513 206605 134768 170274 1272976 461333 363354 566010 166590 123323.9922 0 1593732 0 0 666736 661070 2622990 941566 441344 2574648 258184 366220 186746 164772 0 182868 350219 2916693 1128285 628920 433758 7680684 293000 420483 3620198 280885 655585 596322 2188484 1270044 0 201457 994167 708841 354024 426191
N2-acetyllysine 1872477 391995 394827 654024 2348122 1322130 5645840 2017415 1250933 1843432 1947329.875 859405 2263806 2698074 243137 300356 1562810 958195.0625 2344877 3772306 3620085 6713719 1806785 1128674 1148387 1814528 10908094 6082450 2020168 1488618 2157581 3661369 3246882 3199137 698199 2005288 12944697 1852280 1169796 1561267 490820 496673 1174878 835443 2658375 945558.0625 4187082 400382 3431012 126562.9922 1700771 848678 2176080 2827540 1324887 352603 1990897 3373032 4296251 1018559 1817018 3369498 990356.0625 1080666 7021508 3140167 2904971 2095249
N6,N6,N6-trimethyllysine 34466984 7603110 1475621 1143945 4871626 6301464 3465929 2265648 15127371 13379800 2947361 2210361 2612433 3593343 395189 419452 1902153 2226587 4387267 6933922 38560696 107761432 7775980 1523985 1344894 3995911 13675596 12273818 23302420 3890659.75 9213175 5011069 10479948 9298891 677622 1009248.938 323977664 6133719 6973732 2966461 1182432 2037202 65059104 25054836 8398284 2148445 16665343 6844079 3445827 85262224 10996637 112325264 4834004 16953124 2419103 306361 10324382 34794956 7240717 8944499 2615101 10645509 2998466 2521877 87263592 169631104 6400357 21831386
N6-acetyllysine 1005598 204637 229195 284956 898618 263614 691056 370239 714814 663255 649828 328826 827047 597454 269474 185899 735289 307188 478709 1341874 707840.9375 569381 768262.9375 456515.0313 491797.9688 1293254 955496 701480 643391 476531 569348 650859.0625 630713 1051128 342712.9688 500900 554883 443293 872893 586576 164312 167171 1886503 1900330 653949.0625 446511 1353090.875 507393 550831 447371 464695 259532 557497 493863.0313 529280 157924 639168 1220895 557982 313426 538103 885212 439837 388808 749352 586170 1615785 1289042
N6-carboxyethyllysine 0 0 0 0 0 0 171615 438587 472235 734687 88512 135487 0 0 1922911 37710 0 0 249177 531001 1231963 1526838 2309090 1382920 110086 223979 68338 0 119947 63100 1413185 1157626 221698 168924 0 0 261923 359813 1230387 1055890 0 0 0 639291 548379 0 0 0 0 0 449244 284410 0 0 0 0 148903 228450 0 0 1341039 1058168 71189 0 262441 126459 817835 33588
N6-carboxymethyllysine 1589216 919294.0625 1594120.875 1605887.125 1553405 2380950 4209702 13949451 18117412 27278066 2267658 3286226.75 2121407 3105796 15693336 1480670 247471 693741 14432882 4766171 19026852 16439206 39584408 32669282 340439 4287859 2552313 1971611 2040289 1769170 26428608 22083222 4163099 5453621 686515 795930 28363990 16808204 22965266 23867226 554506 940582.9375 5746970 19129340 19519520 1459500.875 4715161 1557525 1071200 10977047 20672920 15702488 1706834 2333328 699412 343111 2854769 3729761 9271312 1462220 32713192 23297094 957325 694542 4744209 5059325 11961546 1312424
N6-formyllysine 1803578 1484932 1091098 653491 1671519 2246268 1601417 1958898 4907688 3963515 3004144 1266576 2184480 3199556.25 766603 1104215 1118837 1154643 1698573 6698239 5960597 1832842 2805006 2825502 920705 3379202 3024586 1511151 757241 1405284 3294035 2301120 2288461 3246601 492456 836408.9375 3367022 9262165 1760439 988820.0625 319717 424991 8159385 10287021 1672330 1063037 3801661 1323349 2347216 4746193 4447521 2938431 3363601 2235603 2343590 432619 3401580 4727447 2252025 1950518 1663189.875 3405501 558387 800782 1377960 2499091 10496949 12211427
N6-methyladenosine 1473791 327126 0 952807 2305472 758484 463607 750626 1354129 1375497 372604 1377572 845616 1113878 0 73394 654893 704233 383715 2347838 1416081 1041339.938 1313143 275169 0 4626003 2231984 2447426 625108 705176 978595 641387 6834066 4222234 670673 632309 541066 962866 1313742 670580 558882 1028421.938 448124 1370613 1100561 1370814 1913986 4284756 0 0 1118987 234617 1425191 267362 350473 0 2731866 3931430.75 1407473 539575 2345766 2277132 418008 408315 329391 448408 2651400 2296669
N-acetyl-1-methylhistidine* 975800 551333 948280 488154 428179 2453269 912454 258538.9844 1256510 935519 8031431.5 1131879 203724 470905 315567 0 909441 157378 0 1538397 18073824 1238356 1099591 579897 603950 388121 0 696372 1710613 901113 1703614 2072224.125 2647435 15542017 0 635999 4458972 0 1393341 523387 0 2842011 2652573 0 0 0 3940197 317596 131985 840760 1805632 1159613 439887 1069329 231400.9844 197612 913529 1224742 800577 385050 0 1181045 365708 599198 3724199 1979637 0 567843
N-acetyl-3-methylhistidine* 388102 709808 85711 0 849896 666561 0 111895 224069 127265 253197.9844 0 244479 1231133 0 0 0 433942 0 0 1357187 454571 254717 0 0 0 2666211 2149963 668869 304711 212878 1204772 4157840 7270231 0 0 928367 0 2639018 482537 731492 65366 261263.0156 2305009 529785 0 3767350 63647.0039 0 0 1091431 130833.0078 442302 614979 0 123309 690148 4368912 0 0 0 208861 651911 127001 4228717 0 0 96461
N-acetylalanine 718517 320520 322143 176463 381981 777393 793056 338909 412081 508795 609717 373412 994473.0625 983940.0625 0 132103 163041 135203 506253 635042 1327512.125 1488810 727492.9375 480201.0313 91494 736324 495192 417376 452257 698618 606472 754228 641214.9375 1086676 163467 181843 587378 448309 1217327 1865740 1350449 526295 907805 1204954 678259 364987 2282562 1557947 404828 1967619 831811.0625 1338582 975567 1236892 724246 844032 789481 821092.0625 442314 324247 653181 1000824 145458 181892 723747 529343 298847 211598
N-acetylarginine 5837638 638828 696696 1430359 6541631.5 2488723 4015487 4282597 1810340.875 3176285 1732171 6987467 4054430.25 4047009.75 197826 296945 3498288.25 2662445 1566634 2944727 1402384 5690501 11648568 3017268 4295516 10707930 10151381 7075557 2236052 1657474 3097042 2931279 5283517 3181449 2160592 3662334 1073915 1991266 8472048 11748472 2196163 2689418 3229055 5287245 9443368 5000238 8191048.5 1584517 1663633 3768723 721615 1108251 1868509.125 2407850 3957110 665073 12518694 14404894 2860820 1530057 1706349.875 2148289 1836688 1336315 1379698 943517 10510860 9416257
N-acetylasparagine 1982449 1236257 882974 418003 913251 1163782 3162097 2443012 2252703 2520749.25 1216183 2096596 2840933 2480649 1052956 576895 2097937 1045901 2221582 5259727 1494052 635419 5080588 2092692 711579 2673300 2225433 1335978 1163003 692820 1133839 2178595 5246507 4747500 2462691 3553011 3068511 5077339 2060119 1934918 1265286 4075242 2840275 3694563 2781752 1330797 7131288 5503280 2062453 2714317 2345801 2437263 1279051 1727332 1727890 478887 8257542 7440674 5043061 7857276 4176054 5127996 1189868 2743413 2346028 3091825 2419741 2962675
N-acetylaspartate (NAA) 20031920 1117090 4640031 14724721 4601182 158588704 38874908 1865030 224165 345295 9941894 7773697.5 823388.0625 5476597 5879500 2257303 1544171 9977840 60302936 52594340 586447 2017240 236256 377532 23762290 36537552 93973808 51884996 6615045 678387 45452404 16383919 114412848 11156242 81966832 129519888 552359 870940.9375 518684.0313 2805618 4246391 39765960 179372 453911.0313 258270.0156 594712 1362467 8188986 15797531 9246192 370671 0 808082 598937 1923143 2952131 2427472 1854370 9961840 5398373 31058374 52028604 27583542 37544544 145482000 50998516 0 0
N-acetyl-aspartyl-glutamate (NAAG) 48191 0 0 0 18075 0 0 0 17157 0 0 46730 0 0 0 0 0 0 0 32915 0 0 74063 0 0 24738 0 68625 120283.0078 81148 0 46882 0 66687 19756 42745 4643924 46380 391827.9688 0 0 0 0 37963 105379.0078 0 56889 21027 37151 0 126548 264700 68086 30186.002 0 0 92664 145857 0 0 5739792 53838 0 0 0 0 0 0
N-acetyl-beta-glucosaminylamine 4180420.25 569457 877844 652684 2245698 1132786 1528560 1653954 3514592 4038075.75 2500059 4085884 2046765.875 2209773 2336174 1741264 2501720 1875515 3693117 3226471 2465293 1073566 3571818 3171775 782626 4017046 1344653 781255 1171264 624615 2249288 3772276 3981710 3206330 1160644 779002 3050262 3831510 1422511 1067114 1587171 1719723 2115082 6059139 1345097 2404107 5108784 3065815 3397799 164179 6943530 3606745 1286096 5429364 2455247 1044748.063 2063436.125 2946651 2823266 919748 2088638 1641010 546363 741138 985357 1375604 2360212 1991280
N-acetyl-cadaverine 95028152 75097248 34728164 12505865 3005250 18845972 567932224 675701056 422446880 515345632 264201776 63665264 27306084 151357456 32680818 9275605 218839.0156 1774626 490171 22788076 414714560 43189288 26933612 21473248 469176 8244729 6087885 40231956 590352960 404648960 71420984 18870832 21263236 17882700 344498 617604 255261072 96941656 105698008 103527208 492056 651269 14630399 714466368 28899630 2046233 106066528 759164288 1873938944 16751494 29381546 42139396 17565928 35485144 29109376 18808988 80818048 64142772 98236104 45679692 208781248 148694512 1667320 1917263 753808768 673440896 90039368 43714444
N-acetylcitrulline 408153 94613 60152 0 288823 137346 195585 303761 448048 359511 289878 302673 325767 363412 170443.0156 0 559074 217704 170262 0 681347 470134 390422 74964.9922 304872 266359 334315 247310 189289.0156 172670 267278 642062 316083 629691 0 205801 443940 344962.0313 912980 818708 189043.0156 480502 276781 329234 218284 206478 309721 118101 1030833 0 367821 264547 313115 150372 153037 124693 315530 220769 257383 129403 0 174878 297564 640540 329845 395324 168266 234925.9844
N-acetylcysteine 0 0 257139.9844 349715 223966 175110 96225 0 0 0 304401 725648 84081 143031 210035 306200 225423.0156 0 381031 168987 274491 344373 133762 458361.9688 259838 276397 180834 259325.9844 322982 267534 260504 0 572913 0 314710 201238 63921.9961 95718 425867 338222 182132 304332 0 72851 56893 78943 0 668325 482914.9688 799211 134186 282395 96245 0 128035 54885 96612 164850 88320 179844 190080 229323.0156 216336 381349 216784 163313 0 0
N-acetylglucosamine 6-sulfate 0 1454526 0 0 0 0 0 0 0 0 122585.0078 0 127492 621248 0 0 0 0 0 0 111783.9922 85857 0 0 0 0 0 0 0 116868.0078 0 0 0 173264 0 0 53181.0039 0 0 0 0 0 0 0 166339 101008 0 0 0 1451981 100101 2142255 0 136983 0 0 0 0 0 289757 34945 0 121186 0 113549 169611 0 0
N-acetylglucosamine/N-acetylgalactosamine 100598032 92937184 26870334 19476828 54948204 43438072 52058116 51514768 31353492 48627248 85992328 56213956 58122048 108854736 11939528 10508061 29342792 10294456 23682904 58831244 89589104 41470456 43810260 64131368 10020564 33412076 27679356 38398660 112127360 96736568 37531112 113857560 26578976 62139852 22207380 23284302 70388728 46299888 13673258 9572012 29493270 119572824 69138128 79129096 74764432 88453920 66238588 42107112 18383506 262640304 91929184 138969584 130643960 271957120 42223004 14749712 64683048 85559512 45308112 42864024 47332680 51067912 23823828 31992612 116431808 128018552 63520172 48799388
N-acetylglucosaminylasparagine 1080757 0 675865 763563 519475 635529 410744.9688 1000857.063 935409 956395 401420 410168 411942 888373 289726 174287 576859 1688067.125 337467.9688 751524 568572 670821 318385 376522 514672 901493 383786 297497 897337 764082 144100 1139443 449467 407952 401877 247609 360478.9688 646562 560185 370056 436417 212092 724718.0625 1890391 395713 357063 1200598 1181773 496387 3054904 421730 1360753 916747 810143 348927 0 437103 646740 660762 390720.0313 499781 913379 80148 156680 76945 776240.9375 436337 488501.0313
N-acetylglutamate 87774800 19449800 11415657 32252304 128247592 58662028 51042008 52865208 49595068 75438856 22324604 35038628 75540368 73711472 5033541 4570735 86044256 55727948 50762116 55187624 22662872 25525092 37595336 24928548 31936562 83985784 98591424 64676908 62632512 61397436 37040984 41817320 89915800 95334200 84785120 92005056 59211156 39736448 85026392 29538854 153616656 87164728 24784510 31621412 45343008 57332380 41796928 53429952 84998440 11192781 45661092 21592718 38162612 25572060 32662714 10872929 79427728 114048888 51565536 27470356 45632256 42167512 48891024 82647424 36307200 32143618 717333 1037566
N-acetylglutamine 14493771 4521189 6741946 8097543 8719222 6653554 7215639 5010402 11245874 13335990 5676882 4197348 9926171 12489787 4293446 4184188.75 14545831 7364870 7449658 12858431 6213831 5758855 8265376.5 8858121 14406101 8018615 13943773 10944775 4759984 4870245 6083658 7414519 10448074 17184214 7308550 12430071 3164370 6390625 9091062 6252561 24166060 12975433 10893069 6419849 6803904 11897150 17740182 11190595 7132418 1103168 25267900 19691130 6812301 10078328 6899864 4656120 13630343 14016447 7130238 5549149 3725192 4311473 6845470 8149711 9075254 15577049 10285454 10072920
N-acetylglycine 287148 0 0 0 0 0 286492 0 0 224351 0 0 0 201596.9844 0 0 0 95896 118723.0078 304768.9688 0 147540 340340 0 165860.9844 181225 264636 191689 0 0 0 0 308289 332422 0 119504 273788 253806 160334 0 635321 231894 256443 391327 0 173112 369259 208470 154384 1222447 125597 0 314649.9688 568461 0 0 326492 457862 0 449177 0 252397 142045 0 563748 425846 259985 297570
N-acetylhistamine 1313944 2309926 10672377 17215208 46093264 20325004 26257700 31278326 9320659 22428464 47330560 24313764 18266112 65792976 12925879 22146920 0 1777872 3906922 20348432 36955528 13589991 27959288 50729200 0 0 39921852 32350358 16227347 0 12160040 13284638 2425985 65048124 0 0 11927449 8003479.5 9676652 6302186.5 0 0 2243869 57944680 22103704 874476 38137480 13906599 17654364 0 8197800 4745394 20519448 4869954 0 0 34303088 34177576 8055978.5 12453372 31032312 37325812 0 0 62082532 70686192 13454931 76464
N-acetylhistidine 2917240 1479580 1073545 1316644 4025079 1903371 2927662 2825853 2479173 2966051 880963 836868 3773074 3579754 287163 606567 2582888 1965034 1655709 2776241.75 1166815 1467895 934114 815618 4319809 3109251 5327873 2310812 2831745 1765744 2001258 2386277 3284378 5322636 745908 1595877 688003 3013916 1184263 1424238 1250063 934811 2335709 1090980 2789463 1823818 4434273 1114868 1192678 1773824 2184387 2510597 2039545 5073053 1415714 554222 3480977 4201450 1208152 441150 1154956 2622907 1768913 1396003 4050504 4482390 3031042 2056738
N-acetylisoleucine 359719 100017 243357 215461 258867 133415 519949 191456 156270.0156 633184 764667 217087 255802 497962 35857 58494 326963 100332 240158 358054 7176440 172557 441762 695080 119656 347859 228503 141602 251886 267292.0313 318133 259043 212700 231432 59105 128852 557862 217661 184986 150582 215672 295280 622468 1845278 328505 115220 2033861 197918 270147 179167 187716 1142942 324269 764592 300487 147855 401833 473379 175941 231240 198925 687823 0 87248 520996 619331 277292 343412
N-acetylleucine 610604 189600 313971 269683 436692 240880.9844 1061713 160749 319916 462881.0313 531227 292199 404475 370928 36691 58121 370559 145069 308546 318379 14839661 558958 328200 477875.9688 248161 331472 258583 153075 376240 478319 244626 485183 266472 374476 91704 234107 621188 443200.9688 342870 425780 287552 372040 1762722.875 3608083.25 320107 186328 3511102.75 831739.0625 240742 0 284539 1288984 302769 936653 393397 363336 646793 743882 410291.9688 342772 337628 557536 52452 137013 562391 996891 488488.9688 761825.0625
N-acetylmethionine 1724654 1019246 517221 495899 995590 950306 2569965 899756 1135092 1085845 750314 1073069 860139 815458 75494 105016 302178 372590 608545 2119638 8787015 1814265 1539225 642917 375571 1251519 852955 482538 664583 786300 911449 2036375 760560 1572801 533752 933959 10240513 1272551 1199327 834721 333070 286299 5663166 4475108 513386 447547 2538269 2382069 708466 1488374 2705542 7249873 1517718 2633483 178888 359113 581010 947441 417053 636375 1046029 1308038 261254 295617 2093813.875 2577446 1182914 492233
N-acetylmethionine sulfoxide 5407109 7744076 827382 779240 1718888 4306293 2810397 2281190 2178760 3231277 1152688 2603395 2310213 3783598 124052 409699 1873664 1344961 1139405 4628524 6322528 3687771 1140410 1662807 1055906 870661 3823655 2016597 1205704 753594.0625 914478 1051685 979933 5799292 1634987 1113345.875 13261167 4199098 1406195 1252753 2080000 1480909 18149604 7393960 1169270 1996930 5852244 3415668 368301 3198929 1480781 5272051 2304155 4852184 1500257 1124693 4236156 4454106 2008209 1453404 1464596 1936867 1866212 1458835 920824 4710731 1818250 1695219
N-acetylmuramate 9791202 2250657 757513 1522878 3245270 2040472 2929858 2582722 1389150 3809159 1241276 1133913 1939645 1967494 926651 528657 2342805 1655017 2488110 3015997 1335991 2101608 1168426 914305 258882.9844 4137537.25 2667783 2151308 4046127 3265121 1883255 3741247 1991984 4178393.25 1077863 2713656 947949 879799 687805 527045 1242861 1606012 2253196 2664399 526524 1204731 2172294 709582 1719907 70072 2937355 1678567 912277 1337784 938587 273183 7403769 11052871 1373796 1573323 567526 1103011 1428707 1162465 7534779 6729931 4168652.75 1639942
N-acetylneuraminate 26064512 13589149 2894541 2741425 12929372 6575731 3126072 4119555.75 8331070.5 9068007 26037804 6115374 21704384 48987584 575340 1053645 3745525 559457 7210519 15638874 10765592 8159499 7464202.5 10812059 1830594 6636490 3470980 8041628.5 14055251 22242784 2916509 19720508 3383588 21091286 2284298 2644185 6512001 3778848.25 0 795530 7766303.5 5118757 11079967 44121008 5727971 10902470 4697512 5004009 2695648 59611864 6589023 31516940 11054128 19237594 3743516 2957850 3341881 18426896 25807576 5214144 4894057 1958206 6946524 4714657 17490548 19265120 3591945 3366922
N-acetylphenylalanine 0 476466.9688 595391 555549 680538 670194 1650338 297585 358621 718213 946249 450889 478777.0313 428553 0 70555 1138002 852921 484916.9688 492974 7135502.5 807177 365534 238156.9844 684300 721234 340814 263098 880053.9375 2343327 543930 1561265 458544 525525 0 0 2337960 1019278.938 893443 1105110 875104 977585 3826455 7267502.5 693461 385103 1578175 1370208 708929 270024 405431.9688 2303148 718354 1624820 841144 1011776 634051 1700930.125 905466 954016 633663 763129 0 216264 953745.9375 913479 1806313 660355
N-acetylproline 7372023 5388668 9156648 8734021 8113595 6452228 9642242 5983991 5824074 13451806 4805468 7469345 11988148 12751608 6185867 2776089 6833111 7814381 3868349 5655456 5831873 5977663 9561483 4569275 5225012 7411045 14522796 13744658 9134102 4754849 4487839 6642214 15539021 9506388 6649601 8446673 16508917 3279517.25 7209955 19597930 16783160 6317585 8589484 39572820 21871774 7827729 65720328 8603366 103359568 10285121 27870920 29369740 7301542 13949141 4571996 15306522 9874762 26064982 8644526 16720627 8451972 42940076 6067879 8858286 8854957 8099781 8043388 9244600
N-acetylputrescine 2165750 25765646 1489483 858309 2739663 34086840 41727096 4236898 6700093 8817773 890532992 3256768 10776242 43070116 684511 620493 720592.0625 4368419 528004 4339895 764315520 271545472 1293486 96427880 377446 1595414 12835136 8535537 20922196 3840273 26456668 208972304 6464710 21258014 347997 626141 185224576 46125620 1638302 1419448 1015518 3060957 27737340 742637888 8085679 9029865 32691784 3748706 6133113 15961177 94657904 30030022 83272280 141764576 1610999.125 455246 7276917 9100626 2750482 21773486 600091200 861746304 2343153 843761 370578592 503781152 22580144 19980568
N-acetylpyrraline 0 51535 15901 0 0 215827.9844 104337 0 58831 22027 64004 0 125828 326577 0 0 0 0 0 102794 0 0 0 86190 0 0 121679 20875 57494 18932 0 0 69112 79048 0 0 26853 0 0 0 0 326974 0 53119.0039 60760 0 510000 0 0 0 15244 0 0 30591 0 0 134935 239503 98558 220051 0 0 0 0 380698 412185 44962 0
N-acetylserotonin 0 181606 0 0 0 0 0 0 214249 55848 228646 0 882185 2889543 0 0 118659 0 67603 0 167407 128740 0 0 201764 120870 326492 113664 0 0 0 0 0 0 0 189579 0 451694 173968 148840 0 163202 0 0 0 409431 0 0 0 0 0 0 0 0 1002227 264603 173898 0 0 0 262071.9844 0 214848 116284 0 0 0 0
N-acetylsphingosine 0 0 0 0 0 818379 88924 133204 44503 152912 575012 0 414946 808913 0 0 0 0 0 125600.0078 0 0 4422418 66547684 0 0 0 0 517605 132375 0 90028 601333 174641 0 0 2448314.25 351044 0 0 0 0 0 937503 99013 0 105030 72627 0 114637.0078 237570 138100 0 0 74606 342927 1112941 90877 702045 118489 1668568 1353669 109546 0 446034 2406152 0 0
N-acetyltaurine 100617 74735 85680 0 0 2320125 6249821 1215127 0 0 114898 0 28815 2628087 50744 0 571102 156662 0 0 9205432 19127424 13571075 10971143 148157 7570236 0 0 596950 0 0 109827 268833 906548 0 0 595937 0 15920306 0 137305 588441 644833 3343160 105679 0 0 0 0 377904 14978218 5783758 2861781 815153 13918845 0 0 102654 1118258 863776 8293640.5 8655532 74524 110202 0 2677223 30510.002 0
N-acetylthreonine 1367231 0 180463 0 1148568 518619 0 0 0 1793811 0 61360 300986 541647 0 0 377115 317422.0313 442481 680923 0 0 0 0 138790 384874 861411 299336 107668 462596 0 0 0 0 449183 507819 0 369167 0 0 1767325 1379301 0 0 0 0 1610158 0 305082.9688 5512313 0 0 615947 0 152987 0 0 1204885 232945 691388 0 0 275003 312965 0 0 436555 569642
N-acetyltryptophan 443232 300364 440520.0313 263354 287588 376866.0313 485209 346932 205097.0156 310060 428659 296640 228973 335878 429492.0313 369528.0313 367033 291660 485694.9688 331318 964172 654082 404856.0313 326618 447276 346758 425722 571324 771974 781102 185785.0156 426320 223007 264048 419423 489690 2317560 126826 492554 438431 215577.9844 847319.9375 2287202 1624705 281667 80006 596513 359101 204122.9844 134506 344449 712189 262752 441089 235279 372109 488718.9688 500104 249126 386387 1774392 569129 332964 405827 1021672.938 846659 243789 233409.9844
N-acetyltyrosine 581558 225434 263588 264855 527764 414163 2883143 727365 359489 550447 837146 286606 527795 329492 0 61128.0039 321593 191446 228645 687569 5074569 543229 660707 184180 326057 372175 508786.0313 270635 380230 592641 232956 727306 513492 904189 203788 295435 1328072 292572 1402557 1126227 411574 294668 1208497 1645278 316251 206499 818415 677717 599231 260907.9844 1524175 585928 430860 684775 395595 420242 364075 661026 458085 238401 2512011 874762 280125 208277 1732554 1752019 455984 312397
N-acetylvaline 396223 258461 710211 236460.0156 355537 243977 1668047 250808 211406.9844 395803 870748 202576 843268.9375 694375 0 165839 155108 135881 283353 343525 12118678 863291.0625 185481 418704 84701 321597 745593 180767 403606 350848 569629 870170 226907 540409 0 154960 846984.0625 278904 494538.9688 556063 163103 255438 593555 2721155 678728 259583.9844 1882508.125 592161 303187 649543 367974 1485645 317257 723989 520908 382750 394515 386411 400527 876425 773820 839291.0625 0 106346 1362544 1011750 341720 605097
N-alpha-acetylornithine 5815870 2078651 803087 3515244 6896191.5 8657238 12437640 8449579 3931131 2049582 9344965 4335922 15742770 11217785 148200 258678 4012448 2027583 11913958 10735996 36914568 8852484 3420754 7565190 245845 2465332 9494678 10680780 5016814 2984601.25 2061480 4706048 6204858 20897826 3018367 4239869 2861337 21749186 6676427.5 2217003 7586016 6028764 10177279 3783741.75 1614831.125 4446863 2105292 2391670 3185082 467752.0313 2231856 4889404 3256506 11008191 4985919 924209 9235792 7503787 7401164 3081448.25 3718502.75 1490462 8273129 7035025 10486274 23854462 4648429 5878809
naringenin 0 56120 27582 0 0 0 508159 1846348 0 0 0 0 0 0 294519 25360 0 44684 0 41105 70318 0 0 0 0 1119414 0 3974787 42998 0 0 76864 0 110250 0 48339 59837 52001 41706 569338 0 71214 502171 277083 575899 142994 0 19231 0 0 581300 455673 165920 70210 61533 47352 0 434030.0313 0 0 56085 0 0 0 0 227573 864958.9375 99406
narirutin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 66848 0 175026 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 733044 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
N-behenoyl-sphingadienine (d18:2/22:0)* 778543 0 248849 0 325313 0 274462 311694 1422838 1121699 622178 0 484435 1348696 404676 454926 0 0 245244 1585477 886079.0625 643332 694372 2765877 0 0 0 2227453 621807 100306 325778 944789.0625 0 776189 0 0 1795683 2123215 0 0 52718 0 1884538.875 3391237 0 0 884194 937811 0 1312738 223688 0 2859214 692791 0 511958.0313 960928 880892 0 460127 1029702 836174 0 0 1727671 2178764 736976 2379800
N-carbamoylalanine 335382 87669 237136 310552 306518 249293 276850 303064 582916 289553 0 314120 183092 371578 119055 650864 290326 404139 140060 437998 365774 0 863241 580589 823812 230784 179065 68791 135459 271035 626470 371542 460036 494889 0 0 88832 462930 482020 0 0 101533 0 0 543714 100788 650277 324430 338229 0 245924 95080 251505 0 413741.0313 201069 93847 93006 375028 186558 70182 67412 0 0 0 148972 732421 840743
N-carbamoylaspartate 1348444 95050 597413 385897.0313 960638 2135395 348490.0313 160736 301374 849384 1852125.875 4205905 2503362 752759 276824 1488128 1375847 944905 2991730 2275624 482869 763435 3115831 443281.9688 520028 1186503 7307351 3631665 3678788 3470110 1195794 3776025 2787425 556135 6925078 3890591 718724 1238946 1617711 696732 1415278.875 1406824.875 160330 2299475 87992 219563 1148751 1440135 307056 1329727.125 415701 316161 1724521 1641846 1072457 276498 1170152 4696633 6250512 2937726 1150144 2287847 611826 1688473 1550083 864928 0 0
N-carbamoylglutamate 162848 0 0 0 190069 0 120134 77707 157695 140483 0 759576 0 170929 0 0 219747 0 70936 72036 0 0 118181.9922 0 165820 341938 269302 210790.0156 124904.9922 61612 0 69076 262318 238673 302878 355278 219680 110029 897594.9375 779066 153105 271366 0 62271.9961 207845 247898 199560 274401 641447 160659 0 213914.0156 0 0 127612.9922 36225 273532 363759 152055 0 223253 0 36731 88405 0 0 0 0
N-carbamoylsarcosine 224029 0 131189 59996 715328 490922 0 0 70585 139589 0 534352 0 53954 102238 0 147113 75084 204831 344934 0 209840 120562.0078 96628 1510830 230758 110017 67356 261766 198219 333895 87399 444226 275525 0 0 0 0 0 62380 650804 187267 0 101724 0 62618 115001 73674 0 0 0 0 0 0 96975 134620 208229 271568 86202 0 0 0 87308 68934 115258 50145 100426 147249
N-delta-acetylornithine 898080 425258 188233 338250 957366 2010442 3396762 1630504.125 330641 1447686 5285043 1281217 2203208 3701355 0 0 1127791 654385.9375 359264.9688 1291406 5926041 4006689 676415 679568 3850644 1350244 1735513 1138962 2029741 2267840 162960 987373 1599249 4584543 137220 238556 3311503 1113656 1602190 1337412 303199 182610 1503740 1460510 3130815 1665891 837000 519360 201303 0 394147 469721 2268022 3607565 471863 91556 2202021 1605361 856631 1289805 881843 620929.9375 548603 448703 2434222.75 3273547.75 3131882 1394883
neoponcirin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 135020 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 272580 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
nervonate (24:1n9)* 2590197 318645 597586 0 0 0 0 181678 435341 91563 2793174 1909141 247807.0156 198872 0 0 0 0 0 278130 0 0 1687257.875 1120832 334861 0 0 0 0 0 0 477365 234667.9844 15266889 1262581 1749005 204334 0 373825 0 2238147 4924074 0 3122075 3199909 0 6447572 0 0 0 132891 111955 879348.0625 0 0 0 0 11102856 0 0 790291 0 105175.0078 49899 2684035 0 5807557 1914960
nervonoylcarnitine (C24:1)* 273462 0 480703 971398 229794 244039 136683 0 682915 311155 369972 317453 105527 95589 105667 0 71942 0 442485 0 191145 98667 207271.9844 524638 241252 166101 156640 245180 1312428 922177 362728 348201 0 159016 388279 703986 0 192631 218613 176634 193235 119315 0 109524 0 0 1164798 943348 0 0 0 0 0 0 0 0 285345 174783 140854 0 493209 134474 0 126573 0 0 57654 245874
N-formylanthranilic acid 414969 254356 427906 357384 191780 289779 141968 102713 182569 236384.0156 879945 803536 181711 610114 519885.9688 295189 115587 260639 671108 411376 403779 509010 870463 1431725 202297 258252.9844 366250 580922 341179 208804 724541 900637 371955 968577.0625 59761 110236 252316 153464 213880 416328 88810 642325 96219 726350 678818 247958.9844 529005 418747 261948 0 142824 0 286522 898663 1123235 295900 438314 619671 1025289.938 581807 604671 425127 123563 281915 1603299 540661 96028 144219
N-formylmethionine 1070985 270544 343053 384480 778726 806044 2275923 665648 1545370 1371407 1741781.875 672153 1336998 1327134 209501 115720 215339.9844 330459 671965 1110544 2130395 1020620 869945.9375 429806.0313 52453.0039 441114.0313 625880 360828 389302 389291 488458.9688 1505586 801432 1445203 154630 353289 3485900.25 1560092 1115137 552940 178921 269066 1894450 3987343 894250 528851 2344375 2028513.875 680348 312468 4517730 4265678 3348050.75 2708994 279636 189963 884879.9375 702529 617302 664187 1873055 2910216 165953 254670 658590 1596640 1173420 714257
N-formylphenylalanine 1025199 457991 445561.0313 425892 1299772.125 519251 515924 437128 651562 782306 433789 720472 830308 733535.0625 285252 261201.9844 554133 442548 590469 913314 393745 348922 388529 334740 240568.0156 483594.9688 441174 398841 469893.0313 580627 430667 665297 608925 681905.9375 687541 1123800 720591.0625 1103396 400133 590304 626697 866422 558897 1663963 1030277 649418 927268 749766 1253106 297350 700291 722296.0625 950987 627433 1531819 531823 1524160.875 1226212 612625 646263 676830.9375 1071675 421303 773017 262095 676585 1395105 2140946
N-glycolylneuraminate 111430 32857 0 0 0 0 0 95990 79391 236986 0 0 170560 69210 0 0 112669 0 0 0 0 0 0 0 266800 0 0 0 0 0 0 0 0 48133 0 0 0 0 95453.9922 0 0 0 0 0 0 0 152258.9844 85600 1546807 804211.0625 398605 314878 0 0 0 0 0 0 0 0 48611 121563 0 0 0 74220 45564 69711
nicotianamine 6436929 8057290 0 0 2468201 2358181 9716653 6883145 9341463 26436616 9362647 2719824.25 2082326 1398964.875 306324 1291542 490247 480164 365809 2578378 6309217 1376166 715107 502797 0 202920 2025627 100769 0 0 468837 2293335 230979 1766280 0 864693 1530079 2184282 6342732 2052371 990489 483959 4836845 2281028 21291964 13181519 3067091 3108886 654340.9375 3243083 1554927 12532894 1197485 5430769.5 1811061 393255 0 3586262 646938 5646130 6731036 3319521.75 2276974 1210028 15344791 11278108 772519 482516
nicotinamide 3149889.75 6213539.5 1396856 1691386 1318619 1409425 775792 639249 1033577 1036079 1225976 1119283 754143 1804774 454795 614023 851952 5454380 1495082 1162138 11847820 3625462 915095 1269522 1061045 992073 1634611 1386228 2138125 2024667 867939 802146 2537855 3152238 797681 842487 871645 416663 1323783 1432653 2548059 1409201 471821 833726 1373806 1968967 1265083 1404476 1131343 874727 655289 4987333 923631 747230.0625 1032292 713909 1409486 1887493 2042124 5490708 685811 755573 2273021 1891180 1340572 2429143 1057554 1347652
nicotinamide riboside 5416163 2203528 1404648 2889692 5132841 5490919 159352 0 1391975 3333389 4909754 1643541.125 6520016 6393753 622986 848271 1528506 1122403 3104567 4528577 813137 193208 1113364 2126264 341282 1612753 11620997 6863415 4338470 3229872 1053589 2739034 5830548 12701554 703322 1185161 4246018 3864820 4622831 4250467 743231 1822864 104809 526926 1760062 3669300 3680906.25 1877606 0 4167103.25 869677 1008695 5571154 7181826.5 1401128 574765 5025785 5771932 7152173 2016906 309723 0 2877530 1598423 2049851.125 4750617 5288879 2838529
nicotinate 294921536 131737792 70499720 72702832 361643360 412625184 285820928 223702400 248708368 382109280 187601600 114699568 391805696 402184416 18279384 32420700 86416632 100957824 97335280 215597456 188231520 148749744 149037536 179710368 31102740 124538152 408662624 296563712 245994496 254880224 244459008 301816320 291251104 524356448 70392552 117953976 236453888 276927776 99358400 129416056 150056800 95876856 281062752 336795648 358571136 262786000 313524416 229693568 99237048 2102856 325874720 163803072 288421760 371862144 126394312 33221202 473909312 561443264 321115584 232034496 111321632 212791952 80712448 73947368 568176384 329438336 230267840 148911184
nicotinate ribonucleoside 5865675 63289796 665799 3136487 2860743 65265284 39673308 6451340.5 34646736 15749615 69116440 4575836 28703746 28282346 1998939 2062794 1225983 25963816 686062 3585080 117272256 29340258 10672177 2724363 550043 2010844 51875436 25837004 4639814 2553233 11665240 8190987 11725669 27060278 2117282 2430640 47858672 65249828 20663448 31346728 3898143 2990068 45322452 9496011 51660500 65984192 1408085 9640318 3843792 31229636 57572388 162316336 24337544 41639328 6156952 4634542 74266768 49128800 3732082 35066408 73145848 55291772 3442725 3259345 134158504 206027760 2702350 2301708
nicotinic acid mononucleotide (NaMN) 0 0 0 0 0 1387736 0 0 0 0 1121356 120261 1880772.875 3837290.75 0 0 0 3547538 0 0 218808.9844 0 447006 0 0 0 0 131327 0 0 0 0 636821 1102939 0 0 0 0 0 0 0 0 129605 0 5100510 3855245 0 0 0 0 0 126009.0078 0 0 36178 0 427677 470484.9688 123278 747097 62396 0 78547 0 1182452 385862 0 0
N-methylalanine 1826761 1016996 1464164 4474137 2484320 1786175 1642004 779564 2096533.875 2067800.125 1829723 2499678 1642426 1116927 211826 361538 347204 981996.9375 798111 1744909 2253891 1572818 2928542 4940959 361318 1177030 1165979 1859772.125 2708651 6850096.5 3123755 2909890 3022777 2599521 994357 1215077 1039751.938 994172 2714893 3089404 5313130 1516374 339904 1270148 2432679 1808934 2314918 3079710 3520982 0 2347709 1253173 1686797 643880 4425091 192222 1364845 3153222 1898635.125 1204303 1533917 1574794 356415 780796 2319926 1113153 3300333 3553566.25
N-methyl-GABA 6059814 2585715 4545226 3376634 8246850 5048447 5088042 1284368 6452535 12554472 4036794 9944218 1348190 824171 4837776 2204396 2848058 3810404 16687362 1641073 2223987 1880501 0 5452434.5 0 5578371 3113221 3701371 27009808 33818728 6456182 36709140 4653566 4522311.5 3441710 0 2328512 1800293 1019172 1540498 4384787 7806224 1743873 11010669 8833718 3848290 7354819 30410578 4817092 0 3004833 0 2827919 2054355 2062749 0 3890591 6397824 6246901 5305910 130009448 13693006 2393754 3081706 4344980 2636583 12486695 71537168
N-methylglutamate 2774729 1167595 1425701 1739535 2638788 3467790 2370039 1428304 603302 1642468 1066102 2341269 2819899 2599136 2190086 3460843 1883149 1034739 1704082 1287879 979572 1062525 420242 1692518 3132399 1865161 2951865 3139317 3107855 3106608 1481237 2319540 2469588 5116613 2633037 1785922 0 1046891.938 2619397 2425543 761948 1260252 1278208 1017789 4251170 7774419.5 1688323 2602115 889603 475800 1068694 0 563500 2414450 0 1286635 5369330 9478396 2280506 1499994 1351192 894975 1228474 2399499 4277016 1068259 2194899 2020953
N-methylhydantoin 0 0 0 0 0 68910 65396 29849.002 0 68365 153114 0 0 83418 0 0 0 0 0 0 0 0 112534.9922 0 0 0 0 0 291166 0 289583 511126.9688 69666 0 0 0 0 0 199032 0 0 212298 290391 982143.9375 0 0 0 0 0 0 52777 341942 0 0 0 0 0 36226 0 25794 0 165723 0 0 521306 238967.0156 0 0
N-methylleucine 1305207 0 998020 0 1423802 386658.0313 927752 1399788.875 2181486 2021688 606854 1528161.125 0 1462276 580623 11161174 608977 1282357 2078868 1858909 0 1118855 344671 0 362222.9688 1283058 762299 1046023 969260 640374 0 1036435 1582287 0 0 0 0 1581086.125 400455 3719653 1388388 4718698 0 3443612 6895947 6662775 2774475 2586079 1029334 693799 1746533 0 0 1087804 2262094 1073645 1025636 986909.9375 1434874.875 669432 636741 0 0 0 0 0 618421 418207
N-methylphenylalanine 252279 0 933591 1363172 1775133.125 0 771794 371826 0 662065 0 796654 1482592 975700.9375 1054848 1627443 4181562 1851078.125 4913958 574205 192645 0 464126 187741 533693 1442785 338658 286216 390273 687978 565867 645448 2594527 2830831 0 926728.9375 90705 183875 549959 6030984 1370092 709543 224997.0156 413823 1231407 3365430 720692 402016 146776 0 108434 0 297901 80180 5859840 7487285.5 2256830 2213418 1477042 865855 704220 836111 94603 247343 0 0 3595888 6015823
N-methylpipecolate 9745982 8471561 6437517 6973962 11782111 13700528 1451203 1114282 6500437 12519891 1784843 3781686 4577132 9317718 15566750 8242207.5 17142944 6203323.5 8646789 2673285 8996857 16813508 2185962 2619854 22043956 8969704 2344911 1748098 6737843 13786287 1450508 3173015 1823632 1982364.875 17703804 14378410 3656482 3014918 10299851 17036540 10379671 15298658 1927688.875 3425342 11210836 9119080 4964619.5 14422966 4076028 2152137 512932.9688 473244 8593584 1148519 4167290 23412820 4345344 4347816 24819996 14482029 1317975 1119767 9367617 11025957 1221824 2259236 4421652 7985195.5
N-methylproline 113546928 88901736 186231104 152653728 69615728 9847038 63274840 26304628 66711512 339200096 53084136 87532032 139573408 121102744 116355424 71208688 547253 8765667 281348704 43607244 65132940 52686460 93288320 99508408 12813026 214421232 5288267 396682752 32310646 35070896 294089120 1570175232 144369744 97087952 226236592 66433440 4893485 13696221 156966688 116824760 587297 5309800 956250 14482478 191666816 11543815 245976496 338811008 58068880 360196 8066948 1636836 36295632 335560448 120835232 80543064 48116300 37342468 6635982 8125337 237468720 73565120 132322688 1880735 9570346 10482222 74715864 53299308
N-methyltaurine 119776 0 0 0 139334 182004 0 266408 71616 198273 0 0 0 0 0 90203 0 0 518141 87688 0 177358 0 0 1844281.875 1102906 585395 133077 0 0 163527 0 165989 78896 0 0 0 0 0 0 96700 544761 0 0 241537 0 51160 63800 0 0 0 0 0 0 2526581 439645 181038 71060 0 0 0 584288 0 0 0 0 0 0
N-methyltryptophan 208673 313168 84621 0 181026 0 0 100742 0 204151.0156 99298 257069.0156 0 0 0 105094.9922 242754 0 0 0 0 0 0 0 2502423 134273 0 0 0 0 0 0 0 0 290804 0 0 0 0 219790 1661804 941522 0 0 0 0 0 124435.9922 123294 0 0 0 0 0 345636 389838 114713 193035 394501 0 0 0 103103 92790 0 0 0 470894.9688
N-monomethylarginine 281865 399301 0 0 355086 173865 307765 762042 4842980 535846 787386 0 323132 875035.9375 0 155850 0 0 0 1146946 2228410 996355.0625 0 0 0 193498 1133129 471594.0313 312292 409637.0313 163856 0 375493 2938004 0 0 1923376 661964 0 0 0 0 4625935 1447218 0 0 395111 0 0 1723031.125 1478007 4354457 0 1783502 0 0 1262522 0 218835 0 0 329080 400013 0 957672 1996941 683371 971535.9375
nonadecanoate (19:0) 5462368 6951003 15705066 15348593 13414874 15803626 5244309 6127458 4156351 2679466 3336417 11568519 35504168 6729030.5 10885736 12148422 722476 642005 13803344 19456850 1075589 600785 17386846 31864344 746421 5848451 1249747 4357489 6387608.5 17263668 9320652 14833508 49314016 50903152 36116128 39071944 23588876 2734196 5138830 13658536 37503204 54447576 956875 66346328 6682632 12883693 2632638 21574436 8630562 3132200 6540674 3321146 20068408 3463047 2543455 11754131 36115616 8128224 12331562 787975 13937914 19795776 9508478 24084384 676772 49526264 10498894 16845764
norvaline 6839808 1937771 1513180 2143516 3266960 4607490 12588965 4487206 2414610 0 64048508 4941694 4700964 4087629 3426380 1344392 2695242.75 2352629 16221242 4767909 157224608 12863268 5863345 2130767 2842762 0 4046520 3444435 4677250 1879445 28587234 13317237 3484592 5198525 2728635 1172843 5196895 6849460 2963478 0 1579234 2369237 29057528 182853504 3864573 3859233 160179312 2771614 4007642 0 18970476 29449304 5075075 24225720 3145553 2029132 3399484 5843674 13262082 3790056.75 6018141 7561439 1700419 3301082 14600219 24060788 3011279 6577008
N-palmitoylglycine 248689.9844 0 5762064 1677812.125 93403 1117509 296287 167768 322530 111508 388914.0313 2109435 515033 107205.0078 1008495 472087 98338 0 694653 682732 240352 252725 1746378 5009579 0 106412 0 219593.0156 619440 897460 286369 337150 424392 882305 1525853 1548938.125 1061436 967046.0625 374526.0313 1389828.875 1031093 643194 0 0 1020954 1842615 134504 874110.0625 1903118 359442 753384 289121 1884059 410785 256114 1116071 430778 449286 251419 28704.998 1991561 907400.0625 133829 228889 56744 728269.9375 659065.9375 1027233.063
N-palmitoylserine 297335 333895 8626654 817068 847476 4366535 1465860 890300 1002009 397106 3011696 3629078 855051 979827 564957 826904 62455 92809 2625761 797295 632259 335027 1320426 19862232 0 1632824 0 377526 2450852 3097562 1369350 610307 420066 844017 0 0 7462372 1028296 452752 829147 1377012 527654 143389 9477668 1177656 1736047 133902 842807 652794 0 8054712 4742640 13262276 3013170 238056 0 1543371 1027572 217741 113967 2867459 1226522 343932 290486 1049875 3680221 676155 369978
N-palmitoyl-sphinganine (d18:0/16:0) 10305079 7918023 52909132 41593324 7017821 28896604 7801240 8106294 32807032 36584532 18854636 8102894.5 16334337 32001460 22431560 34736640 5137199 1636058 15868267 38726060 93813032 52888120 48819128 75913896 3374691 11861761 16235785 36916344 17404752 10410570 18287080 25664552 7274717 15489563 5568705 2853198 23378044 20101370 4186020.75 3841090.25 6113078 7903866 18906110 31363170 11431984 12697540 16221647 32332112 8714438 18759414 19232008 15358455 34876728 13882877 22610282 34813312 13123158 18435380 13402662 6159663 18560292 22133588 10684452 8660085 63564724 29241890 11852381 6549359
N-palmitoyl-sphingosine (d18:1/16:0) 24529156 18431628 14216583 6927588.5 10045707 49607704 15732145 14090559 56964768 81795912 36242480 7243816.5 61123068 119475432 16192609 17571318 4080290.75 1838786 20285892 106684104 99621536 50986992 83010008 81796952 4563842 8056281 17331948 45099928 24508968 7634045.5 34209076 51820796 12697153 31509822 5738139 5595246 65383432 46826248 4092575 3442532.75 10157063 7900724.5 52821968 137010448 27201140 10206345 28385474 21712934 4977894 70077064 13567080 12342375 83664080 25938742 19915632 28551792 10327921 34320964 19467746 10513600 38019936 37478712 24026368 16056495 89833064 49942592 20625062 22377862
N-palmitoyltaurine 0 0 0 0 0 878887 948066 267561 0 0 0 0 0 174429 0 0 0 0 0 0 156504 491944.9688 5267258 9802222 0 246016 0 0 0 0 0 0 0 0 0 0 0 0 817511 0 0 0 0 5350184 0 0 0 0 0 0 476311 0 0 0 0 0 0 0 369749 0 1697094 644239 0 0 0 0 0 0
N-propionylalanine 0 0 275863 0 0 59424 396836 154078 204631 185870 271290 0 266662 427665 0 0 0 0 132482 0 307127 458446 161539 288642 0 141029 250520 172994 121052.0078 75920 275670 379278 92786 150060 0 0 140085 190627 982402.9375 350411 0 108662 0 511426.0313 214935 77168 1099241 382110 110449 0 281267 301370 369897 175474 258446 158452 371693 211915 0 51470 567712 609854 0 0 530835 354868 150525 0
N-propionylmethionine 120230 0 156879.9844 101405 0 59024 669584 0 193798.9844 203241.0156 298425 159988 0 168697 0 0 0 0 141027 660556 2282835 614856 289610 706257.9375 0 65563 108090 0 0 0 238790 570973 0 108211 0 0 1021879 730041 151420 101640 0 0 172360 1557001.125 0 0 552117 308700 0 0 789470 2512476 413130.0313 163653 0 264477 112419 200122 0 0 691083 197606 0 0 753533 825302 478288.0313 0
N-stearoyl-sphinganine (d18:0/18:0)* 5781749 2235360 25700976 32360072 1536762 4110206.75 1520694 782500 7305247 11654663 4526140 4548557 5635284 7465123 10613852 14035605 2940218 453593 13930999 21107062 7223147 4580456 9875417 11552868 1498659 2994000 13058844 25244316 6056034 5092623 7442006 6873511 3705660 9928277 4568109 1198093.875 5325733 4557768 1221072 2128870 2850907 1000132 767929 5753032 2374737 2214185 2364511 3775795 1550369 4774230 3946652.25 4358858 4680363 1209423 17504552 33015532 12517482 13775249 6347452.5 2237417 4504388 3682279 4294797 1239208 6956720 4874528 2217622 1072441
N-stearoyl-sphingosine (d18:1/18:0)* 13577324 9211464 4827184 2414840 3742903 10507554 5887361 2554643 22078916 28081252 8095172 3396208 14693936 22431344 6522453 7562688 368274 537543 10434145 55966432 15965766 6730293 42935092 16579111 650157 2284837 10663716 25758764 14747760 4113901 30717914 20410556 10361525 26499604 1100288 1581577 32468794 21103068 684348 988750 7325638 735960 3501583 63824372 9432971 1720409 24050080 5429972 759948 13239547 5256351 5435414 14670605 3741998.25 13112265 17823796 9388804 24221152 12733161 3390249 20866028 7288225 6866736 1421393 10919404 13828855 4661219 4009827
N-stearoyltaurine 0 0 0 0 0 140424 180417 0 0 0 0 0 472250.0313 64081.9961 0 0 0 0 0 0 0 0 1381763 1284581 0 120752 0 0 0 0 0 0 0 251831.0156 0 0 0 0 217118 0 0 0 0 1105628 0 0 0 0 0 0 51919 0 0 0 378202 0 0 0 176833 0 373461 0 0 0 0 0 0 0
N-trimethyl 5-aminovalerate 700740416 476287200 736701504 597472000 622380736 448490144 500585600 272914368 414560608 533854848 547525056 994405824 281950944 651700992 723458816 608496000 363197696 184151360 853442304 775641280 754453312 1400415872 896940224 725692928 275046080 748115648 182841008 228472560 687859392 606854272 575585856 509058784 1170552192 1002883136 390567616 545790272 164641440 236987744 233876272 418355392 242178992 69894184 149312832 929965440 906917248 297558048 1211734016 1379684992 793114240 9489980 426402688 70777992 332769344 404814592 230234912 54421848 1226888832 953721344 617756224 451443008 560861376 829139008 64166148 94928912 293099488 171834080 419371360 876545792
O-acetylhomoserine 7749010 3933821.75 1849258 1965006 6329562 6309837 16575249 6381868 7922835.5 8674333 5373841 1179730 4688426 5008197 1890915.875 589058 3725289 2760360 2954809 4932102 52073924 5376406 63768164 12790855 2708411 3136343 6946087.5 3217919 4408908 2169194 1770306 18719078 21797082 19763040 1886966 4150983 15572622 4835768 8537460 2689240 12220893 2440976 9954328 16999264 31987128 15082113 12473895 5637690 3878790 16859316 9368206 3748058.25 8134165 18955020 3448735 1247160 6836532 10530837 2578941 7966060 10350122 16184224 2306645 1959283 13361695 13061324 5314717 5130073
OAHSA (18:1/OH-18:0) 2118327 7372558 792188 5040692 247972 568848 724895.9375 872883 2061741 1489642 0 686329 5874562 1335130 2389093 1597850 4476287 2213991 6641161 24141536 19728652 14648075 1381140.875 834396 863923 3639892.25 1965199 3626181 0 914494 14254092 15241380 8389335 37267756 678159 0 4424101 2099697 355622.0313 4557279 7970209.5 5078315 5724876 7354701.5 12404531 5948896 1524796.875 4432647 587159 0 1638184 691353 8218718 26210916 3640604 12313562 3266661 2688548 2759867 680404 1419118.875 10510080 1172104 4403843 4630912 5373480 178096 311697
octadecanedioate (C18-DC) 3107583.75 322471 0 1313944 0 0 172697 473381 1033378.938 1701917.125 0 0 2289198 1848959 0 0 7656903.5 1918564.875 2023406 5680315 0 0 0 385485 10504114 8424467 0 921533 2286220 1370385 857738 218173 2589813 1438393 3642589 5896143 0 0 614900 2171603 0 4303464 752488.0625 0 579843 279387 0 0 0 45362 0 0 0 0 0 3354748 1290601 267709 3633871 1102020 407952 0 868021 3414288.25 0 0 0 0
o-hydroxyatorvastatin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 670515 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1798120 826721 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
oleanolate 3648860.25 77024488 3320627 667124 396234 0 151449 40942752 6943941 467907.9688 357218 17729828 29535636 201876 433260 303590 2668089 8115806.5 12343730 3584827 0 2352956 6837802 0 6567496 12391285 1154189 0 460115.0313 900152.0625 551749 66729 1157380 16244594 0 896654 2404569 0 32507892 51298992 22045600 19591368 0 72851856 2776588 1114101 4075858 10631610 9706495 0 270005 0 10408661 0 5188326 12456064 3422251 976290.9375 2057728.875 0 0 859399 17185352 65251992 0 0 561698 3297620
oleate/vaccenate (18:1) 4361574400 14643061760 4409225216 3951450880 6799735808 6331820544 3939496448 6484662784 5651290112 2444549376 957527936 10381586432 16149926912 1857368320 9458113536 12493309952 1267076224 2900895488 3234437888 8715632640 2043932800 638506560 7159477248 7009799680 820229440 10667897856 1580970240 1443411456 749893056 1895848704 9325480960 8152608768 6900064256 8858936320 4395068416 2676352768 10077256704 3011419648 1624035072 6938145792 10231010304 11008562176 3216833024 0 16805173248 22044923904 2202857984 9278814208 7069220352 575678784 3345625600 1753695872 10859419648 12018495488 8047653376 13984023552 11065374720 4185542400 5736809984 1528937728 8098344960 10971574272 3038241280 8851906560 718695424 9078508544 5278829056 5413049344
oleoyl ethanolamide 4005448 5100865 27726530 15717302 3306266.75 51024108 12214605 15713888 29612750 8356694 9253758 2903371 4047216 15214846 5431018 4450151 0 3238812 271090 1329392 326629632 230603296 183979184 141259312 185835 5416129 3864771 3096780 3161430 4231412 8486561 15709228 1194240 2466409 0 1484835.875 187267712 230515968 2318778 2804163 1664139 0 17483240 28401154 26041822 1459356 12735509 4474303 31240904 12224369 37809308 22537972 31909336 30870192 5900282 5933101.5 1496265.125 5689526 2276643 8770623 43368964 34428040 181516 275019 10389610 10369322 2372111 544149
oleoylcarnitine (C18:1) 1991700 710395 14723182 14617443 1350079 6369537 1209706 456456 13075024 4522744 1511611 0 1279480 7920466 0 1931442 0 0 0 808871 37599656 16520105 5442016 21191526 0 199672 3067269 693267 699936 0 24644988 27879862 315388 2578935 249346 236466 31161532 33964276 593894 3600217 3317177 0 9125662 15549680 12513780 406307 11780199 5897391 323956 8580987 16869128 11036168 14205878 14942484 0 0 0 1276315 2093606 4581584 2200084 8748601 0 0 4446104 3846867 923410 504617
oleoylcholine 0 0 0 0 0 0 999430 0 786524 0 0 0 0 0 0 0 0 326758 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 531671 97269 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]* 0 116067904 0 0 9965178 0 1755702 20185948 0 15887955 0 7792969 0 0 17560472 0 0 21154310 9515150 19520468 0 6209362 10781055 548488 0 0 0 0 0 0 0 3306615 0 1919786.125 0 0 2617297 0 0 36296976 0 0 0 0 57257164 44881036 804650.9375 0 0 0 924365 0 0 0 16773590 5687287.5 22914048 0 0 125265120 968892.0625 0 7278664.5 0 6404300.5 11466086 625914 559637
oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 9265019 246648864 2597904 1530518 13444742 2770462 54221772 91508032 33162560 18194288 5072354 37174900 170719008 7404075 22861556 29476236 970140 260477584 5194871 26444606 24300376 18463238 53488380 5671860 7065823 79276248 23799498 15756345 928346 3367629 67968832 32000356 2244893 2067892 1526318 1319207 14187223 13920930 20986592 16254797 3664962 586184 952399616 96580064 260501872 271144096 1942653 38400796 14769786 1686473 4254142 1746537 19407374 443826464 16851780 2982002 11489786 3517841 61797472 107768992 7876682 13629137 24093228 7943914 7719187 9767822 3545753 5081066
oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 32352120 447710016 7564747 5892053 37046988 12322395 143354528 202546768 70286048 57767948 44628912 84510840 310029888 49298588 47213604 49514096 2913752 439887264 30894800 51337184 73195824 56794868 139121728 12428921 11951650 275960928 104076040 46528764 4126666.75 14969868 139245488 68765632 8736258 7770494 3507009 10447434 34671584 34360680 88139880 56112800 10380666 1581659.875 1348542080 136928864 465641824 428053792 8054381.5 122167120 26757844 12614164 19484008 11951134 51382896 746123968 29030424 5427706 36989872 11624627 122276056 276398048 21097684 28964824 118277424 27798492 35172880 26124976 4916401 6427075
oleoyl-oleoyl-glycerol (18:1/18:1) [1]* 3570457 221271616 516176 1644699 2083212 0 23460300 34063240 20733796 4319470 612445 23031712 87954576 2622859 3917972 16604850 292477 170464416 446275 1896182 6998368 3869766 13411320 428065.9688 2459023 36794320 11910574 2068299 0 0 45700640 10814805 185764 0 769887 298552 17244714 3705208 12794926 12281303 871750.0625 0 346689824 51035176 122633616 100167552 0 11985193 4634839 0 1855419 340919.0313 3834144 248277712 8000867 1015975 2381184 1904566 8445569 56666272 1641427.875 7383032 12085717 4313073 963838 1837479 1527434 1749256
oleoyl-oleoyl-glycerol (18:1/18:1) [2]* 12881277 434163712 1222401 6205724 5340949 4424367 89446464 106713776 58292008 17210436 8345071 57918232 181766400 21142694 6858225 28976572 1327591 309872928 3572901 3250211 29967950 14964583 52797032 3239038 4975249 139652544 39811332 6036719 1229048.875 1940640 97006904 29988220 1804520 896751 2585805 3036975.75 50463236 11550580 60494176 44007852 2848930 574897 533992928 85926144 240778592 165210032 1382543 54227540 10648286 1925030.125 10566446 4436745 11615530 481808384 17960766 1806827.125 10537612 8332980 16639090 173000256 7626849 21449262 70039144 17664224 6622572 6861149 2593658 2790388
ornithine 18028782 6046712 7777343 9468324 10313763 17296944 18080868 8809788 22953838 13795726 16722833 4282808 19848168 21763760 2265815 8974196 5510769 5767901 15414546 24199622 55009992 28257906 9900705 10428121 4735244 13924820 14874659 18774700 15014800 9246888 3611365.75 15838173 11393766 49954844 3293287 4135175.25 11367007 10035072 8214817 6028170 6076508 4740865 278885408 26677616 2962805 6844291 12935125 10948072 3656555 14544350 10763034 45055816 8156565 44089116 10249424 3269751 18249014 12641225 17738848 7456457.5 5962006 4058999.75 6995537 3921786.75 52243840 103796256 21858440 22566976
orotate 17273796 3142995.25 3152473 3925054 15316183 42703788 26349636 9975274 3973092 7779983 13352623 22833744 70214128 24773240 2072352 11322058 11316264 3219621 58490808 63835740 11813143 18543512 11271462 10688334 1763133 3142544 51234592 112535760 120483416 40187536 27365260 40906752 88774464 107585984 28524948 12347432 9199809 12407117 7168385 7199902.5 12817021 22224376 8622586 14187978 5792793 14015580 3225191 7458263 6829842 11831075 1988272.875 43037292 18135216 71027552 16504169 4990589 36859112 64207500 84365640 30793212 9610131 11228537 12073953 49603892 29188596 25945936 1343211.125 1578054
orotidine 203022 297655 2708353 826459 1611698 778411 240610 557688 503506 331846 0 43010 254090 0 0 10923010 395164 292815 260276 1229310 599492 1465235 2574461 942764 485455 203121 4096983 3738571 580260.0625 734105 1448078 286688 474372 1008159 499281 567636 0 0 0 336193 87345 0 124234 334309 406089 0 21514 213363 951718 0 330862 0 206716 0 384219 5415940 1409410 327665 1198732 841695 0 0 798968 192927 1555979 166026 0 617040
O-sulfo-L-tyrosine 210010 60029 464030 75346 67185 338505 517086 362055 241916 129984 223309 77618 60261 55870 0 0 0 1247388 0 95108 234602 294023 123292 126242 0 50432 63034.9961 42497 74048 0 56613 226109 191738 214605 0 29943 1384317 329660 9697444 139373 48944 521479.9688 3276298 10737481 257511.9844 205664 246541 398272 0 19055896 17795916 11849223 24760542 7333781 181257 30040 0 139982 126692 50834 182215 309994 0 0 0 122834 0 0
oxalate (ethanedioate) 10453408 3396721 4996092 2942304 1962074 5339001 7729749 2311527 4895082 3181556 4925157.5 3850067 3136266 3683672 7458969 6759859 11430900 7462932 4974682 814056 1350435 1164664 3463802 1681471 45954080 17480240 4286793 1235739 1912896 2162611 5376608 4220399 5171167 5159459 902496 945667 0 1891862 11884716 25489494 7380781 8389690 1921928 5135533 25869742 28524376 33682536 5771563 1952532 123091568 3511081 1888786 2021220 25045914 11391545 8221165 6288916 5977619 4902511 8610970 15751349 7362760 4924891 591871 4949662 2571494 584394 463590
PAHSA (16:0/OH-18:0) 0 239026 121419 631918 0 0 0 0 0 0 0 0 591779 156611 230035 173185 115571 0 382012 1816323 1376254 1336610 95363 76038 0 123998 90721 526702 0 99732 1094837 1583689 1095139 4529961 0 0 719270 0 0 188175 446525.0313 197457 823775.0625 631055 312807 106546.9922 50851 234744 0 0 114661 51942 539032 488238 0 469043.9688 178646 106102 447257 0 83123 1024027 0 185224 506696 676448 0 0
palmitate (16:0) 2785423104 5948500992 8130756096 8561423872 5824268800 7016284672 5187824128 4331559936 3739792640 2690354688 1733484928 6191056896 9228325888 3679323392 7346164736 9348199424 793232192 894641216 6135011840 7887858176 2215326464 684401088 7302113280 8537270784 616949696 3670909184 920012800 2152281856 3250065920 6181539328 6474376704 8153009152 12328607744 10835723264 10267885568 9966628864 7509212160 4243342592 2924941824 6187001856 12603689984 12844732416 2835991040 0 5603743232 8119009280 1341822976 9240732672 6791484416 2348708096 4283891968 2965841920 9349757952 5269026816 2337838848 5613643776 7317668352 3722333440 6243467776 606540416 5912987136 9135783936 3926754048 7287461888 681257408 15586940928 5695520768 6457748992
palmitoleate (16:1n7) 74025064 600659840 399071744 173475680 268066336 327124928 93266336 134829536 304843584 76622648 98235248 463051008 429519680 53315612 239613568 341176000 24257948 29027212 106732816 198951696 121962856 66191000 314425024 435327424 6842747 125408464 66303328 75057824 60465864 77532616 487495744 277416256 221643152 319745344 74065128 85398488 253395600 177178384 47129900 59283004 956914112 497842976 26770906 1837654784 136174416 164660384 264563488 569717312 196027472 35428336 347516064 114525472 301053440 680201728 168567216 79803704 303648064 138856784 718589888 42374000 793237248 4464617984 18558656 86221504 94390048 955530432 191948576 145185904
palmitoleoylcarnitine (C16:1)* 704098 0 1193436 862799 204549 416142 41976 0 408931 314141 222297 0 0 318957 0 0 1247348 0 0 0 548279 400100 278817 487563 0 0 1112226 375724 0 0 749246 1404881 0 205750 0 0 761538 953929 0 927477 4385362 0 317486 364241 227247 0 1658410 0 0 1848480 614945 399791 396781 366682 0 0 0 0 0 177438 268299 1052192 0 0 318087 448407 0 0
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* 0 6961089 0 0 281061 0 892675.0625 1566249 759574 205746 0 854572 4685524 0 684077 414843 0 2608903 150693 372958 505086 328645 896603 0 0 380006 0 0 0 0 3385711 436297.0313 0 0 0 0 266446 185631 430054 0 0 0 7408195.5 2232776 1988901.875 2315347 0 353556 0 76465 219569 0 311411 22091152 0 0 108881 0 1461544 2957179 1362564 3015047 270938 0 114979 187319 0 124234.0078
palmitoyl dihydrosphingomyelin (d18:0/16:0)* 1179959 962537 1836861 801444 722817 6998219 1855131 2753334 3872316 3935986 4263509 391583 4870112 9184366 718726 455866 452716 422169 343454 11673380 1251057 2901200 2836474 7291993 191728 496444 1200583 512234 2333158 811908 2677894 3050756 1706273 4883451 369652 326907 5658422 3748327 1216472 2121175 752696 418199 7934784 5557669 2718869 1753828 2866321 3828860 535708 7920813 1065880 1452387 6603765 3444542 954694 3337622 0 796650 3582035 1980525 3250871 3154908 959745 1283860 7070348 6999763 2396141 2078435.875
palmitoyl ethanolamide 4228759 2254169 16899848 11674087 1268775 13177141 3572616 22281244 12881102 4957353 3381921 2741787 3111160 9780034 4774652 3095121 264386 959407.9375 807028 1392918 115788400 104074248 55974992 33995344 430325.0313 1672260.125 1467339 2992277 3181283 5000641 3149717.25 8221408.5 928984 3027010 316513 1224220 58295804 62167512 1429447 1114977 274318 370762 5371597 6737666 21360012 1259986 3333505 3586133 11728632 3002478 15847999 9693321 16916388 10502003 2106702 2607778 806730 2748812 1940535 4592519 13911045 13849835 226342 344854 4441260 5774764 1530760 721612
palmitoyl sphingomyelin (d18:1/16:0) 2374347 1867017 2013940 1037419 860914.9375 13713271 6074697 6656007 3552220 3100302.25 10940402 1535518 10983546 55396468 1008904.938 501367.0313 731268 455986 1120677 17197192 1346954 2484498 6896845 6255010 245502 1000235.938 1175101 749707 4164956 1144597 4798042 10260741 2199875 4631095 941361.9375 705467 14455533 7199405 1028834.938 1427517 1688374 787084 40247760 15123760 4995214 1482660 6764372 3569372 745726 26652026 1569209 1647314 13892598 6540441 1540908 3985285.25 475617 3466960.25 2584263 3535733.25 6055269 4518523 930876.0625 2162816 5457370 7450637.5 6778900 11691721
palmitoylcarnitine (C16) 359724 926738.0625 26080300 26334490 509470 3694972.75 3389797 782797 15466055 6128048 2523842 0 1234316 14739326 0 473289 154371 61229.0039 201455 1231123 36797744 26155290 4015582.75 13468505 207035 252560 447595 307775 641234 187246 28104808 39727124 319029 2193641 959080 824711 49426156 36560024 525811 1609948 454365 156587 17984104 11633878 10872822 257662 4968508 3259361 607377 44506688 29158352 27260124 18252448 9413661 0 83195 193360 1414786 2735994 9603012 3965702 8492738 246957 0 3460302 6169943 980728 367131
palmitoylcholine 2704557 0 3069728 5672345 138691 0 0 0 0 114510 0 703598 112029.9922 124250 1152793 854938 878692 91902 1720121 926468 0 51421 0 0 663107 2333548 423098 1050706 890352 949238 728117 423390 6559451 4382563 2214827 1090080 0 0 947961 349165 238972 159439 0 0 131227 104369 0 77033 1293161 0 0 0 0 0 60990 177227 377678 229509 322574 2121840 0 0 226156.0156 5152222 200153 0 127069 311826
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]* 176873 19264456 442725 1015271 1863971 0 2574873 3765945 899898.0625 3781535.75 1053186 2334415 461772 979531 6094201 0 0 1144466 1083282 2876625 641451.9375 2406428 1533136 181248.0156 0 1115816 647736 686346 0 370079 637900 680356 0 0 66705 402812 347534 296651 191424 11320354 0 0 848195 0 7996017 7701486 0 766498 997166 598573 308814 133975 762223 1758383 7189132 2646063 5048021.5 0 3382574 61780488 1230109 733551.9375 507471 236231.0156 865643 1462111.125 0 200099
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* 2544015 36385572 1554671 404762 4571475 0 17099280 17692206 10720277 7197048 2062647 12386495 18102420 3668704 8344602 7868367 356728 41080912 2515000 5060041 9623994 10816141 9041061 2163187 2079743 13399031 4111042 3555267.75 586172 1522346 11462277 4852553 807519 683566 1096534 1187889 3865289 4821049 4113563 4799421 1138615 746949 36293804 9080790 24890946 39641432 896662 8869309 7281757 1388476 2764369 1238868 4701575 16986468 4684485 1144470 4116963 1093094 26707636 17079264 8769538 2346255 4223730 1690479 1218464 3557634 1125820 2938385
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 8703652 69072568 4145195.25 2110542 12997485 1348660 49632320 39500812 22373180 22831210 16912832 30517992 33674896 21553066 15909722 13789452 1021168 76164928 14694445 10512983 28612536 35020440 21850366 4721207 3554403 48904212 15555460 11638958 2967389 6631142 23586964 10379323 3550996 2730678 1728457 5912607 8493428 11873480 16340868 16642932 2735993 1564769 56258516 12792462 47089304 64935256 4536301 26784764 13102558 8977433 10557719 6655564 12247340 52361720 8985670 1866583 11480267 4036003.75 54403708 46214428 22664520 11573170 20694558 5651615 7358674 10193900 1561894 3732433
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 2527768 53308756 735323 946703 1427939 726249 15355263 10357062 9330440 4314098 3020932 11333240 8104062.5 4986036 1469456 4273863 300323 31495678 1555497 1031419.063 7784110.5 6533359 4846415 927165 860412 13439789 4031474 1609819 844746 1136393 11823347 2909275 608744 633181 896598 1932813 2320700 3062382 4292145 5441468 759438 438709.0313 20278292 5047583 14161773 14104864 762375 5685275 2454950 1263124 4579059 1341783 2200649 26141200 2765869 385474 2673233 2341392 7684938.5 9907365 13338663 7444041 4519542 1442212 2499057 3041802 1731637 1518822
pantetheine 357329 411307 77608 203591 967065 2172681 393377 123043 354698 931399.0625 786325 95274 765208 490253 0 0 0 146646 0 687457 353457 172906 227224.9844 278721 0 0 1680094 1181824 297409 441129 195317 176461 840027 987846 0 161769 0 0 627057 431748 89190 0 196095.0156 151435 325700 429104 110283.9922 242440 0 0 839454 1362769 81405 0 0 0 1045163.938 1137322 351792 520746.9688 338559 514080.9688 70161 60366.9961 382972 557587 0 0
pantothenate 136932032 45150500 37383004 53648392 181728784 128816904 161205104 143140960 113094472 125240920 74711296 73141344 112399400 82856704 10309238 16224257 27188648 26586772 59704532 92507512 163448528 141964768 66762160 71531640 17410084 91826416 173929968 154958576 91752136 79236008 104680400 124587976 133682616 170086352 26409648 38266384 118844264 166334032 281806208 43218568 95481344 64630736 80505024 184039584 55034600 80148928 157246144 98599072 19503786 24994710 92644256 122995912 118242408 167055536 52812936 4941300 200135328 273415040 92370384 60874336 73341760 121274496 29822890 33079190 172916864 126641776 129338216 43922864
paraxanthine 846011 1557192 791212 2605900 1063678 1425957 724523 0 523114 521967 570670 942904 892655 555399 5049520 5243145 729540 868730.0625 0 0 1434475 1817478.875 440933 250691.0156 0 0 478249 882822 555832 434750.9688 444974.0313 804063 105844 0 0 329552 0 0 1380273 1006309.938 0 673615 0 521922 0 0 798784.9375 525183 0 230354.0156 0 0 466714 194875 0 1230712 448237 328488 1588347 326773 445599.9688 0 0 0 417659 0 0 0
p-cresol 231126 197456 632929 957793 188705 0 290541 0 280203 236987 655485 445874 0 133473 836292.9375 0 339430 0 1743681.125 273129 537852 867918 842385 936130 2133484 370985 446613 880881.9375 1203351 1262580 265677 419081.0313 654414 543134 742030 4197771 0 0 602448 532825 435571.0313 406767 0 95888 0 0 1052479 533110 472879 259349.9844 975720 0 252630 169270 640145 374947 210146 198325 494665.9688 0 345590 174319 227625 736807 1279663 683007 319739 416262.9688
p-cresol sulfate 2672495 303396 2917782 1748516 743765 5270110 1355361 1467853 1880437.125 1344319 5298061 4760460.5 1861292 975294 790889 976740 302607 761220 336227 456460 7767721 31726566 3823583 2183185 2276822 3143909 2545087 898508 3526542 716753 9707337 8174980 4630284 11301184 405247 2149948 10000672 11575719 31700908 3629850 687688 48035712 280874 1194771 1146739 1419243 10101954 9828040 864488 0 10899746 228764 41979768 11812826 14508423 1264691 1653570 2949245 5928487 2923264.75 13143472 3708923 140377 267666 1737016 1905893 803376 1012483
phenethylamine 0 0 471546.9688 720102 461930 261089 613312 0 1129574 1198824 837961.0625 333690 0 312765 0 416172 563621 0 292041 403553.0313 17502416 4647767 161123 1674598.875 400810 657512 0 0 814645 643361 1313896 3803708 311036 468239.0313 0 0 3696653 1082881 1055112 539381 590266 0 729076 677637 715165 994769 18275856 1214229 459191 2088704.875 10842898 52343304 764947 870474.0625 754334 0 1024282 731635 1143682 539962 1125251 797642 0 428165 1600825.875 0 0 0
phenol sulfate 0 0 0 0 0 2457114 0 17860 63628 41304 616832 0 23123 35146 0 0 0 0 0 0 382010 130391.0078 0 0 0 0 33740 0 0 0 157650 1279607 27204 302569 0 0 261814 7297615.5 498919 0 0 3933617.75 549720 6823925.5 85421 17945 51074 187853 0 0 346284 132828 606704 686369 0 0 0 26857.998 106490 247180 104372 0 0 0 63375 49114 0 0
phenylacetate 10717009 1060230 6033031 3025771.25 4113125 2889391 6614232.5 1925709 9894568 6134682 9735124 8930303 4447172 4789650 6152023 4731000 8967219 1843344 9702424 7916709 5790274 9267745 13411077 3694330 9852581 6983048 7554796 6635971 11119932 8058534 10760871 18262488 4627232 5583487 2851226 4167758.75 9439259 3713768 7285773 3170257 2191051 6397933 972935 5844151 1406593 2237305 27390650 10522466 5423827 0 6539474.5 358668 9693897 5105305 15778305 4574310 7135686 4881441 8167397 2251634 23704368 13779504 1127375 5592343 17180892 11684802 6198483 10548483
phenylacetylglutamate 745660 346810 273780 296660 277251 346648 0 0 0 0 0 0 89893.0078 0 377164 113820.0078 0 0 0 0 398709 129212.9922 0 0 0 0 0 0 0 0 0 0 0 0 1075721 765854 0 0 0 560958 184859 0 0 0 0 0 153099 381869.0313 0 0 0 0 295026 0 0 242282 0 0 536709 462296 0 0 0 266247 0 0 0 354352
phenylacetylglutamine 331658 0 96235 69620 0 0 0 0 0 0 0 25544 0 0 107241 0 0 0 0 0 24638 11377264 0 0 0 0 0 0 0 0 540323 23048 339758 0 0 0 21446 21044 12447773 4492150 0 36958904 0 29561.998 0 0 0 38110 1010146.938 2996106 505327.9688 2366100 20397 732602 69695 901474 0 0 1557357 23023 0 0 250736.9844 169149 0 0 0 68021
phenylacetylglycine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 180139 0 0 51278 0 0 0 0 0 0 0 0 0 0 0 0 0 150543 0 0 541304 2438002 0 0 0 0 0 0 0 0 200712 0 0 0 0 0 0 245977 0 0 0 0 0 215450 573764 0 0
phenylalanine 912152960 141556512 416007232 331357792 585849088 547035840 530595808 697085440 877764288 1094462080 680297728 639274816 620322688 638452032 293716832 281778944 413183776 457094048 672978944 660060992 825397440 556011392 613020992 584389184 130629312 917935296 661456832 523180032 306690272 246950400 509654144 769120192 661800704 574049600 311190848 264491328 950043968 994205376 725907712 462763392 310739872 369816480 1899790464 2007953536 347581312 445113920 1420294016 1007237120 706483328 1484491776 1275772672 1367772032 933006272 1179984256 596039424 210715072 575561792 681006464 713124096 308939104 630328640 973825088 157704816 306726176 341884416 724126912 539807104 473352384
phenylalanylalanine 657183 366030 134547 163149 660423 529603 670215.0625 590497 990093.9375 1036319 1230056 949520 608992 926790 591455 350277.9688 653014 1270721 632608 1137985 712512 335824 1791815 1075453 4416196 910615 531751 498513 224907 171219 1286545 1622384 2188192 2813082 473608 232768 703731 778781 307495 312292.0313 343965 330445 1090049 2287288 531760 769427 536508 430561 1716755 0 6437068.5 1229044 268680 898239 492325 273866 527523 1104308 684886.9375 1253504 683534 385269 172029 196202 1199310 328263 2231156 3744324
phenylalanylglycine 531340 477607.0313 0 101177 560781 815099.0625 966111 709861 1068839 953585.0625 1953634 981977 1018211 1439752 884610 413502 696366 1051831 1152223 2043758.125 1728158.875 525550 2658462 1656086.125 775296 682116 547599 395036 301749 108367 1539895 2680440 2665437 4423138 180626 116442 877708 1451838 288213 197255.9844 328855 293208 952283 2227997 1117633 1142009 1598683 430420.0313 867308.9375 663944 6644332 2632605 204776 1944859 393869 255049 552069 1037176.063 938377 1554458 897911 334912 166734 170474 2038997 566428 1817684 2016729
phenyllactate (PLA) 500953 658527 0 399419 506409 563530 1990220 1715641 257617 1787723.875 689816 256810 881857.9375 1467345 358350 290041 394057 381691.9688 865871.9375 730897 4959887 2242607 0 286939 283705 575731 3450181 1836147 916232 378958 360326 648163 663882 945368 0 0 907745 490815 732173 443404 131359 409448 1224424 12051727 626633 414926 531583 590953 514417 1203920 997965 10063634 1413017 3038329 391205.0313 0 1345444 1706882 369151 909940 3674678.25 7984941.5 258613 349603 852169 1314868 768426.0625 820299.9375
phenylpyruvate 487796.0313 0 288109 298502 153145 88557 0 238522.0156 317781 466999.0313 0 0 93384 363185 121263 0 232648 141501 85381 243189 197068 377635 176905 0 62694.9961 2392632 194387 84995 69255 52437 142666 339078 387504 45143 428985 145503 333353 207899 300406 132660 0 0 759122 1051537 69314 0 760303 3081404 507435 150166 324415 104064 407637 225569 50164 0 153836 83384 66131 106053 97588 230859 0 43912 288578 202223 0 73928
pheophorbide A 10653879 7321411 1260445 442935 2715589 294800 348321 447949 6588851 7680534 864213 710098 3224631 458380 57635 468918 1387268 282867 3352708 129573.0078 1336348 1593190 287752 3966466 1993891 546543 3613615.25 1234748 348570 1764819.125 439796 389246 364126 9804017 113766.0078 105180 405498 86311 26312132 886370 4437409 3705564 295191 7360116 29391424 2496114 44478336 2775030.75 841236 0 105941 463285 2214058 4424476 67767680 9166261 6854740 8512469 261717 2364198 826135 7858964 755774 394560 1582500 1568387 479641.9688 4854436
phosphate 2640895 3513143 7475294 6613143 1372242 42790944 12513122 13160615 313333 394290.9688 17714996 35392364 8579112 2475657 18156658 73766088 1097407 30972448 7563038 10423466 854561 0 10972675 10431683 352852 769498 2662267 13358117 22221912 9214946 61574144 44469132 42395168 140236512 91459920 38930248 2096894 891053 2299135 77363184 140656096 41228232 41743520 13361962 60192420 56389764 1663577 4390722 17992712 21012924 385938 1754692 8336554 84125608 6180222.5 33411792 44803816 54483612 31454672 11723268 39469556 4002564 18765836 30444012 8158047 4469611 1155795 964596
choline phosphate 797792 5109216 400397 0 676564 4450905 26691800 13357262 772350 151082 2261565 1868489 2244295 1698846 853389 1358948 98688 102282984 0 1237548 22489180 7974417 3178276 1153393 1289397 0 0 0 673719 0 2546324 1399781 1066501 17986672 491514 650561 16198123 14105841 397994.0313 19023100 2294725 1498914.875 126242416 12817650 8913557 817369 2942008 4269538 300818 8716588 3248994 17241724 5472782 40201000 890875 4432288 482033 856235 12590376 32953534 3448108 7394392 115075 106453.0078 1190854 3035975.75 2121107 4284770
p-hydroxyatorvastatin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2268972 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2163546 1093676 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
p-hydroxyatorvastatin lactone 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 830822 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1108133 332096 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
phytanate 823686 575979 2862367 748070 3664695 2238056 209888 2811969 1671624 998367 1080011 2285867 5701828 1538504 1721412 0 423482 0 4754543 20338204 1441931 1050388 4772747 10521888 403020 1338704 288350 1677851 421079 4247452 2398198 8033069 11714625 4598513 7950495 14439643 2121220 1056070 2083423.125 1331546 19602788 115183544 0 14157882 0 0 9322368 13759153 2027727 0 1418073 443916 5798339 0 411395 3359659 7723129 1970922 3059059 84160 2514631 39886592 1755328 2370179 162712 2625194 1419038 7407429
phytosphingosine 1614091 3105913 1187991 828318.9375 1577621 5760137 10036826 9199989 7383965 2920866 9310243 2272553 4365121 17314460 1048871 1344618 537170 538181 1460312 4087802 15317283 11090658 9413476 9334144 382979 1809355 1713734 1810979 1581937 1653655 1849542.125 4486775 1216142 10216165 1999156.125 1158816 12643983 12400238 1351878 512951 690092 4236445 5408126 10818862 3382871.25 2006606 11170026 5749363 0 15962101 26234412 13778283 7028858 6797163 2379793 0 1677887.875 2074768 2337586 2152907 6611696 8267906.5 859101.0625 759988 3864255 5112332 1290658 597655
picolinate 1067946 1287633 660665 617306 568936 381217 286570 0 1937582 1187119 557019 605734 783421 905397 1294091 248038 830031 628745 1223856 391811.0313 488988 1044703 0 0 915122 1318821 1585075 751418 514502 1043836.938 0 0 522806 419532 0 516264 0 0 4549564 660518 302705 2366021 0 0 1508883 287044 1100155 601358 0 0 899240 0 399054 417409 664074 582557 570383 470120 671521 1076953 368721 0 516331 355619 892970 597833 0 598152
pimelate (C7-DC) 2786367 941191 1027228.063 1742233 2330527 1090264 3809924 1739227.125 1584847 4110423 4080332.25 2681140 920411 1315658.125 1025609 1828253 8133410 2202927 3035781.75 4904602 1527288 1339292 2755339.25 6409901 10021379 3723667 6012012 5600371 1474803 2552303 1782793.875 2626839 1313038 2514496 9220550 8211796 1240539 1130482 2122744 2068589.125 4037369 9086304 958036 1502861 3493039 4969013 1775246 2617780 2942947 0 0 339397 1761364 1555750 3166508 3403240 1730274 3700676 2512330 2812553 2221286 1613485 0 6468890.5 2500138 2370576 0 0
pipecolate 212766128 73952416 152734288 240880272 127707096 69804800 87390928 43918972 112525080 169213296 76176976 234206608 120292872 58780156 8690480 4046067 278211648 94335808 250408256 223828768 119422688 50968340 275594944 232387632 440380640 6730571 160051392 203356688 250691728 313908224 117410696 145359600 216559952 166688720 4370414 3770491 104780944 121767840 171557152 216774944 365248384 533386720 18358424 127758288 131764104 241012496 156026512 274813312 346304992 5143263 58836716 33559432 54320872 19928456 164384288 171015520 205999104 167378192 94047392 82134496 156716704 120068304 133109832 219335072 79282160 36464956 203573856 92517048
piperidine 2626939 1031450 1201412 2674002 737781 1134780 27312474 650210 1432723 8721138 2414712 2165451 665135 992196 16785552 9652012 292250 301429 4672734 3581275 983395.9375 2680111 943582.9375 1286050 651885 5163607 7774232 24569418 33125288 42705500 2129085 975279 3710589 1325680 1041095 905789 287872 508223 1090777 5869788 3172344 1984064.875 594346 691858 573003 1043573.938 1682237 4346088 0 0 1165207 1718311 393567.9688 214867.9844 234729 720054 23360090 9309213 2309948 2109529 1105011 195991 534262 1201246 2000849 1518435.125 414767 0
piperine 6440354 4347800 147716512 23171998 3094713 0 8613010 1703655.875 442105536 9866722 3479003 1063055 0 5562909 8310008 7405838 2677937 4357536 4126892 1765654 55886692 115127776 1771330.125 5360347 732582 4745167 7594528 0 11004135 2453377 4826046 25163840 26879552 27401516 0 0 219938.9844 0 12177902 2891367 5366655 14872700 749025 35832496 4812227 7179912 8607379 131678 243948.0156 0 6742891 60558.0039 17047120 7678989.5 15881792 14890642 0 3504816.75 0 151031 3038547 28030222 148168 0 775382 1797077 5096107 534864
ponciretin 0 0 21634.998 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 156468 0 0 0 0 228812 0 2697591 0 0 0 33224 0 276988 0 0 0 0 1673518 657315.0625 0 0 318490 492829.9688 1189818 2971781 0 0 0 0 914339 0 0 0 0 0 0 0 0 0 3299141 135765 0 0 0 0 163567 0
pregn steroid monosulfate C21H34O5S* 0 27479 22410 0 0 121619 2910737 1509450 4572253 643800 7577617 6625974 76542 97608 3837366.25 3968434.25 0 28559 0 0 622143 769611 3124052 1862276 0 358064 0 27984 122029 0 948090 956581 0 0 0 427558 1123010 1494335 738963 473662 0 0 1357738 1374067 2704619 0 214209 5731076 380613 130984 5015649 3553267 5619043 6829820 994441 573465 4676721 2869698 182785 744750 2964242 2802471 0 0 385642 932549 497453 587924
pregnanolone/allopregnanolone sulfate 0 21729 708795 0 0 1055015 190382.9844 0 250777.0156 0 647546 0 0 0 277088 236372 0 0 0 0 0 0 4876024 389382 0 53446 0 178701 0 88024 653892 211623 33340 0 0 0 0 87488.0078 37475 0 0 0 0 0 144886 0 98086 566879 0 310411 0 0 0 80931 0 0 226108 124444 0 167809 52346 0 0 0 177445 132127 0 0
pregnen-diol disulfate C21H34O8S2* 0 266249 55775 0 0 37398 17642106 9774336 9124158 243461 37360208 13647025 174943 0 8980771 7101429 0 129859 0 0 1597800 2290068 18038254 9519028 0 837343 0 0 129911.9922 0 3415693.25 3955499 21651 337604 0 241952.0156 4225638 5471076 2505136 1404270 0 0 2529439 2729391 5930481 207841.0156 481135 8224301.5 995014 5295920 9977930 7369539.5 17027256 12628958 4010282 1649103 9823418 4821095 225084 1253223 5621510 5534822 0 0 4610472 4283304 0 0
pregnenolone sulfate 0 0 0 0 0 0 1983343.125 876742 1577715 0 5354333 4476785 0 0 1299402 1580979 0 0 0 0 307051 231621.9844 2077606.875 1541018 0 200705 0 0 0 0 489684.0313 451448.0313 0 0 0 38936 611403 1088988 278897 113715 0 0 200361 766069 1176902 0 0 1251092 185920 0 3038649 1343184 2382310 1743401 413795 251910.9844 1912153 1373927 0 196469 787996 715124 0 0 184569 208619 200610 216355
pristanate 121758 139988 292200 171091 425499 159778 0 302244 280301 278956 134412 343732 1327979 131654 215062 134302 0 0 457966 3524425 250649 181648 713073 1168637 0 281145 0 178132 51617 315242 327284 1123529 1645602 911379 1546681 464170 420788 275338 93255 159798 2108562 4903720 0 2112636 0 0 2812990 889439.9375 0 0 169542 120499 815379 0 270066 776543 550336 188330 500191 0 255903 4557293 113301 269969 65442 196070 274873 1255289
proline 788627904 139575552 299054560 234963264 617034240 548677952 302587232 473503168 529285024 939595456 349326592 398860416 477729504 474664768 106766384 175165008 320776192 307534048 442884320 420429664 302977088 335669216 469783904 343674784 167490256 615643776 575581888 465992736 513871712 499404576 321510336 515514336 508963424 429584320 271554016 243234160 937589632 893770112 599523392 412143584 325015264 270617952 646149248 1271559296 211277280 273069920 1362931968 751260864 357433728 1164889856 1368718848 4149508096 817538944 1068385408 457707968 153163232 609146944 767843840 500373536 165726720 378482848 774399296 209084016 340919328 448551872 656585280 661837632 587566720
prolylglycine 1942066 386878 676900 228667.9844 1732010 1284721 1638649.875 2537008 4254720 2136496 969618 1009970 1639161 881356.0625 1984615 2636285 1368107 429468 754446 492653 1528298 1205319 515462.9688 552987 1673279 3543329 856031 0 0 0 0 701920.9375 670876 799403 0 0 1595354 543138 483069 837756 0 0 387383 1761824 3322129 4265957 474586 1341700 2324160 9778221 2349793 6259220.5 642541 830203 396726 608247 1247044 1905032 1568605 627132.0625 1223440 1614756.875 0 490567.0313 489557 1264823 2211062 1638935.125
pro-hydroxy-pro 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 47982744 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
propionylglycine 137562 0 0 130971 0 57105.9961 53610 0 62558 92035 0 69728 102463 105803 0 0 13545 0 22508 59559 100980 129982 85543 0 0 93173 50938 37008 89119 54033.0039 58151 98834 59498.0039 59453 0 0 79088 90838 0 137376 0 192992 126779 124074.9922 71093 0 150396 113412 0 0 265272 684277 104350 351200 0 67075 0 79598 188247 0 49118 62086.0039 0 0 179187 193840 97717 167564
protoporphyrin IX 4068100 719254 769473 231755 2032835 26107060 6570264 2035318 1375774 565244 2009719 1008145 227853 3389856 2925849 68785 610991 199000 988740 1245164 208037 0 202422 719029 618640 112171 6851013 21794288 3007918 1548002.875 5193602 7864401 2372682 32194956 67431 435045 1484868 1149005 169767 360005 7830120 2105123 164013 509789 6850412 8212454 6553796 8462362 0 2147443 769646 2089660 3246161 36093468 332647.9688 222750 27429498 4070298 11417505 5859689 3357617 1403662 0 438071 11601211 2902499 0 0
pseudoephedrine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 67183 0 1200239 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17645854 2614517 0 90402864 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8327190 2743778 0 0 0 0 0 0 0 0
pseudouridine 1625561 357486 208802 701469 1650299.125 539684 739314 741354 1149908 1399679 1242734 1501855 946702 1855878 323849 185689 1855266.875 737156 2694566 1223360 791965 1150344 1734999 385590 149260 1972548.125 1796018 1745207 1474189.125 1334803 248202 372171 3120468 3064361 1650530 2160844 507498 1043249 1353825 942338.0625 1068030 3142592 1237906 2269746 1525284 1652951.875 910870 871943 279590 2584735 1107407 1742616 1380267 1140967 2003816 246742 4889142 6620905 1677009 585371 717516 514646 336708.9688 761882 4252302 3040520 1355284.125 968342
pterin 2094947.125 680815 5117799 1834635 931760 879053 544906 251782 933787 1055946 1435413 1887304 870750 941432 1216467 1569625 1032245.938 525202 3768838 899415 1339166 1057209 1026915 1838789 280087 486242 830360 1003601 1170634 0 1407103 2098351 1652943 1938358 1346616 1105459 3546164 1210802 779636 1134568 683673 738585 907045 264497 1127095 1005956 786603 1860644 1617929 134877 439199 202112 968076 1793485 999776 1315505 954079 1588282 1632814 0 339531 470542 1844425 3261496 1129485 541482 0 0
putrescine 0 624504 494024 116071 138951 656198 448488 315278 1244121 1038090 33606660 915212 538678 561512 0 0 0 749582 0 437909 79017136 2644777 220505 394006 0 0 3632192.75 6551692 5773351 3667810 2686039 4045934 243718 601887 0 0 43773260 9990870 0 476995 0 0 8148731 108995488 356177 574464 0 117516 261857 0 3390477 3156686 1678503 18010512 2522569 320529 1079687 1992279 603304 648194 28190072 76419968 307829 131065 45606176 64578144 1277295 643627
pyridoxal 6240767 1724284.875 5668853 4915514 6800869 6040228 6762757.5 4386757 8206549.5 12766503 5141699 6177513 4413847 6249659 2170171 2905628 5595229 3264129 5861234 5638626 5795898 1054516 4519456 3244168 5055794 6302898.5 6439222 8632088 7123038 5737956 6017537 5567847 6830663 7616563 2669743 4135635 9051023 7867123.5 5508173 4044610 4926917 5093163 3086805.75 4835095 10340276 9426722 4172901 9126771 6298693 276251 10401864 8607987 8619786 8770467 5479741 2521663 9720951 9728719 5117855 6386298 3978563.25 6910166.5 835362 3223379.25 10568592 11688899 5105334 2863981
pyridoxamine 20994176 3545713 4592633 9222984 27758842 29412804 26861630 15488788 18164778 17049400 36321872 19064238 14554377 14905080 14856702 21628720 14307556 4078600 25499082 17715768 15981307 17976792 20194592 8467305 8908479 27175964 38327136 38792352 20866148 14929655 13709667 19106578 20444592 22447772 5461502 6847949 8277074 17572636 29434108 13390212 10570734 18653316 11287510 15119497 9127685 13143050 21471296 21426064 21701662 0 16192757 6787974 17403260 21169868 15712984 7507919 35654400 30149864 16561283 6526803.5 28652850 17061156 3476079 10943673 15247604 17545820 38708576 25848610
pyridoxate 110701256 11429846 5126284 9429551 24340138 7830644 18225710 11410716 13342276 13581899 36004724 20012912 21151554 34985972 10398935 18426720 288725 2207766 24690312 23947908 63797412 56321584 12111446 8052149 31645564 25115950 53172840 59834992 12353030 34585760 10771257 13923988 13464607 23346976 9295462 18569256 24195828 60655848 42198872 15058875 10356261 30103684 9249487 11957809 20349464 25007300 20964850 23661122 40885676 1837895 19477524 12549088 16605778 43240344 17395284 7432171 17125934 20887754 22473840 19861856 24545102 55455064 19345364 25087442 67732928 51784272 5521494 6794272
pyridoxine (Vitamin B6) 2366866 0 494221.0313 254978 0 3647590.75 612745 321844 470763.9688 427106 1065917 0 0 0 795126 1708431 874571 99420 1824561.125 601112 315142 0 0 0 1386441 629613 3297247 780917 2338228 2144280 105636 244665 0 758051 0 0 6736326 427140 2427187 367230 0 676387 13316168 0 2541535 1291407 6142531 1277802 1142935 561709 0 1667280 637047 7108434 0 0 733980 609548 143720 2742566 2617743 1541816 0 598989 861602 743641 453039 311271
pyroglutamine* 1713492 1547879 698783 790181 974557 1441183 803821 658623 2173826 1548773 1883926 1379658 1090769 1632985.875 436854 468620 1871384.875 678733 474314.9688 1124278 10157081 5267441 1957072.125 1303521 1309544 1135743 2239593 1863237 1029777 678857 1148294 1754903 1768462 1538855 1108072 1181421 20887328 2674724 4962715 1122599 1054548 5987350 2089331.875 5959909 1485497 1939163 1983136 1628578 1647427.875 227566912 1834973.125 57026912 1756877 8722922 1431158 1229555 951043.9375 1522637 3097113 2831299 1545649 2746380 917233 724095 1972438 3443515 3345162.25 3248953
pyrraline 1168113 7219903.5 426433 94011.9922 737638.9375 7611420.5 3186096 1239006 1869162 1275723.875 3746687 469717 5130189 7662896 165677.0156 56420 137057 812854 235417 7401863 4864090 5292690 2595188 6711755 65943 284701 4865209 1121002 1522490 1012413.063 663844 431018 3993114 4593417 42871 151128 12947198 8025260 582397 449602 67256 276205 12298011 14116958 1870996.875 175348 19497206 1524266 137732 14786361 5076806 10686917 13737329 12129324 178013 105430 5650339 10601403 2734291.75 6320788 491872 720191 161449 89294 10982343 18153616 3171763 899285.9375
pyruvate 2052345 909495 5123425 2667820 1270624 2898585 670520 1584131 1424437 1452479 3523839 972793 1746669 2958661 3893729 2497731 1977728 1450068 1506005 1814296 1846868 4790971 2426057 1965504 2571335 2954752 13023654 9335975 2598531 6467836 2472824 2454915 3125459 2803786 5299048 5391018 642822 607844 6893821.5 3332370 1041109 955708 1572096 5337662 1075240 640824 5385719 9024614 1663167 15257622 871584 1054080 3415307 1799018 980892 1976652 1018245 5340256 3213832 2776778 2552868 935316 1369721 1552939 8320633 3450960.75 160786 252904.0156
quinate 114089960 347446592 45431836 23222892 19178136 40486648 718737 2725776 338885952 441374624 132364888 2442630 33463422 3614995 15617637 2009041 11187520 28346704 39208944 4911776 877088448 992984640 1474888 5081298 2953409 152377120 5626284 2009377 45886916 58589344 3104072.25 5586773 20790382 806614 21156466 19059602 31683912 6673583 924831872 1028098816 29254396 14224045 18963134 207117824 43253248 13881939 23173142 749617920 776162.9375 83532568 12352041 81381768 1074863488 6341835.5 1602212 10654322 2577293 16665328 107008392 110343720 10885499 19188986 23879544 12423725 1560000 14785080 5028605 19870988
quinine 0 0 0 0 0 92184 0 0 852164 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 231583 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
quinolinate 0 70221 0 0 0 261797.0156 49910 0 47978 0 250579 335648 91910 208236.0156 0 0 0 0 0 0 165709 136109 102549.0078 59635 0 0 302227 350276 0 0 48982 0 44902 84101 0 0 168664 411622 460437 145669 0 342066 74092 56102 54295.0039 45318 432635 173336 0 325665 178475 174694 128029 377190 0 0 0 0 0 41127 79872 199941 0 0 222132 0 0 0
ranitidine 0 0 0 0 11859125 0 1441317 0 73002 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5455736 28970358 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8086458 1890993 0 88178088 0 79859 0 0 0 0 0 0 2898096 23480372 0 0 0 0 0 0 0 0
rhoifolin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
ribitol 196412 0 0 61748 69413 85041 105668 34337 84847 120080 29138 0 153296 69487 0 0 0 0 0 117938 0 0 0 0 28655 158497.0156 0 0 277058 218081 0 0 111117 573064 0 54741.9961 0 0 0 0 160271 117163.9922 482768 175503 49712 208820 404030 282704 43173 1038189 104646 792131 0 88259.9922 0 0 140878 268910 146291 83212 0 0 0 26811 0 201491 140746 141948
riboflavin (Vitamin B2) 5598631 651630 1458751 2066202 4163835 2227520 1559124 1691979 2753680 3885692 2280354 1503112 1725287 1704400 859729 1208227 1233775 511972 2266723 2578870 1167958 445803 2755141 2032530 700410 2356626 2675040 2776902 2716505 1588925 2235006 3945731 2652928 3802701 398431 644591 1563921 2999870 1822514 1271148 1341414 798542 1110332 2388003 815354 1426210 3362271 2999994 6443884 0 3126775 1758542 2223622 1956712 662722 293794 3288188 3042962 2182130 1415989 1627525 2215635 437145 1057800 2088038.875 1561722 2563328 1823654
ribonate 823542 1721389 1446606.875 561355 802091 1352806 923155 782349 2104537 1195271 431781.0313 359069 939791 1353787.875 155673 192264.9844 532300 530012 395572.0313 918909.0625 346104 1090933 293943 715303 2205905 507863 1221899 1968732 795531.9375 1133863 1447005 1885853 1902364 3083526.25 701799 1044566 1855598 1329889 1846660 807080 367880 2675332 589933 1372135 1445188 823695 2212661 783125 4708118 89545984 6744817.5 85688688 953892 7908211 890372.0625 483005 1956057 1686893 838967.0625 2200208 692553 1382381 258921 479920.9688 1700294.875 14059868 2181097 3647715
ribose 23349496 0 0 0 16846124 22306404 0 0 18110572 36567256 0 0 0 0 0 0 0 0 0 14668603 0 0 0 0 1419657 7013922 0 0 14466088 13514687 0 0 0 29180496 4782557 7836994 0 0 0 0 6116155 3616531 15386782 0 0 0 24689274 0 0 4699667 29634524 0 0 0 5673249 0 46712916 45473248 0 22040728 0 0 784394 1806724 14453555 13667226 18744398 9434937
ribulose/xylulose 459713.0313 0 220382 235373 446584 1039160 1798013 1050203 343553.9688 456168 525847 279966 777593 1821651 0 0 546392 520217 0 0 848437.9375 383242 539169 0 0 308154 787980 724656 284264 251559 92447 358154 591033 898791 113519.9922 334047 592641 498301.0313 105160 177900 368712 259264 568301 0 1986420 1173623 322028 272846 0 1853019 378596 4351484 0 3858846 345511 0 1104589 1537594 1311496 2056477 273282 0 0 0 1124773 876340 249977 189404
rosmarinate 0 13905 0 0 0 0 0 0 0 0 0 0 0 0 0 39733 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8285899 0 0 0 0 0 0 0 0
S-1-pyrroline-5-carboxylate 1210746 0 1213043 242418 0 719102 0 928881 886804 1366992 0 695868 0 568353 0 442021.9688 368348 0 823618 473702 438999.9688 0 380091 0 1765008 1306720 1081185 992226 649920 402023 519742 647693 1473686 1082122 998852 775886 714874 307326 0 0 0 0 666607 1560537 658051 0 1436406 1527761 585957 0 0 0 0 0 333931 0 876815 994501 418998 0 0 859289 0 568041 1077397 537871 0 1290482
saccharin 834383 364175 431833 0 116430.0078 59821 782207 517901 115894 0 0 61779012 0 0 0 0 0 0 0 2196355 165841.0156 0 67743 0 3920836 184009 116556 125359 0 0 1676420.875 254293 55145 39623 169951 266301 0 0 330705 71457 0 0 311976 0 0 0 90630256 0 0 0 782480 57607 479141 1825993 81376 0 140741 163724 2321625 837432 0 0 0 0 108650 337014 231607.0156 680047
saccharopine 530060 0 1141374 1410245 110338 0 0 0 72907 384336.9688 0 0 76921 127207 42103 0 0 0 110769 0 734410 0 0 101160 506248 426568 228288 292218 200395 157365 164979.9844 40532.0039 568644 100684 8590859 840252 175036 0 475755 490061.9688 695434 1644905 0 0 435626 0 72518 148183 152279 810020 396367 844641 144867 0 210084.0156 1149424 331094 385072 71471 187049 0 0 128346 1112431 2789528.25 2801710 144689 101374
salicylate 1790838.125 1604421 1091321 596976 271358 393459 2523638 473430 6782716.5 8993496 1058828 2248956 1178826 2527929 575553 1151825 1715346 1139109 466487 1607824.875 2807236 1324554 0 0 564240 594646 1630519.875 0 723026 382097 4157538.25 909810 786777.0625 916554 0 834036 2334884 2361333 477811 523407 513458 1530954.875 5073616 12315553 11065779 2094480 2617267 470127 0 0 1022599 2066555 0 2410594 822460 0 925153 493000.9688 1088750 3312348 1126825 2506328 494170 764419 1555847 1199769 4696358 5446897
S-allylcysteine 107497.9922 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 155520 0 439275.0313 0 0 163490 0 0 0 0 0 0 0 0 0 0 0 0 45982 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 48373 0 0 0 0 0 286139 0 0 0 0 0 0
sarcosine 1577468 1343846 0 0 0 1810180.875 0 0 215825 1774396 2146765 0 1267831 1651035.875 298766 0 0 0 605574 535292 1409141 1171606 0 1369607 0 522457 1162491 454585 1999449 861821 2903853 401592 267879 732614 883295 1179487 836893 405191.0313 5629075 1908278 1808618.125 4045182 22816560 8350274.5 5205063 2823032 2133666 1176076 630441 1706503 1632696.875 4869450 2807237 13187584 0 2442949 0 1654239.875 836098 2847624 0 674835 1117329 0 3271651 4218894 0 15949525
S-carboxymethyl-L-cysteine 0 149967 0 0 0 91895 90354 0 584714 0 108364 55819 0 194722 0 0 0 0 0 94481 224730 718956 0 0 0 0 0 0 68060 0 0 192337 0 57274.9961 0 0 216483 431684.9688 804198 346721 0 0 921615 1889264.125 115617 0 93838 0 48529 1764021 669997 1389808 578425 604486 0 0 0 65878 0 356928 308487 1872129 0 0 209595.0156 255445 0 0
sebacate (C10-DC) 5149383 734736 677120 1191646 4790459 1099399 1045760 427343 944442.0625 3427484.75 1884904 1363603 1242768 8783706 276220 919454.0625 5430488 1799789.875 2143480 2147935 568390 699052 1801560 3619810 7506048.5 3650076 2316718 1291710 1174761 1826748.125 1281729 2037237 1258095 1689052 3442867 7577875 754071 847601 1706160 1441354 2486934 4908371 499855 773953 4303356 4821382 2083874 2901618 3570215 118373 886370 245830 1421806 813507 5339030 850205 2778609 3095622 1900267 2885363 1217802 863765.9375 460134 2675080 791379 453231 0 0
secoisolariciresinol 0 35866 0 0 0 0 0 493951 49574 0 0 0 0 82745 0 0 0 0 0 0 0 0 0 0 0 0 0 0 40624 0 0 0 0 0 0 0 23701 0 0 239280 0 0 0 0 50323 0 0 0 0 0 0 250556 179038 65890 2785131 2042962.125 0 0 0 23521 0 0 0 0 0 0 0 0
secoisolariciresinol diglucoside 0 0 0 0 0 0 0 50090 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 557342 0 0 0 0 0 0 0 0 0 0 0 0 246997 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
sedoheptulose 4606027 2290923 2098560 1719467 4409594 3759510 7727075 4435928 2569134 3201639 3615400 1847931 5089845 6822093 1195325 2103284 1548962 4413140 751430 3803986 4555915 2346170 4915614 2609242 0 2581796 4946438 4036445 4088277 4828421 2209601 5083863 6929918 14550443 0 1606641 4444189 4036702 1762520 2744634 5585068 1408500 2564918 3109347 8065054 8417702 3131725 2573007 2112363 0 4713450 13805495 3418115 5031957 1542408 1588146 26620272 28975128 6841136 3877203 2002385 3842856 763857 857606 21650780 19257656 7996261 4159296.25
serine 168571136 31333624 94779008 81966880 103982616 101668976 103480960 112548144 158544880 201004624 100523440 117442640 103196248 109722376 51397084 57855460 75542688 75813568 127818552 133487704 127630296 126877584 108568152 124745808 23764498 165395712 117457088 104928048 86197640 66193168 80362208 134593040 105369216 89458248 70507944 55220204 201167664 207430480 163018960 110244648 62524248 72297504 213471904 295021440 67624128 89768624 324229472 224327680 134289232 607974016 225275600 95200696 193121872 188561424 100700832 44813964 113628232 132337768 125683160 42190044 147610848 232704928 37291228 61400608 61146764 162293344 104027808 95686656
serotonin 487721 983850 422290 622597 627385 1030977 1285103 339566 1220476 620457 1138385 645745 7742304 31279920 1610811 438010 334621 359353 945714 868647 532589 582942 468646 175247.9844 0 769187.0625 1253915 811948 580343 0 286858 494152 192777 968354 0 665206 268815 9049799 1357055 1883291.875 1166176 1501108 0 163686 271057 338523 833193.9375 483350 341682 18234156 629236 124078 1146265 564549 590371 2114579 364552 211041 570318 384004 912180 269189 2218604 1285574 994288 1190592 135996 0
sertraline 0 0 0 0 0 0 0 0 0 0 0 0 199507344 402923 0 0 58879772 37112464 0 0 0 0 0 0 0 0 0 0 0 0 120303472 90956096 0 0 0 0 101371400 213265072 0 0 0 0 0 0 55677 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
silibinin 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
sitostanol 7332811 524345 2579738 2026077 3733361 0 0 0 710274 2581247 0 682085 0 0 1525258.875 1372068 2165921 274468 10666117 2007127 0 0 0 0 1648825.875 959666 3412936 4135779 7188780 7004545 0 0 7890302 5958729 2814383 1725453 0 0 1511110 2283441 5631530 2776686 0 0 0 792466 0 0 1528161 0 0 0 0 0 4918989 5765718 6476744 9246688 0 1765921 0 0 3298939 5029076 0 0 0 459813
skatol 58676 35287 52125 212580.9844 0 0 0 0 0 0 0 18363 0 0 313913 275099 88460 0 119859 0 0 0 0 0 1152987 0 0 0 992856 1364938 0 0 43608 0 264659 675505 0 0 0 137416 171381 149104 0 0 0 0 31699.002 116058.0078 0 0 0 0 0 0 0 64525 0 0 0 0 0 0 61424 211126 262911 0 0 0
S-methylcysteine 89673 0 0 0 0 75756 0 198878 0 0 185405 0 0 0 0 38620 0 0 49694 0 1145216 212181 80190 285760 212929 66816 72033 0 56695 0 169199 67909 71087 40528 0 0 0 0 60500 0 0 103947 213846 283366 0 0 52919 51393 95017 603982 107323 235136 0 0 89901 0 37767 147972 0 0 0 154496 0 0 58315 87547 49372 263564
S-methylmethionine 0 0 0 0 196054 0 0 584472 332907 148910 109551 319672 0 113900.9922 0 0 0 0 0 0 0 0 2118740 396664 0 0 426674 69806 0 0 0 86683 0 364124.0313 0 0 0 1413918 344825 326652 0 0 0 0 0 0 339411 1007564 0 260719 1095608 0 765063 103577.9922 0 0 729052 335670.9688 0 0 0 0 0 0 0 613691 606833 274998
solanidine 89477584 601916 899109 772583 58868436 163172976 18247052 10818030 498536064 101120680 444861952 337641600 215935 120988 32239512 10899863 119452520 4538921 185537600 21037970 0 0 16192952 25826584 0 5990425 5006712 0 302575872 94700144 31791272 95022208 5184452 2427544 16128622 38208420 281884 0 6602501 24529264 68714488 2834135 4754976 1442089 39202644 0 341130272 16347665 65208272 0 1558611 1581825.875 8396473 2760604 0 8407928 23322932 273570464 1002178 143176528 192896608 821274.0625 0 210407 32484044 0 30844848 153610592
spermidine 6737311 741723 842386 483032 4276669 11479411 346233 370996 50489376 43760340 845061 1560611 1095797 3020891 0 0 966911 1307773 1083427 1360139 12351041 12138729 1480061 1757366 12307976 13188599 13219361 7890414.5 5379110 5953513 431665 394760 3873549.25 6108972 1526849 1704327 10606984 3261329 2403425 1865735 3621190 712537 1919442 4754508 638877 233814 9133750 2084512 3231106.25 0 18023256 9856471 1229173 727313 106222.0078 0 1931380 5996515 2080565 2484196 843176 3939378 433490 787320 10360680 8857997 35915240 36082512
sphingadienine 1048264 2055473 1243545 0 1411535 5349856 4059998.25 5459570 14560156 18969368 5459585 6365225 6774936 22384492 1094013 2807790 0 0 3926445 9040847 6740639 11530581 7887870 6913218 361897 988513.9375 7553566 7144765 3035848 630578 1533857 4137679 257889.0156 3299237 145923 0 7715249.5 25866984 0 0 0 497955.0313 1435338 4683839 4314988 2889956 8609515 5301097 3905082.75 3375734 7028303 4015447 3848603 2614534 34178336 38173832 4521412 2043133.125 3530240 8508246 25930650 14342772 0 0 4111691.25 1562311 874222 0
sphinganine 20189544 10677864 158646240 122775360 11094439 74956376 36862252 35652000 103753488 120779752 77575208 27256544 27437960 59915184 84131960 96247976 25815416 5386353.5 65845816 73264128 74075712 71419456 99504432 105588624 7978627 21255584 98834968 184968672 39457512 36957264 38889628 56379356 14005015 20060320 16604369 9062068 72061760 60751292 14984092 7876899 7296572 12313743 23967168 50908432 18520420 25064324 39247768 66672256 41795372 11851188 72383152 45227540 71191912 57114412 122547768 166518368 63705980 65380264 24099000 8875527 62793260 37336936 7227035.5 8920584 53645652 41133324 26159208 11798907
sphingosine 9756407 15734948 11818128 10137037 6205267 25666928 11310130 8416429 103862104 103403600 42570200 11794523 39870028 83776296 24311884 14276026 741374 1739902 14996066 53325204 90418048 69594768 88503736 84000424 1514906 7290946 53796372 109882824 20917188 10899915 30410656 30537196 5467997 18722312 1842298 1767013 29566332 43907188 2722253 1113456 1956183 1898665 11578896 54841972 16798040 8454606 27541264 27847164 1819075 35986300 37638696 29558880 63738704 7429448 83516408 89394216 18260504 29876872 24256268 11074523 19503618 13036446 1933347 795256 27548474 37726024 14557050 5091564
stachydrine 27319346 32135102 254460496 6315718 61123912 120612496 3003350 5059404 49671760 201918272 18591260 8984327 18028892 41618228 4286857 3042366 10085121 10043277 185034064 26130928 75891120 17160318 2394337 6454165 6012824 22547338 197658752 871963840 80798776 40138864 173906096 96337496 121197936 223396928 580718 7422803 119061952 40170948 12964966 35377716 8290179.5 112581464 37132972 105317472 19966812 9182220 32152112 16011431 10434479 5817139 79861736 49441984 7896251.5 7307512 6803321 1721716 265329536 122717568 136706704 117237224 6219133 143092928 3881798 4705767 97243960 85781096 8925951 20358284
stearate (18:0) 2334438400 2879311872 4872185344 6205954560 4524453376 5279057408 5195160064 1670275840 2182837760 1719653632 1208178560 5458094080 9723423744 3212751360 5053123584 5809372672 1160538240 487067168 3927560960 5589946368 462217344 171335568 4337732608 6158099968 556339328 2600115968 731591744 1766280192 2927321600 5212021248 6356312064 5808574464 10619999232 14139520000 10335864832 9754250240 5276950528 3439979008 2605164544 11356761088 12926049280 11630723072 544896064 16374115328 3182209536 5165986304 840424320 5707814912 3019392512 2139100160 2721416448 1977749888 4870551552 1696210944 2102277376 7714078208 9252641792 3653572352 4505889280 368663552 4322703872 3987539200 8374817792 11406973952 408731104 8954199040 4350288384 5673752064
stearidonate (18:4n3) 391165 194389 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 565191 6778739 0 0 0 0 137799 0 0 0 0 0 0 0 0 0 132007 91529 0 0 0 0 0 0 0 24572610 1393983 0 0 0 181653 0 0 0 28674116 0 0 0 0 0 0 563879 0 0 382442 0 0 0
stearoyl ethanolamide 4840523 4246026 46460116 55573292 6206881 10862893 5784132 17253942 13496493 7488837 5362438 28162976 6092794 14288343 23111048 21195430 573176 1049582 1382206 3393974 40642128 46605832 124730472 26241456 690353 10357047 3538443 8194590.5 10770375 17304874 12850514 40067592 3118864 8849705 660297 2882264 24984460 13739531 13743118 9621439 755807 673538 7691598.5 17906988 27499828 3847016 7499087 19976220 26281108 1835122 13599912 7062625 12639640 5136458 11135937 12957908 5454797 21999906 4228145 4020571 12456947 13753276 551140 645191 6847048 9067526 6571050 2347697
stearoylcarnitine (C18) 1111028 1069593 18476728 28767208 3426056 5759209 9072284 1235793 13211036 8828101 3704975.25 3348552 5192163.5 8439388 2745371 5305152 463712 461081 4333873 4604250 15145028 9981225 8206473 16520419 193814 366720 2945786 3523976 1978716.875 3279221 14395721 19413544 4712224 7014986 1631813 2462763 14617933 14634126 2941787 2747096 4044366 869176 2988760 10959557 5286131.5 775487 9755699 10941691 660344 5106518 5170459 5153211 4040838 1506227 451447 606846 3887641 4804651 8882644 4359718 7106513 4278417 440543 172120 4384786 4237079 1334233 1297341
steviol 82782 11684509 0 0 9450185 0 0 2774840 3740012 9943637 51710 580572 0 168210 0 0 5688437 6094971 498269 1285514 5991875 2311267 53285 137152 344452 126387.0078 286975 0 0 0 2895440 119584.9922 0 262897 0 173843 0 91970 2951388 498599 942399 304576 627150 0 5559203 111498.9922 806674 55678.9961 0 0 8856460 904547.9375 124269 1483885 132428520 66035644 0 2857069 0 2809886 0 0 105653 1045613 0 0 0 0
stigmasterol 2210479 1844425.125 14985589 12876723 1602054 3284501 6070776 2895364 2894824 3674535 7818719 9286246 3558342 2650225 6642586 9964245 3870561 1732758.125 2693392 4123460.25 2188160 3180773 7553382.5 6944446 2827679 4990576 3436302 1349438 1433691 1189906 5402539 10200879 1144491 1282763 11475099 10316465 2399849 3384449 5123139 2126567 587867 465293.9688 2167843 3654983 5732934 5361703 3684207.75 4003882.25 4036688.25 1722009 3437219 3405317.25 3200167 4205100 1093613 517519 1351668 2391503 6359785 2427204 4458654 1907272 1828805.875 840555 7526027.5 986158.0625 3005684 2973188
suberate (C8-DC) 6257019 977618 1398710 1385512 3869540 1408444.125 3166187 960212 1325298 4468064 3558943 2311179 2307525 1697498 1316268 3338000 5431924 1588466.125 5097387 3016415 1006671 1504839 2815453 7382683 5461482.5 3198669 3288146 3207117 2334488 2788685 2404908 3275120 1419697 3014814.25 5175751 6198248.5 1049514 734923 2251421 3028214 7009984 11191627 985012.9375 1123594 2874786 5404803.5 2016341.875 2735107.75 2053314 529352 1041647 673733 1473657 1601834 3526152 3312162 2169351 5237684 1706672 2212577 1747416 5903729.5 2723872 4851450 2289892 1868166 869978 547015
succinate 112727864 14412286 62261656 29835142 41928236 56266316 229114336 122576536 25526566 62788800 53708824 74204328 4057244 37805460 6343439 11338638 56810864 53071224 30758162 72586656 1081356032 1005032000 40100048 18900532 75913528 91640360 127392688 164089216 80796664 24178514 84803192 155449856 98269608 57533960 64244784 138429264 3357600768 1346143104 36710628 28634748 24097010 58041408 1179381120 257699744 5144801 23516464 11933775 142750800 38812088 21462390 49379452 2336723456 752728704 1466749568 67782616 18081012 88894288 180705680 88988464 800974784 75771368 141524624 41719556 39752204 75532464 78634976 0 38050
succinimide 530329 228822 1384700 889981 451205 314760 386468 409727 624387 911846 528822 810115 323493 666857 241065 215287 392935 330327 784620 812765 682660 617460 668146 473526 745305 494587 504579 649761 377595 308305 568071 730166 747859 317069 552436 571297 1114996 965229 420033 249278 267076 372250 780486 618659 443908 487495 801059 556056 547029 0 666241 854511 687529 879020 541650 270926 593224 510506 261070 962538 551843 945609 220681 349734 731151 725494 194496 350910
succinylcarnitine (C4-DC) 0 0 0 1687265 4127524 3786769 0 0 5873786 11006526 0 540660 0 0 189397 0 610918 541359 0 0 6692637 11093123 0 1631155 2660467 1919565.125 0 0 2075878 2452012 1514169 2996378 0 554487 658206 609897 2473793 951912 0 782398 1156442 1775418 2181330 542583 1779451 94377 4100416 33125200 0 916197 45771840 13330561 2808069 1724673 0 0 1199622 1870813 0 569845 2520815 2618609 1720276 2140953 2835757 7881113 0 0
sucralose 2706671 0 456547616 601504320 1702289 18513024 304305 1016721 0 0 0 2444695 732401 147996384 150248064 434199648 9913618 14038157 0 95432 2268264 0 7973534.5 94889 3350358 10715927 3114581 22684260 21262 195042 16068002 5064534 581571648 86076144 6923642 51027200 1240597 0 2293356 162180 152239264 4195637 666129 4864401 35181176 197379 0 0 50881084 111810880 26363272 421933 0 0 7086131 1117252 2273711 120295592 146588 2202762 0 0 24882708 20496444 4353778 0 0 437248
sucrose 382120 102237 0 157091 1471588 0 74226 538320 1727743 147513 0 139440 967521 1611720 151978 263862 0 190236 0 96188 1975098 1830571 66661 54401 0 368956 157787 87246 244510.0156 0 0 0 144538 180856 0 0 704079 3093872 971408 0 0 0 305706 0 1998971.125 1631540 69255 0 0 25721268 238326 7581342 0 722031 73263 0 1207401 3020992 129867 3242087 0 0 0 0 0 0 288790 205807
sulfate* 19240418 8521922 38692440 4267160 6609998 36396428 7597954 5181934 22429180 15779427 12259290 4097932 37900440 30710864 3144811 2909292 4802686 5825649 1648107 1850289 6114559 3396386 5385197 2684706 6965839 7589302 31248504 7891156 4780683 1952372.875 17495124 16170319 11110030 15448097 3111195.75 8238463 0 4500377 9841720 9868122 1643192 12180628 9970951 10683551 43486944 14039366 23801960 5195887 2616534 1410026 6599971.5 7784086 22941320 40591652 7866550 2926058 18398184 13918236 8112984 31190700 5952544.5 5350832 2300019 2234980 91373120 22341764 561353 595009
syringic acid 159361 161612 128075 0 0 0 0 0 632831 122564 91544 0 1610680.875 133147 110404 63426 153221 0 0 0 0 0 0 0 0 0 207961 125391 59017.0039 67407 0 89331 0 74339 0 0 553262 294927 0 316550.0313 1035400 183642 381196 212696 0 0 0 0 0 74289 2641072 2500810 0 432754 0 269417 0 71106 0 318144 0 936971 0 162462 122656.9922 108174 327217 0
tartarate 205670 187335 150507 0 0 111155 178978 0 224061 346163 98073 0 179152 426016.9688 214021 0 172725 317598 0 191601 0 95978 0 201538 221985.0156 188701 0 0 97917 0 54365.0039 0 0 210658 151867 0 0 0 227953 268032 0 0 0 255772 955263 226489 81934 333542 690235 9704741 314734 0 0 0 210067 0 143701 0 181536 0 261520 324337 0 0 0 0 104346.0078 162783
taurine 1172403 716784 11401732 1089436 1463345 84960392 283195168 103021688 2443816 2719214 4169877 837109 6125909 38750704 2159614 193163 226283 3564742 1174814 1751372 257944144 355168608 308048832 319124992 1721206 71528704 2029517.125 2174157 26777630 1105526 864292.9375 5164089 3460626 16136185 399033.9688 400257.0313 15700404 1600639 232463536 1190932 1169851 10934906 147479824 171128800 13988209 998581 3942078 3885036.75 132528 9799074 391871136 265531760 198126384 124931832 123126424 68179 3824926 5433139 70880480 44279464 119124048 140989904 183086 426272 3102826 16451237 945927 777917
taurochenodeoxycholate 240798 610342.9375 0 0 0 0 1098347 232910 0 0 0 0 381132 1753675 0 0 0 87479 0 0 0 0 0 0 95191 0 0 0 0 0 0 0 98435 1549631 0 0 0 276449 0 0 108827 0 12007939 8972142 212097 77575 984813 1513492 0 87564784 8216679 4648873 3726305 5766850 0 0 0 0 235320 1736151 787870 5752865 0 0 0 496705 5557858.5 1383599
taurocholate 284107 369206 164124 88942 142820 209033 2381158 338781 144921 93749 271711 115554 107992 1393949 0 0 25721 3169709 26823 39573 0 191305 0 316858 111071 43134 0 55519 0 0 0 0 0 3658321 0 0 0 53088 363695 0 74550 0 2685813 61468180 179085 95736 711693 809798 84125 264644544 97753912 29654812 23579132 43945636 88599 0 394430 0 83261 353914 407737 6009862 0 0 0 214579 0 0
taurocholenate sulfate 0 50292 0 0 0 0 3963366 249793.0156 0 0 0 0 21730 102763.0078 0 0 0 0 0 0 761991.9375 534482 71380 148177 0 0 0 0 0 0 0 0 0 36544 0 0 0 51778.0039 171816 0 0 0 4361023 639266 0 0 123119 0 0 50930744 5742938 6110325 4307113 6618310.5 0 0 0 0 0 1015095 284174 3200528 0 0 0 94017 0 0
taurodeoxycholate 397763 1456826 0 0 325447 2028122.125 8679000 3633178 0 0 0 0 493113.9688 2458609 0 0 35633 2891168.25 0 0 10685208 16962688 20417136 27829122 363650 227414 0 0 0 0 0 0 0 2791412 0 294169 0 0 3386963 0 265628 152815 0 0 1040201 341776 2959693 3210691 0 71524856 0 0 27287840 37572856 1825736.875 0 0 0 697192 15034391 444737.0313 6037516 0 0 0 567899 0 0
taurolithocholate 3-sulfate 0 95572 0 0 0 91125.9922 1838624.125 0 0 0 0 0 27366.998 281930 0 0 0 0 0 0 269241 744053 350682 550885 0 0 0 0 0 0 0 0 0 26916.998 0 0 0 0 0 0 0 0 174827 0 208914 97006 648581 0 0 17935668 60783.0039 306453 105902 255565 0 0 45595.0039 0 24214 2291059 52825 112325 0 0 0 281253 0 0
tauroursodeoxycholate 0 0 0 0 0 0 1062353 0 0 0 0 0 0 0 0 0 0 33184 0 0 0 151223 184495 239633 0 0 0 0 0 0 0 0 0 30712.002 0 0 0 0 0 0 0 0 1432585 1485064 0 0 0 118377 0 7207060 4353136 2261993 1164495 1404807 0 0 0 0 0 417226 172486.0156 564518 0 0 0 0 0 0
tetrahydrocortisone 0 78243 114782 0 203976 60140 155900 215479 104027.9922 124387.0078 371945 91316 111981 277835 59753 480701.9688 1117628 159730 0 0 0 0 177630 317910 28344 519767.9688 65740 0 89931 0 233557 454380 0 94236.0078 0 0 556408 0 298746 219382 136741 0 149041 0 1204003 336318 784425 371979 0 0 1159098 1381048 407669 2530181 215799.9844 46981 0 449561 382108 240007 1220130 316835 0 0 2095665 1647552.125 263585 441181
theanine 2277710 0 218629 143582 1943280 5381851 73068 0 651093 1103699 1032877.063 769636 0 0 164808 0 1047042 237814 578372 0 0 0 4428715 2159140 827212 931421 3057679 182176 1040699 458558 588872 1001682.063 658381 841704 1312176 1061371 0 0 743943 823050 742923 399156 12560365 384655 880656 0 0 0 2696330 0 0 0 1896787 683474 790803 641870 236426 2382080 0 1270317 2343147 426417 886964 578603 2632774 175575 1082310 2381176
theobromine 111127.0078 4240620 1780485 2845342 9512019 8508376 58738504 15035047 1990960 4123726 3187348 7787242.5 22603358 11795624 6680789 5050818 3774220 6060862 2274965 0 464605.0313 1089227 288691 1679359 1080277 0 576727 2292943 2078933 2473804 11574352 9210667 5216912 1272746 0 744797 9070146 18919584 2495225 2653829 357918 7469715 805800 8656547 31391330 51123484 16425803 2744733 0 21583864 5384115 6436511 541265 463600 364039 3151066 11050151 2156474 462276 14537602 29800536 969433.9375 0 472919 0 0 0 0
theophylline 1110556 1519308 1368535 1774032 1282060 1319585 777402 379507 1037130.938 962831 584739 990072.9375 1422981 1679924 1058382 2449471 2333180 2090191.125 0 133229 811582 1351878 359364 0 0 0 1029714 1406986 1064361 1249029 597451 725340 456407 0 712328 1148025 255079.0156 444698 883820 778898 590597 1002916 0 760680 441303 417710 744070 797061 0 1084529 365976 382991 772419 796089 0 1758925 742248 643482 1147095 1231916 369614 0 895520 1051431 702863 600437 0 309930
thiamin (Vitamin B1) 527092224 1248313 7114184 9843319 8692112 5833079 3610051 2433168 3207455 7320552 4088617 2835876 2875267 2113174 67108056 188227056 11445139 2559862 9717871 4629444 3506564 5111386 3642361 4223205 540921 6391130 8047611 74019368 336665376 1194241024 3669895.25 6609741.5 9322316 10647390 929227 2146351 3656861 3572417.25 8991371 6391743 1994453 7808850 2375793 5777207 689927 1348692 4201206 4552249 6215384 205880 7891909.5 2567332 3509262 4254042 1999810.125 2640029 6365942 9194008 138790304 3129679 7202210.5 5101333 1899432 67398800 11729976 25778514 3011827 129844
thioproline 167055 106569 502280 237523 0 98829 279413 62723.0039 194469 159493 584875 428350 128934.9922 880450 302458 205973 62254 70121 948037 647061 860625 293288 335973 623562 49305 194309.0156 0 452511 223743 249349 998116 658244 498903 400836 188788 106094 605218 275079 86569 126136.0078 0 0 392608.9688 0 106911 124257 434278 493330 153723 613625 407971.9688 4076423 427286 1762659 0 0 0 0 180005 229068.9844 189832 76660 96547 242497.9844 836683 345533 0 0
threonate 4633965 2199497 732989 630619 11545612 1293367 3095888 8122590.5 5731860 3314175 2180117 1735110 3645487 4627540 1216642 620526 4234828 1452218 1393063 2784062 1757398 2062032 0 935991.0625 2074686.875 1206371 2718432 1537035 862335.9375 667174 1307917 3209492 1734643 3752822.75 454631.9688 1079679 7943742.5 2842117 2352783 1715735.125 1342473 8597272 1565006 3182426 10893726 17146190 892913.9375 0 5451270 774497856 3385627 71615472 3500821 2103157 7133325 1160603 9694139 7196723 7564810 4860527 503193 4226155 457729 1006572.938 4889300 3496863 12629769 10784289
threonine 313356928 49446752 200404464 161508592 222875744 183924624 183977744 210140208 278446400 389534176 175929440 236124112 195171888 205399184 84574872 85383936 137918656 80617408 260911568 251508624 234037936 238961744 171497584 185029840 41287724 287628608 248489456 206861984 168436896 136984384 138861952 220968528 190854656 171974640 136728960 116482136 377058208 398285824 335065888 202082240 117737352 135512432 308343616 541858496 113034392 144066992 730287232 404361024 244867248 1626890496 381459584 331279840 430020160 453625760 181114768 67892512 242276000 259434320 244963120 86054304 226790560 451598720 62754352 121472968 168886160 352783520 204130752 173185600
threonylphenylalanine 861352.9375 394441 75654 71044 367873 357628 179083 296401 813887 756708 725636.0625 605262 279954 492567 440648.0313 320611 590143 483478 534164 992156 283361 73383 1203236 1030041 1106254 329410 170514 111023.0078 234359 59887 1389669 2281395 1228397 1097290 288994 194880 321703 343312 127197.9922 141769 378900 219642 1167284 1981777 349526 437059 243989 190033 1291170 69215 2532840 1745254 0 999204 418842.9688 209518 247558 515561.0313 361136 451290 341978 135689 114118 95240 630142 165413 875492 748114
thymidine 13709725 4357441 2015065 2667028 12598712 7773869 8816782 12915794 16508672 23133904 6735292 5695377 3309715.25 7890109 3113222 2942484 3679737 2308806 3680090.75 6368116 9067426 6168233 8425999 4202643 385064 24871492 9796852 10721731 3091645 3153465 2799143 4976779 4269338 3665784 270050 4736446 12488694 16307205 6360249 2017930 1531317 757193 9537734 10596069 12179680 6440058.5 9564377 343146 3982950 2597233 13920082 7517667 28545080 19404468 7579312 2695990 13845272 6499877.5 5345796 4962773 1533259 4549199 1110585 382030 10433684 7702177 6185727 6068423
thymine 9302905 547940 1442829 5507040 18814262 6148442 2207353 4188478 3104516 5570490 3735944 5107115 4991138 6538569 1079790 2540471 2452541 1752510.875 14286537 8042504 4139017 2453661 9132611 2463214 178630 14154258 9059507 9897991 10348620 11611591 5077535 6198996 9387942 12342305 970537.0625 4675553 2550189.25 4650203 1816647 1176964 1240136 992708 2438382 6844863 2909887 2840675 3964049 1729086 1398862 669861 3210082 4594646 6013860 4843708 4542254 1387762 36540400 42217448 6652346 2644032 1586043 2028628 1504712 1361993 12246497 21931322 5687337 4083185
tiglylcarnitine (C5:1-DC) 0 0 0 0 435428 0 0 0 0 0 240885 707106 0 614521 0 0 126402 0 884367 102294 0 0 0 0 2426024 0 98024 336830 0 153998 0 0 0 0 208293.9844 56950.9961 0 90148 0 0 50840 221649 0 0 0 0 0 0 1752063.125 9214058 0 541851 0 0 198572 0 0 0 0 0 0 0 0 494983.0313 1476852 1077968 0 0
thymidine 5'-monophosphate 129291.9922 30492.002 0 64873.0039 466130 0 421384 78860 56633 75654 1155604 404432 2935836 3538799.25 95901 175809 33387 2801425 245076 120684 416509 90546 808586 53549 0 624262 102494 181239 192293 421690 55665.0039 143359 356367 102120 0 494931 195519 63729 83779 0 30582 0 1143348 526792 3259022 1990384.125 47138 0 0 76279 42489 178222 23269 666252 860000 55546.9961 120450 304848 3009020 770822 144038 153669 76027 0 647844 68790 0 0
trans-nonadecenoate (tr 19:1)* 9394076 6217406 19529724 18947066 14705765 10677766 6189472 5482547 4653602 2397164 7079988 21597698 26753980 6000472 7985790 10534952 2498942 0 7072002.5 14697372 1851082 1421551 16254133 34046312 4360314 13556882 1018213.063 8270879.5 9247104 9768231 6989198 18893880 21995780 35450140 58684432 25190666 10658640 3652314 7053524 25978320 28455878 68637392 0 117105552 0 0 2488965 21108318 94576240 1218963 16913140 4785082 26861264 4021219 0 19077424 0 7454287 8009695 827049 0 27092786 11140256 25826608 1677611.125 25757044 14957722 23828000
trans-urocanate 120231832 5440554 14231968 13734478 48561080 46842000 19682496 33675580 51340260 56271176 30348936 39202056 42007576 34275952 10172228 16708353 39144056 16761500 61852584 45192352 41878436 31467208 24131612 35216808 17633018 47781928 35779132 31681820 34125328 30195368 23811728 48838756 43439100 33882416 64648088 60197976 36307892 51786904 77047504 26140078 25361468 37033748 13790099 43698640 10923379 14005735 79923152 80125840 48445376 7578771 105956648 37412832 87396112 61419144 26817672 6119396 51916324 61865412 72570048 8972397 25522320 47730776 17839280 27026640 18301208 40179728 42238004 46347264
trazadone 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
tribuloside 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 70991 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1913263 0 0 0 0 0 0 0 0 382908 0 0
tricarballylate 11332455 1907466 60355684 14221080 3097281 30043448 123403944 128689376 18551200 15522775 29510100 15225265 484905856 137599552 16539608 32183980 12067128 24601736 14417381 67200416 1533198 0 15633778 5783719 10370201 5959984 67865248 74424424 7080726 10046379 40778072 75631488 50819752 70776744 11289145 7065285 10311326 6556032 54104296 106590424 90682936 58220680 14880395 5349480 192373072 119372800 14936589 9732685 21367932 0 9907475 14646223 11077586 56146200 20608092 39941552 145599040 198550112 15662543 16416739 84203824 21295384 41059920 19851020 28895392 4663560 20216 42120.0039
tridecanedioate (C13-DC) 0 0 0 0 0 0 0 0 0 879291 0 0 0 0 0 0 1079394 0 0 0 0 0 0 0 809134 795383 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1640975 0 0 0 0 0 0 0 0 0 0 0 0 0
trigonelline (N'-methylnicotinate) 8743911 4853299 2225235 656986 64320540 104893288 4900979 1184216 2004932 2849583 2304430 198510 1011232 6390142 106153888 1078414 620625 464694 371001 4467756 84688064 160576320 7226282 8966671 0 1111119 753578 305769 3601231 2423375 464547 456451.0313 1409350 13720964 407637 415760.0313 39126856 254171504 61581232 98657400 795886 108004592 9172768 6219968 5471008 46480512 13569991 60372712 23653324 28458374 7893336 4694668 67134416 20844170 49649512 109442400 3835442 1147507 70520824 16403561 18180216 22981836 1151942 1934623 18182340 21379988 14616985 50020756
trimethylamine N-oxide 1851350 2032482 1157387 1230656 1124565 2250609 16095985 4728111 1409468 1442670 1775016.875 1383961 1430009 1725112.875 1279074 0 1047621 0 1332173 609161 28946020 7773822.5 1026177 1538234 659362 994556.0625 3713066 1718434 2329256 873931.0625 1595299 1722507 1664708 1645867 1024809 1353237 16128341 5532137 1315262 1178151 0 1982801 8713628 1421706 2011277 1381935 11193856 4024867.75 1441811 904097 9855295 17605696 2904499 5027148 1139053 1088978 1810849.125 2111437 1839160 3497298.25 6736313 7575913 907600.0625 1224927 3958902 2406412 1127220 1483774
tryptamine 0 73222 2405858 1231907 0 0 1234524 375305 7446854.5 4807598 2435075 724683 0 0 110688.9922 265629 0 150504 0 411256 33518818 14945535 1184689 5195586 0 170212 154260 0 0 0 2686380 11975068 0 186008 1953619 1395732 77731432 11664006 3921712.25 465156 0 0 0 0 301292 0 13682727 8480156 179548 0 45856968 83300160 4566573 3058362 0 0 94854 0 198902 276080 4264991 2851885 0 0 5696660 1770740.125 0 0
tryptophan 125248504 24800136 79134424 60214976 83081696 97865184 100353728 118994152 163930496 176640224 109985576 103758016 92400512 88203152 56606800 52848192 53685656 62186352 97772048 109748856 100900296 97319400 110852544 140473632 17538344 131896088 91060304 74291424 48125460 38746476 80199976 128591496 83938944 80988312 37848760 37486828 425499168 189199936 130113880 86755400 46616440 44106448 410566432 270388128 58918412 76327544 274526272 210616224 129309808 653837440 337355392 579522176 176380064 171753424 86323784 34810856 88630968 110461160 97408912 43041260 123422464 201170224 25894920 46337216 61284372 140704528 43032564 37639856
tryptophan betaine 0 1198480 655266 395240.9688 2573793 2285563 8123452 4196622 0 0 0 0 0 0 0 0 0 0 1900544 0 1587094 1333670 6128067 8824406 0 0 0 1348492 0 336532 0 0 0 0 0 901073.9375 0 0 6889771.5 667929 0 1437469 32693344 11799329 6947834 3359148 2367595 12159404 0 7086387.5 0 0 2842211 4951735 0 582456 0 0 0 1449865 2406340 1411831.125 4349468 0 0 0 4421584 4711687
tryptophylglycine 274537 221828 0 0 210192.0156 288324 356790 392363 460827 383506.9688 1414249 1419545 277138 600796 771974 364775 127103 255337 298241 865810 793023.9375 181213 4867497 2268301 264001 136197 149480 145935 450491.9688 0 1011624.063 2482861 1617875 1239981 0 0 1247380 1146467 173451 0 114992 0 710750 1221327 700375 361306 436465 342184 608143 438251 1856184 2405164 68547 1298655 167448 114259.0078 216108 196076 461368 582547 736146 170019 326613 0 634913 236760 897639 2107141
tyramine 2241008 654598 5704669 3065310 714769 1338661 2007390 1484452 10109443 4774951 2793809 854672 513386 2085748.125 248495 659880 395408.0313 436845 858858 1169796 37787724 14282028 933465 3436625 612194 796338 3346933 1021200.063 10948117 12485667 6125383 10195290 1393912 1656445 109125 490595 33154120 9995453 3598906 940300 1314777 1047916 9127462 594045 725345 249998 37183596 4861663 732347 0 12239546 47199788 4664243 1982293 361383.0313 635186 362672 745313 1727977 774517 3167520.75 3300816 456445.9688 362184 10861682 9949215 392321 621531
tyramine O-sulfate 12602950 2521744 56897904 18205788 598010 2446352 8986309 0 65757 2837973 615978 0 7373200.5 26897276 542585 4025677 869306 2223998 1634827.875 2019214 7461040 308230 2118533 383705 21715720 864425 1076224 199296 6098151.5 3074494 11588964 14137834 26109064 17898664 9737332 17918942 1163073 2095034 2582609 21293828 15702952 728728 5283452 6716735.5 1509920 0 192483.9844 0 84619184 190095 2827190 633107 4969581 55391.9961 0 67881 602779 1828065 3171170 1478047 2053523 0 4458461 2250844 1254658 821540 0 1731686.875
tyrosine 268090032 38509852 118372296 91849272 164023680 156143744 153033216 192533312 265701472 333070016 207679488 193289280 168741328 166645168 88707672 85360104 104775400 113308648 189419296 193535984 266911424 152201280 180004368 210135504 37800808 221258752 175129088 135936384 79197088 65171496 157670320 250047776 183406480 193804208 83643576 72097776 281091136 301330720 201358704 129755872 86942272 98355008 541434368 422892096 99735304 132783312 454194944 274498656 188999024 506775680 385646304 468549408 264908400 338781344 150977696 55604148 158582976 208864816 189206368 83940552 176687472 299325984 48168108 80014712 90412616 201469216 117396688 87160712
tyrosol 214639 118408 0 86971 193109 154726 331117 129399 178128 173608 347005 257391.9844 144585 376717 264748 67467 0 223380.0156 174677 222904 118127 141337 461385 311747 59984.0039 0 426755 155710 188156 52602 223681.9844 266219 310177 199025 0 0 350006 179011 254770 136850 0 0 931133 467171 206555 208820 278582 180939 152795 0 214382 100764 291774 4621657 126838.9922 75400 173163 233238.0156 268049 123687.0078 417736.0313 185106 76340 114074.0078 715800 444523 441009 116683
tyrosylglycine 98431 50291 0 0 248022 0 149560 63030 160007 97443.0078 354091 144631 195045 166666 142864 120482 170409 443648 254177 468794 339170 126365 704502 199951 168803 136368 90292 86051 28726 0 187777 464566 521709 571678 0 0 85248 219796 0 0 0 0 499028 469963 124966 132009 205859 43718 85906 99574 1519500 221012 34797 395002 114284 96207 121510 299957 241561 221431 198448 57080 0 0 306221 111211 317514 288051
undecanedioate (C11-DC) 9031887 452771 440989 550073 1471638 519363 796174 619405 817307 2303142 626473 741505 888867 720416 505495 782733 1924118.125 1272509 774461 1311767 539774 666295 886643 651732 3783376.25 1680974 1425655 1553831 347019 347425 777096 1324314 795846 958882 479063 1842295 440783 454291 848185 689765 520659.0313 1155777 208672 479234 1652255 1413443 1109055 1254070 2517239 138019 328027 196360 531613 343955 2797255 880191 1915771 1901516.125 650255 725397 1424741 1150580 197942 838051 1000409.938 430880 177110 106055
uracil 27162372 2422568 4609383 9322181 30346614 11221740 11773940 9292362 10696858 14731710 13884356 10267198 12616150 19201198 3473687.25 3942796 6156224 5917904 16966572 16696996 9351249 5832723 13715200 5549215 566835 19338728 19139360 19505324 19307810 17340616 6469837 12413897 17511526 24473632 5935239 13655237 5610787 12151054 4667369 4865844 7620924.5 7598933.5 21715960 35068140 13460720 11883871 9619898 7872486.5 6667411 1213835 12371030 6671509 20196734 19346066 14271881 3704762 54984120 69489984 15580841 9157382 6945267 9157044 2604999 3738525 24580026 34963292 20545338 13626684
urate 5899903 341963 1939841 5873023.5 2205502 1955930 7269327 8435531 2768555 2971661 1370174 3226424 2856049 1903832 1785651 1926391 2385326 753949 1551110 1208942 4679757 11231839 4761641 960074 2021405 4409444 3612045 2138795 1522046 798772 959175 1358343 5506783 6370298 965920 948186 679021 1489666 9673149 2084211 765044 12879890 14258714 46501128 884808.0625 550371 3111487 18490854 4253867 517216416 2139926 210781 2244882 634471 627771 736034 5165511 10466653 957908 250489 1047316 1201827 928353 2695034 400925 4744184 1074967 1177022
uridine 15459578 5179156 1416416 1073561 7326657.5 5101738 5657144 7878425 24005304 27936772 8539091 3987825 4809593 6770745 1962119 1130021 2981387 5081834 1819199.875 3104553 8559062 9909603 3586520 3314426 686361 11654725 6426826.5 4273231 1721635.875 1282004 854365.0625 2058143 3683886 3102532 403297.9688 1580221 12836131 17179640 4493189 2701115 4254923 3187645 8488011 24692288 11785402 7965716 9765284 1201977 438450 4489860 42418692 18928154 36307848 16517904 7385623 2187191 4959105 6615797 3727738 6281495 2885893 8552905 656316 321258 5033671 7502593 6568878.5 6734541.5
uridine-2',3'-cyclic monophosphate 583418 168640 32035.998 74562 448671 86810 383169 198395 337631 343772 692605 534733 285779 290032 31797 0 233348.0156 341616 38829 30855.002 312918 219503.0156 0 57807 0 157234 21576 0 73529 0 62904 113781 442365.9688 593232 21225 136116 353170 423188.0313 0 0 1004472.938 509925.9688 2028439.875 1976782 0 0 150798 45538 32122 0 840024 427886 366137 413303 108363 0 359424 1721902 548644 758821 56533.9961 184979 0 0 102632 593088 0 0
ursocholate 2511834 1723871.875 1926698 1183832 651116 13083593 62782552 11289584 8837566 985705 20087826 2343310 1097345 1504774 738652 735041 235938 273539 461204 438336 2143337 1502021 3743425 11119248 467225 868999 284468 651323 2694792 611769 967916 33780916 565628 1044766 530571 725747 3563448 6469648 584299 394617 232618 425462 4800255 65693772 662057 689847 12453654 19766608 3515503 241854.0156 704921344 395707584 128290968 26793004 330628 267810 3905490.75 2753742 297914 484845.0313 7501046 5704953 209274 420273 28101816 10276910 7673779 575937
ursodeoxycholate 17758100 7390151 34805600 14832469 3358964 15225110 234234112 19023124 26041760 38097024 58446532 10832146 6882027 10958420 9730843 7407085 0 4391241 7986995 23660022 75660696 40782396 15712801 100555904 0 0 7177135 15774870 34921372 13847221 9847223 54216060 2587436 8834332 0 0 12013150 16178743 3483292 0 0 0 36730388 161698848 3409523 2844375 88652944 33063668 2274161 792841 960839808 449410720 163968880 176894624 0 0 25263436 11556645 29519580 21417524 17877716 15720432 0 0 102380088 15977191 96371000 95629744
ursodeoxycholate sulfate (1) 610955 2150926 45087680 628094 112155 43864392 240183 61493 7433247 9667288 23571536 2757657 404408 0 54360264 60796456 0 96796 0 0 32899708 32787720 47543604 36466964 0 15872951 285415 580136 1186684 0 11843666 67401976 140991 180828 0 1351857 14490123 11473437 10762088 3981873 0 0 0 936459 850479 444240 19071904 24994556 124927 3257653 28608960 12005807 5294028 2930687 127017.9922 0 162499 50397 0 3304763 27039764 0 0 0 83053304 28028448 0 0
ursodeoxycholate sulfate (2) 77622 140572 392246 0 0 417229 2903904 2344876 5279904 2617669 5398653 2803687 0 0 9778912 8901054 80658 1042630 0 0 10045257 9138457 20517352 10698433 0 16267172 5296638 12375181 7768660 6627886 11821181 12003595 1442204 3686566 36897 955647 3993074.25 4016714.25 15859117 20968372 107733 506737 3345065 8698431 3968042 0 238187 11163889 7369244 235171 11386804 7654460 8488244 3746219 31917884 20866612 1899655 877598 743352 5081822 4486595 3874540 0 0 54717728 7695581 0 0
valerate (5:0) 26253396 4181610 18944032 11204016 23188784 21637958 6698288 6947405.5 75638416 90063608 21977016 20973280 23446068 100676096 7183334 3277611 26926328 7729483 17284096 16834748 5767148 2720494 5883424 2253931 28628852 22119824 50628956 38035200 46625324 25133104 10631886 44980188 37538600 24887062 5786220 15204213 27932108 42256732 13634424 6588493 8918701 17745832 2384531 21376064 19916910 9947507 88342280 28077330 4154404.25 2739334 9439522 2224200 62716732 3497124 31080376 10870851 39383468 26058338 16771049 17625160 7459809 4754381 1645518 16779564 93873824 43859980 51837956 60044908
valerylglycine 1126413 280469 431239 395972 820550 361986 387691 246807 651481 826302 547734 635582 696033 649784 222325 287652 426290 305249 337755 739478 508806 437896 437966 296157 216276 369576 462672 382904 566826 770454 368131 621292 463385 559304 458188 705381 376802 495149 409634 601992 633126 0 407493 809601 970864 563877 811037 633912 496162 221106 514834 452729 664117 404564 1035451.063 406367 1485928 982155 324632 480162 460608 779419 246167 578641 604228 703535 1068413 2753464
valerylphenylalanine 0 0 0 0 0 0 28420 0 0 0 227126 0 21842 0 0 0 20029 0 80830 0 64048 0 0 0 0 0 0 0 53660 0 26745 391372 0 53125 0 0 69808 72905 0 0 0 0 0 1778746 0 0 114180 0 0 0 0 0 0 0 0 0 0 34571 0 0 0 0 0 0 231719 108830 52265 34219
valine 657153280 63163300 309696256 270423072 394431936 310166944 331858048 374041824 549990848 761934016 429188704 419692416 328148768 363199392 139244160 132473032 260279104 125047360 474272800 458523232 1743373696 448177536 305553344 312130496 85996768 668154880 441290208 366427200 270284288 228863488 237081264 400783040 354117312 288815776 256860048 219404512 666293184 789011648 585771200 343992992 200333168 248155632 1561386496 1472076288 147352672 183027664 1530910720 790797760 468772352 947551040 798314048 1709433216 741542336 755758848 330253184 113953912 398198240 499268064 412426720 112837576 366961024 787763840 118424992 243098144 226060384 644026944 488780480 522640832
valine betaine 0 26820 156658 0 155344 163727 0 0 54491 59703 145288 45306 168394 131715 62892.9961 28605 36848 52806 30361 0 0 135196 153578 132720 0 43232 208494 60439.0039 25279 58972.9961 22092 0 102143 72722 0 0 178412 0 40328 0 0 0 0 0 0 0 135115 200008 145884 191573 39273 85789 0 0 0 0 114113 84142 45824 144377 75078 51466 0 0 71219 265669 61233 38123
valsartan 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
valylglutamine 1292711 879281 95549 0 666306 765403 1069833 980337 1957670 1669938 1715252 1140895 1326014 2178721 1145139 1506590.875 961411 2462575 2426549 2622829 2218468 340351 2494452 1934859 3178733 1461557 791065 501828 781156 329528 2805091 3678328 5215206.5 6515265 144916 215787 2771362 3525595 216493 390156 422446 409244 4110536 6836080 1577998 1836186 1709319 476238 1039670 1064628 18771028 1723658 0 3334828 531066 769989 781586 1621781 1103616 2710245 1124606 512163 273485 543631 1596564 576682 1447706 1818190.875
valylglycine 1110098 278591 145776 133222 624995 357218 522089.9688 582291 1387469 1263353 1924395 1363769 801028 1225272 840057.0625 460700 869360 967103.0625 3398890.25 2627596 2054652 430363.0313 2820783 1926778.875 486018 941422.0625 327743 334459 617249 146919 892325 2588023 2671231 2879432 234153 127024 1467132 1747315 336974 357465 537684 429323.9688 1111494 3306097 975782 1007680 1682699.875 694533 1072955 255579 5941289 2188038 370601 3301808.75 829561 552195 956197.0625 1625957.875 1359208 526128 1172170 520781 196615 178467 1314453 1124055 1807481.875 2204558
valylleucine 4789502 3642480 594632 741420 2674013 3685117 2418320 3098692 5164322 5304638 10601294 6693317 5055860 10136781 6271335 4024174 4163858.25 8373630.5 9490925 9898869 9392714 1785450 9287890 14971321 5509441 3136979 1581550 1242935 2432103 1166003 12284330 16236885 11632635 12856558 1321123 874195 11195452 5062887 1587482 1433657 2670904 2288421 6890621 21090366 6694553 6614574 2790744 2013747 7524914 0 28611838 28223052 1398006 21054028 3131698 2291026 2298582 3557831 7883318 8005509.5 5957463 1985498.875 927511 841783 7510656 3012700 4528585 5281588
vanillactate 196296 105143 77325 0 0 0 0 104286 0 0 0 0 0 0 0 0 0 52461 0 0 0 95472 0 187583 0 0 0 0 186251.0156 95401 0 95365 0 45573 0 0 185769 58276 109662 131370 0 0 0 0 118517 0 0 0 0 98500 393182 989198 0 202363 0 0 0 66320 0 167463 0 579193 0 0 260879 149431 0 0
vanillate 486047.0313 0 382171 0 249195.0156 557201 0 266051 513651 0 0 0 1948453 0 0 0 0 317976 575997 0 0 722777 0 0 0 0 693014 181578 191560 179468 0 225201 325978 252384 0 0 975544 841263 0 539174 458683 581224 1769091.125 1188783 267476 0 0 0 0 188201 960688 2193480 422721 2009769.875 0 429984 210165 0 143473 545781 0 1068788 0 0 0 1002918 353486 433871.9688
vanillin 638629 0 1658056 1899948.125 0 1311427 0 1820242 1454892 1950203.875 1789448 1715565 0 1590159 1293306 1873673 2271069 1368354 1912444.125 0 1551696 0 0 2287601 0 0 0 0 0 0 2270053 1325168 0 1501584 0 888538 0 2915918 1466134 1948391 1709657 0 0 7183392 1326611 0 0 0 0 379697 1573261 407505 0 0 0 0 0 331881 0 0 0 0 971623.0625 1096690 0 3315700 1915829 897580
xanthine 106651192 9013815 35004548 53382852 108440960 74715696 54622276 71626328 48440476 89893656 50999936 63041888 87693984 88971040 23240004 33854112 37246656 32662676 83040552 61378344 49856704 18297948 70810144 39322232 5322496 96328336 102975680 109961840 81293808 79617616 51120464 51037524 104901736 118666864 25801260 48569076 35373088 41167172 18712708 33828532 32638340 47862156 58653940 105049088 61421136 69965104 47632744 29166916 13860741 34343320 51084892 32747028 113765440 78067480 52944620 23008660 195677632 256496608 68810752 29457696 28162512 33093962 14005619 19940058 78659640 110171920 68323408 39122376
xanthosine 1065611 178401 73614 224634.9844 897173 251304 384529 252247.9844 467243 524835 626125 862091 528497 1054081 38808 41235 389490 488732 218310.0156 236645 679248 134755 1270252 204654 0 732171 369380 125480.0078 0 0 203892 610624 1540336 2668140 51115 414329 464227 421010 140760 183774 357443 660252 114862.9922 436152 718515 1482989 386885 438512.0313 0 265737 458698 143580 1504272 1304799 826747 106949.9922 2390388 2865854 678847 692988 186140 303809 60282 0 493338.0313 806111 182055 170673
xanthurenate 166296 339786 222637.9844 460649 0 0 0 0 0 0 0 0 827337 613632 0 0 0 0 667943 659944 0 0 0 0 0 0 0 0 0 0 0 0 174448 0 0 0 0 0 1456514 633662 321193 151277 68314 0 99750 0 0 0 0 88415 0 0 0 0 0 0 234342.0156 135985 0 0 534430 682656 297007 0 0 0 0 0
xylose 2615397 602061 2539792 3083977 11091827 5738476 3639598 6314626 4383502 6677718 3900413 3874092 6761512 17410712 0 1114390 4775385 2405563 1142636 1152882 2328907 874786 4121914.25 1596607 0 2558863 5282254 6538503 1624351 1134135 2312139 5891402 4696733 5752658 261811 1767957 10606777 4064953.25 330259 1566169 352688 451217 3478800 4492945 5060496 8838537 0 1845409 1109123 0 4285796 37857796 3306574 0 1607807 130345 4863192 5573751 12225832 12852466 1272452 0 364195 502024.0313 4486468 6885537 1728724 386569
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name SUPER PATHWAY SUB PATHWAY COMP ID PLATFORM CHEMICAL ID RI MASS CAS PUBCHEM KEGG Group HMDB
(15:0)-anacardic acid Xenobiotics Food Component/Plant 40719 LC/MS Neg 100003600 5895 347.25917 16611-84-0 167551 C10759
(15:2)-anacardic acid Xenobiotics Food Component/Plant 41397 LC/MS Neg 100003472 5565 343.22786 11034-77-8 11824131 HMDB33896
(R)-salsolinol Amino Acid Tyrosine Metabolism 38665 LC/MS Pos Early 100002814 2525 180.10191 70681-20-8 54456 C09642 HMDB05199
1-(1-enyl-oleoyl)-GPE (P-18:1)* Lipid Lysoplasmalogen 44621 LC/MS Pos Late 100005372 1566 464.3136
1-(1-enyl-palmitoyl)-GPE (P-16:0)* Lipid Lysoplasmalogen 39270 LC/MS Pos Late 100003000 1558 438.2979
1-(1-enyl-stearoyl)-GPE (P-18:0)* Lipid Lysoplasmalogen 39271 LC/MS Pos Late 100003001 1649 466.3292
1,2,3-benzenetriol sulfate (1) Xenobiotics Chemical 48761 LC/MS Neg 100006373 1453 204.98123
1,2,3-benzenetriol sulfate (2) Xenobiotics Chemical 48762 LC/MS Neg 100006374 1709 204.98123
1,2-dilinolenoyl-digalactosylglycerol (18:3/18:3) Xenobiotics Food Component/Plant 54892 LC/MS Pos Late 100009392 1941 954.61485
1,2-dilinolenoyl-galactosylglycerol (18:3/18:3)* Lipid Glycolipid Metabolism 54891 LC/MS Pos Late 100010877 2046 792.56203 5282287 C13871
1,2-dilinoleoyl-digalactosylglycerol (18:2/18:2)* Lipid Glycolipid Metabolism 54897 LC/MS Pos Late 100010873 2256 958.64615
1,2-dilinoleoyl-galactosylglycerol (18:2/18:2)* Lipid Glycolipid Metabolism 54899 LC/MS Pos Late 100010879 2415 796.59333 6535011
1,2-dilinoleoyl-GPC (18:2/18:2) Lipid Phosphatidylcholine (PC) 52603 LC/MS Pos Late 100008903 2006 782.56944 998-06-1 5288075 HMDB08138
1,2-dipalmitoyl-GPC (16:0/16:0) Lipid Phosphatidylcholine (PC) 19130 LC/MS Pos Late 100000657 2365 734.56944 63-89-8 452110 D03585 HMDB00564
1,3,7-trimethylurate Xenobiotics Xanthine Metabolism 34404 LC/MS Neg 100001397 1985 209.06801 5415-44-1 79437 C16361 HMDB02123
1,3-dimethylurate Xenobiotics Xanthine Metabolism 32391 LC/MS Neg 100001106 1671.4 195.05236 944-73-0 70346 HMDB01857
1,7-dimethylurate Xenobiotics Xanthine Metabolism 34400 LC/MS Neg 100001399 1578.6 195.05236 33868-03-0 91611 C16356 HMDB11103
10-heptadecenoate (17:1n7) Lipid Long Chain Fatty Acid 33971 LC/MS Neg 100001278 5555 267.23295 29743-97-3 5312435 HMDB60038
10-hydroxystearate Lipid Fatty Acid, Monohydroxy 47123 LC/MS Neg 100005852 5370 299.25917 9561835 HMDB37396
11-ketoetiocholanolone sulfate Lipid Androgenic Steroids 38167 LC/MS Neg 100002125 4420 383.15338
12,13-DiHOME Lipid Fatty Acid, Dihydroxy 38395 LC/MS Neg 62 5137 313.23843 263399-35-5 10236635 C14829 HMDB04705
12-dehydrocholate Lipid Secondary Bile Acid Metabolism 44644 LC/MS Neg 100001072 4871 405.26464 2458-08-4;2458-08-4 94235 HMDB00400
13-HODE + 9-HODE Lipid Fatty Acid, Monohydroxy 37752 LC/MS Neg 100002196 5275 295.22825 43013
13-HOTrE Lipid Fatty Acid, Monohydroxy 46109 LC/MS Pos Late 100002836 1313 277.21621 74784-20-6 16061072 HMDB10203
15-methylpalmitate (i17:0) Lipid Fatty Acid, Branched 38768 LC/MS Neg 100002945 5695 269.24868 17903417
16a-hydroxy DHEA 3-sulfate Lipid Androgenic Steroids 38168 LC/MS Neg 100002126 4240 383.15338
17-methylstearate (i19:0) Lipid Fatty Acid, Branched 38296 LC/MS Neg 100002356 5993 297.2799 2724-59-6 3083779 HMDB37397
1-linolenoyl-2-hexadecatrienoyl-galactosylglycerol (18:3/16:3) Lipid Glycolipid Metabolism 54890 LC/MS Pos Late 100009396 1911 764.53073
1-linolenoylglycerol (18:3) Lipid Monoacylglycerol 34393 LC/MS Neg 100001435 6214 277.21728 124151-74-2 53480978 HMDB11569
1-linoleoyl-2-linolenoyl-digalactosylglycerol (18:2/18:3)* Lipid Glycolipid Metabolism 54896 LC/MS Pos Late 100010872 2073 956.6305
1-linoleoyl-2-linolenoyl-galactosylglycerol (18:2/18:3)* Lipid Glycolipid Metabolism 54898 LC/MS Pos Late 100010878 2209 794.57765
1-linoleoylglycerol (18:2) Lipid Monoacylglycerol 27447 LC/MS Neg 100001040 6477 279.23293 2277-28-3 5283469
1-linoleoyl-GPC (18:2) Lipid Lysophospholipid 34419 LC/MS Pos Late 100001395 1465 520.33977 11988421 C04100 HMDB10386
1-linoleoyl-GPE (18:2)* Lipid Lysophospholipid 36600 LC/MS Pos Late 100001570 1482 478.29282 52925130 HMDB11507
1-methyladenine Nucleotide Purine Metabolism, Adenine containing 1527 LC/MS Pos Early 54 2133 150.07743 5142-22-3 78821 C02216 HMDB11599
N1-methyladenosine Nucleotide Purine Metabolism, Adenine containing 15650 LC/MS Pos Early 1242 2120 282.11969 15763-06-1 27476 C02494 HMDB03331
1-methyl-beta-carboline-3-carboxylic acid Xenobiotics Food Component/Plant 43449 LC/MS Neg 100004434 3190 225.06695 22329-38-0 5406157
1-methylguanidine Amino Acid Guanidino and Acetamido Metabolism 48114 LC/MS Pos Early 100000715 2149 74.07127 22661-87-6 10111 C02294 HMDB01522
1-methylhistamine Amino Acid Histidine Metabolism 43831 LC/MS Pos Early 100001204 3040 126.10258 501-75-7 3614 C05127 HMDB00898
1-methylimidazoleacetate Amino Acid Histidine Metabolism 32350 LC/MS Pos Early 100001208 2064 141.06586 2625-49-2 75810 C05828 HMDB02820
1-methylnicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 27665 LC/MS Pos Early 55 1940 137.07094 1005-24-9 10129985 C02918 HMDB00699
1-methylurate Xenobiotics Xanthine Metabolism 34395 LC/MS Pos Early 100001400 1461 183.05127 708-79-2 69726 C16359 HMDB03099
1-methylxanthine Xenobiotics Xanthine Metabolism 34389 LC/MS Neg 100001405 1568.8 165.0418 6136-37-4 80220 C16358 HMDB10738
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* Lipid Phosphatidylcholine (PC) 52453 LC/MS Pos Late 100008981 2165 784.58509
1-oleoylglycerol (18:1) Lipid Monoacylglycerol 21184 LC/MS Neg 100000924 6650 281.24858 111-03-5 5283468 HMDB11567
1-oleoyl-GPC (18:1) Lipid Lysophospholipid 48258 LC/MS Pos Late 100001272 1540 522.35542 19420-56-5 16081932 HMDB02815
1-oleoyl-GPE (18:1) Lipid Lysophospholipid 35628 LC/MS Pos Late 100001569 1554 480.30847 89576-29-4 9547071 HMDB11506
1-oleoyl-GPG (18:1)* Lipid Lysophospholipid 45968 LC/MS Neg 100005716 5610 509.28849
1-oleoyl-GPI (18:1)* Lipid Lysophospholipid 36602 LC/MS Neg 100001777 5599 597.30453
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) Lipid Phosphatidylcholine (PC) 52462 LC/MS Pos Late 100008914 2091 782.56944 35418-58-7 10747814 HMDB07982
1-palmitoyl-2-linolenoyl-digalactosylglycerol (16:0/18:3) Xenobiotics Food Component/Plant 54893 LC/MS Pos Late 100010875 2278 932.6305
1-palmitoyl-2-linoleoyl-digalactosylglycerol (16:0/18:2)* Lipid Glycolipid Metabolism 54887 LC/MS Pos Late 100010874 2498 934.64615
1-palmitoyl-2-linoleoyl-galactosylglycerol (16:0/18:2)* Lipid Glycolipid Metabolism 54901 LC/MS Pos Late 100010893 2731 772.59333
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) Lipid Phosphatidylcholine (PC) 42446 LC/MS Pos Late 1537 2160 758.56944 40811-94-7 5287971 HMDB07973
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) Lipid Phosphatidylethanolamine (PE) 42449 LC/MS Pos Late 100001870 2275 716.52248 9546747 HMDB05322
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) Lipid Phosphatidylinositol (PI) 52450 LC/MS Polar 1528 910 833.51845 HMDB09784
1-palmitoyl-2-oleoyl-GPC (16:0/18:1) Lipid Phosphatidylcholine (PC) 52461 LC/MS Pos Late 1539 2358 760.58509 26853-31-6;26853-31-6 6436017 HMDB07972
1-palmitoyl-2-oleoyl-GPE (16:0/18:1) Lipid Phosphatidylethanolamine (PE) 19263 LC/MS Pos Late 1526 2509 718.53813 26662-94-2 5283496 HMDB05320
1-palmitoyl-GPC (16:0) Lipid Lysophospholipid 33955 LC/MS Pos Late 100001263 1525 496.33977 17364-16-8 86554 HMDB10382
1-palmitoyl-GPE (16:0) Lipid Lysophospholipid 35631 LC/MS Pos Late 100001567 1544 454.29282 53862-35-4 9547069 HMDB11503
1-palmitoyl-GPG (16:0)* Lipid Lysophospholipid 45970 LC/MS Neg 100005717 5570 483.27284 3300276
1-palmitoyl-GPI (16:0) Lipid Lysophospholipid 35305 LC/MS Neg 100001655 5564 571.28888 HMDB61695
1-palmitoyl-GPS (16:0)* Lipid Lysophospholipid 46130 LC/MS Neg 100005805 5572 496.26809 9547100
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* Lipid Phosphatidylcholine (PC) 52452 LC/MS Pos Late 100008980 2380 786.60074 HMDB08039
1-stearoyl-2-oleoyl-GPC (18:0/18:1) Lipid Phosphatidylcholine (PC) 52438 LC/MS Pos Late 100008904 2644 788.61639 56421-10-4 HMDB08038
1-stearoyl-GPC (18:0) Lipid Lysophospholipid 33961 LC/MS Pos Late 100001271 1606 524.37107 19420-57-6 497299 HMDB10384
1-stearoyl-GPE (18:0) Lipid Lysophospholipid 42398 LC/MS Pos Late 100001461 1626 482.32412 69747-55-3 9547068 HMDB11130
1-stearoyl-GPG (18:0) Lipid Lysophospholipid 34437 LC/MS Neg 100001462 5816 511.30414
1-stearoyl-GPI (18:0) Lipid Lysophospholipid 19324 LC/MS Neg 100000656 5794 599.32018 796963-93-4 HMDB61696
1-stearoyl-GPS (18:0)* Lipid Lysophospholipid 45966 LC/MS Neg 100004327 5800 524.29939 9547101
2-(4-hydroxyphenyl)propionate Xenobiotics Benzoate Metabolism 35632 LC/MS Neg 100001622 1797.3 165.05571 938-96-5 102526 C03080 HMDB41683
2,3-dihydroxy-2-methylbutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 57547 LC/MS Polar 100010869 1318 133.05063 14868-24-7 301941 HMDB29576
2,3-dihydroxyisovalerate Xenobiotics Food Component/Plant 38276 LC/MS Polar 100002417 1050 133.05063 1756-18-9 677 C04039 HMDB12141
2,3-dimethylsuccinate Amino Acid Leucine, Isoleucine and Valine Metabolism 20703 LC/MS Polar 100000849 2800 145.05063 13545-04-5 11848
2,4,6-trihydroxybenzoate Xenobiotics Benzoate Metabolism 35892 LC/MS Neg 100001718 1574 169.01424 83-30-7 66520 HMDB29649
2,4-dihydroxyhydrocinnamate Xenobiotics Chemical 47113 LC/MS Neg 100005258 1759 181.05063 5631-68-5 96384
2,8-quinolinediol Xenobiotics Food Component/Plant 42975 LC/MS Pos Early 100004206 2514 162.05496 15450-76-7 97250 C06342
2,8-quinolinediol sulfate Xenobiotics Food Component/Plant 48691 LC/MS Neg 100004321 2612 239.99721
20-hydroxyecdysone Xenobiotics Food Component/Plant 27446 LC/MS Neg 100001037 4021 479.30142 5289-74-7 5459840 C02633 HMDB30180
21-hydroxypregnenolone disulfate Lipid Pregnenolone Steroids 46115 LC/MS Neg 100001999 3935 245.06711 1164-98-3 134595
2-acetamidobutanoate Xenobiotics Bacterial/Fungal 53232 LC/MS Polar 100009237 1340 144.06661 306107
2-aminoadipate Amino Acid Lysine Metabolism 6146 LC/MS Neg 381 639.2 160.06153 542-32-5;1118-90-7 469 C00956 HMDB00510
2-aminoheptanoate Lipid Fatty Acid, Amino 43761 LC/MS Pos Early 100004542 3160 146.11756 1115-90-8 227939
2-aminophenol Amino Acid Tryptophan Metabolism 38109 LC/MS Pos Early 100002382 2644 110.06004 95-55-6 5801 C01987
2-aminophenol sulfate Xenobiotics Chemical 43266 LC/MS Neg 100004322 1677 188.0023 181670 HMDB61116
2'-deoxyadenosine Nucleotide Purine Metabolism, Adenine containing 1553 LC/MS Pos Early 211 2252 252.10912 16373-93-6 13730 C00559 HMDB00101
2'-deoxyadenosine 5'-monophosphate Nucleotide Purine Metabolism, Adenine containing 46333 LC/MS Pos Early 100000485 1284 332.07545 653-63-4 12599 C00360 HMDB00905
2'-deoxycytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 15949 LC/MS Pos Early 100000125 2193 228.09789 951-77-9 13711 C00881 HMDB00014
2'-deoxyguanosine Nucleotide Purine Metabolism, Guanine containing 1411 LC/MS Neg 348 1751 266.08948 961-07-9 187790 C00330 HMDB00085
2'-deoxyinosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 15076 LC/MS Neg 100000135 1688 251.07857 890-38-0 65058 C05512 HMDB00071
2'-deoxyuridine Nucleotide Pyrimidine Metabolism, Uracil containing 1412 LC/MS Neg 536 1586 111.01997 951-78-0 13712 C00526 HMDB00012
2-hydroxy-3-methylvalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 36746 LC/MS Neg 100001541 1800 131.07136 488-15-3 164623 HMDB00317
2-hydroxyacetaminophen sulfate* Xenobiotics Drug - Analgesics, Anesthetics 33173 LC/MS Neg 100001791 1674 246.00778 86290013
2-hydroxybehenate Lipid Fatty Acid, Monohydroxy 57663 LC/MS Neg 100015637 6384 355.32177 193484
2-hydroxybutyrate/2-hydroxyisobutyrate Amino Acid Glutathione Metabolism 52281 LC/MS Polar 100008928 1258 103.04006
2-hydroxydecanoate Lipid Fatty Acid, Monohydroxy 42489 LC/MS Neg 100004089 4840 187.13396 5393-81-7 21488
2-hydroxyglutarate Lipid Fatty Acid, Dicarboxylate 37253 LC/MS Polar 100002070 3352.8 147.02989 40951-21-1 43 C02630 HMDB00606
2-hydroxyhippurate (salicylurate) Xenobiotics Benzoate Metabolism 18281 LC/MS Neg 1869 2184 194.04588 487-54-7 10253 C07588 HMDB00840
2-hydroxyibuprofen Xenobiotics Drug - Analgesics, Anesthetics 43330 LC/MS Neg 100004169 3462 221.11831 51146-55-5 10443535 HMDB60920
2-hydroxylaurate Lipid Fatty Acid, Monohydroxy 52916 LC/MS Neg 100008934 5211 215.16526 2984-55-6 97783
2-hydroxypalmitate Lipid Fatty Acid, Monohydroxy 35675 LC/MS Neg 100001579 5511.2 271.22786 764-67-0 92836 HMDB31057
2-hydroxyphenylacetate Amino Acid Tyrosine Metabolism 1432 LC/MS Polar 235 858.6 151.04006 614-75-5 11970 C05852 HMDB00669
2-isopropylmalate Xenobiotics Food Component/Plant 15667 LC/MS Polar 100000409 2605 175.06119 3237-44-3 77 C02504 HMDB00402
2-keto-3-deoxy-gluconate Xenobiotics Food Component/Plant 48141 LC/MS Polar 100005946 1900 177.04046 17510-99-5 161227 C00204 HMDB01353
2-linoleoylglycerol (18:2) Lipid Monoacylglycerol 32506 LC/MS Neg 100000987 6250 279.23293 3443-82-1 5365676 HMDB11538
2-methoxyacetaminophen sulfate* Xenobiotics Drug - Analgesics, Anesthetics 47031 LC/MS Neg 100001793 1949 260.02343 86290014
2-methylcitrate/homocitrate Energy TCA Cycle 52282 LC/MS Neg 100008929 575 205.03538
2-methylserine Amino Acid Glycine, Serine and Threonine Metabolism 53229 LC/MS Pos Early 100009246 1652 120.06552 94309 C02115
2-oleoylglycerol (18:1) Lipid Monoacylglycerol 21232 LC/MS Neg 100000943 6500 281.24858 3443-84-3 5319879 HMDB11537
2'-O-methyluridine Nucleotide Pyrimidine Metabolism, Uracil containing 57655 LC/MS Neg 100010896 1831 257.07791 2140-76-3 102212
2-oxindole-3-acetate Xenobiotics Food Component/Plant 40479 LC/MS Pos Early 100003109 2378 192.06552 2971-31-5 3080590 HMDB35514
2-oxo-1-pyrrolidinepropionate Xenobiotics Chemical 40452 LC/MS Pos Early 100003265 1600 158.08117 77191-38-9 3146688
2-oxoarginine* Amino Acid Urea cycle; Arginine and Proline Metabolism 55072 LC/MS Pos Early 100002784 1760 174.08732 10/4/3715 558 C03771 HMDB04225
2-palmitoylglycerol (16:0) Lipid Monoacylglycerol 33419 LC/MS Neg 100001048 6400 255.23293 23470-00-0 123409 HMDB11533
2-piperidinone Xenobiotics Food Component/Plant 43400 LC/MS Pos Early 100004295 1675 100.07569 675-20-7 12665 HMDB11749
3-(2-hydroxyphenyl)propionate Xenobiotics Benzoate Metabolism 35634 LC/MS Neg 100001623 2530 165.05571 495-78-3 873 C01198 HMDB33752
3-(3-hydroxyphenyl)propionate Xenobiotics Benzoate Metabolism 35635 LC/MS Neg 100001624 1980 165.05571 621-54-5 91 C11457 HMDB00375
3-(3-hydroxyphenyl)propionate sulfate Xenobiotics Benzoate Metabolism 45415 LC/MS Neg 100005391 1294 245.01253 86321-32-6 187488
3-(4-hydroxyphenyl)lactate Amino Acid Tyrosine Metabolism 32197 LC/MS Polar 240 1390.6 181.05063 6482-98-0 9378 C03672 HMDB00755
3-(4-hydroxyphenyl)propionate Xenobiotics Benzoate Metabolism 39587 LC/MS Neg 100002914 1670 165.05571 501-97-3 10394 C01744 HMDB02199
3-(cystein-S-yl)acetaminophen* Xenobiotics Drug - Analgesics, Anesthetics 34365 LC/MS Pos Early 100001797 2420 271.07471 5233914
3-(N-acetyl-L-cystein-S-yl) acetaminophen Xenobiotics Drug - Analgesics, Anesthetics 45721 LC/MS Neg 2048 2094 311.07072 52372-86-8 83967
3,4-dihydroxybenzoate Xenobiotics Benzoate Metabolism 18292 LC/MS Neg 100000440 729 153.01933 99-50-3 72 C00230 HMDB01856
3,4-dihydroxyphenylacetate Amino Acid Tyrosine Metabolism 18296 LC/MS Neg 100000449 1040 123.04515 102-32-9 547 C01161 HMDB01336
3,5-dihydroxybenzoic acid Xenobiotics Food Component/Plant 37508 LC/MS Neg 100002054 785.4 153.01933 99-10-5 7424 HMDB13677
3,7-dimethylurate Xenobiotics Xanthine Metabolism 34399 LC/MS Neg 100001398 1418.2 195.05236 13087-49-5 83126 C16360 HMDB01982
3-aminoisobutyrate Nucleotide Pyrimidine Metabolism, Thymine containing 1566 LC/MS Pos Early 1114 2190 104.07061 10569-72-9;214139-20-5 64956 C05145 HMDB03911
3beta-hydroxy-5-cholestenoate Lipid Sterol 54805 LC/MS Neg 100006370 5398 415.32177 6561-58-6 165511 C17333
3b-hydroxy-5-cholenoic acid Lipid Secondary Bile Acid Metabolism 43507 LC/MS Neg 100004182 5205 373.27482 5255-17-4 92997 HMDB00308
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) Lipid Fatty Acid, Dicarboxylate 31787 LC/MS Neg 100001178 2800 239.09249 86879-39-2 123979 HMDB61112
3-carboxyadipate Lipid Fatty Acid, Dicarboxylate 54723 LC/MS Neg 100009325 571 189.04046 923-42-2 222467
3-dehydrocholate Lipid Secondary Bile Acid Metabolism 43835 LC/MS Neg 100001062 5050 405.26464 2304-89-4 159655 HMDB00502
3-hydroxy-2-ethylpropionate Amino Acid Leucine, Isoleucine and Valine Metabolism 32397 LC/MS Neg 100001170 975 117.05571 4374-62-3 188979 HMDB00396
3-hydroxy-3-methylglutarate Lipid Mevalonate Metabolism 531 LC/MS Polar 112 2850 161.04555 503-49-1 1662 C03761 HMDB00355
3-hydroxybutyrate (BHBA) Lipid Ketone Bodies 542 LC/MS Polar 254 1444 103.04007 625-72-9 441 C01089 HMDB00357
3-hydroxycinnamate Xenobiotics Food Component/Plant 20698 LC/MS Neg 100000842 1960 163.04006 588-30-7;14755-02-3 637541 C12621 HMDB01713
3-hydroxydecanoate Lipid Fatty Acid, Monohydroxy 22053 LC/MS Neg 100000997 4634.7 187.13396 5561-87-5 26612 HMDB02203
3-hydroxyhexanoate Lipid Fatty Acid, Monohydroxy 53230 LC/MS Neg 100006367 1725 131.07136 10191-24-9 151492
3-hydroxyhippurate Xenobiotics Benzoate Metabolism 39600 LC/MS Neg 100002122 1687 194.04588 1637-75-8 450268 HMDB06116
3-hydroxyisobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 1549 LC/MS Polar 111 1619 103.04007 2068-83-9 87 C06001 HMDB00336
3-hydroxylaurate Lipid Fatty Acid, Monohydroxy 32457 LC/MS Neg 100001112 5175 215.16526 53941-38-1 94216 HMDB00387
3-hydroxyoctanoate Lipid Fatty Acid, Monohydroxy 22001 LC/MS Neg 100000773 3446 159.10266 88930-08-9 26613 HMDB01954
3-hydroxypalmitate Lipid Fatty Acid, Monohydroxy 27503 LC/MS Neg 100000983 5476 271.22786 928-17-6 301590 HMDB10734
3-hydroxyphenylacetate Amino Acid Phenylalanine Metabolism 1413 LC/MS Polar 114 1220 151.04007 621-37-4 12122 C05593 HMDB00440
3-hydroxypyridine Xenobiotics Chemical 21169 LC/MS Pos Early 100000905 2292 96.04439 109-00-2 7971
3-hydroxyquinine Xenobiotics Drug - Antibiotic 43496 LC/MS Pos Early 100002410 3271 341.18597 78549-61-8 441264 C07344 HMDB01091
3-hydroxysebacate Lipid Fatty Acid, Monohydroxy 31943 LC/MS Neg 100001145 1282 217.10814 73141-46-5 3017884 HMDB00350
3-hydroxysuberate Lipid Fatty Acid, Monohydroxy 31936 LC/MS Neg 100001143 644 189.07684 73141-47-6 22328017 HMDB00325
3-hydroxyvalerate Lipid Fatty Acid, Monohydroxy 57548 LC/MS Polar 100002459 1241 117.05571 10237-77-1 107802 HMDB00531
3-indoxyl sulfate Amino Acid Tryptophan Metabolism 27672 LC/MS Neg 100000467 2222.2 212.0023 2642-37-7 10258 HMDB00682
3-ketosphinganine Lipid Sphingolipid Metabolism 34381 LC/MS Pos Late 100001436 1400 300.28971 18944-28-0 631 C02934 HMDB01480
3-methyl-2-oxobutyrate Amino Acid Leucine, Isoleucine and Valine Metabolism 44526 LC/MS Polar 100000936 911 115.04006 3715-29-5 49 C00141 HMDB00019
3-methyl-2-oxovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 15676 LC/MS Neg 100000036 2064.2 129.05572 1460-34-0;51829-07-3 47 C00671 HMDB03736
3-methyladipate Lipid Fatty Acid, Dicarboxylate 36749 LC/MS Polar 100001765 2865 159.06628 1/3/3058 12292 HMDB00555
3-methylglutaconate Amino Acid Leucine, Isoleucine and Valine Metabolism 38667 LC/MS Polar 100002458 2700 143.03498 5746-90-7 1551553 HMDB00522
3-methylglutarate/2-methylglutarate Lipid Fatty Acid, Dicarboxylate 54676 LC/MS Polar 100010834 2832 145.05063 HMDB00752
3-methylhistidine Amino Acid Histidine Metabolism 15677 LC/MS Pos Early 100000042 2670 170.09241 368-16-1 64969 C01152 HMDB00479
3-methylurate* Xenobiotics Xanthine Metabolism 48252 LC/MS Neg 100004049 1024 181.03671 605-99-2 11804
3-methylxanthine Xenobiotics Xanthine Metabolism 32445 LC/MS Neg 100001108 1700 165.0418 1076-22-8 70639 C16357 HMDB01886
3-phenylpropionate (hydrocinnamate) Xenobiotics Benzoate Metabolism 15749 LC/MS Neg 100000010 2860 149.0608 501-52-0 107 C05629 HMDB00764
3-sulfo-L-alanine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 47089 LC/MS Pos Early 382 570 170.01178 498-40-8 72886 C00506 HMDB02757
3-ureidopropionate Nucleotide Pyrimidine Metabolism, Uracil containing 3155 LC/MS Pos Early 1053 875 133.06077 462-88-4 111 C02642 HMDB00026
4-acetamidobenzoate Xenobiotics Chemical 57585 LC/MS Neg 100009413 1403 178.05096 556-08-1 19266 D03836
4-acetamidobutanoate Amino Acid Polyamine Metabolism 1558 LC/MS Pos Early 1113 1350 146.08117 3025-96-5 18189 C02946 HMDB03681
4-acetamidophenol Xenobiotics Drug - Analgesics, Anesthetics 12032 LC/MS Neg 1383 2173.7 150.05605 103-90-2 1983 C06804 HMDB01859
4-acetamidophenylglucuronide Xenobiotics Drug - Analgesics, Anesthetics 15736 LC/MS Neg 100000043 1400 326.08814 120595-80-4 83944 HMDB10316
4-acetaminophen sulfate Xenobiotics Drug - Analgesics, Anesthetics 37475 LC/MS Neg 2049 1792 230.01287 10066-90-7;32113-41-0 83939 C06804 HMDB59911
4-cholesten-3-one Lipid Sterol 38125 LC/MS Pos Late 100002227 2520 385.3465 601-57-0 91477 C00599 HMDB00921
4-ethylphenylsulfate Xenobiotics Benzoate Metabolism 36099 LC/MS Neg 100001756 3580 201.0227 123-07-9 C13637
4-guanidinobutanoate Amino Acid Guanidino and Acetamido Metabolism 15681 LC/MS Pos Early 100000096 2320 146.09241 463-003;463-00-3 500 C01035 HMDB03464
4-hydroxybenzoate Xenobiotics Benzoate Metabolism 21133 LC/MS Polar 100000862 1305 137.02441 99-96-7 135 C00156 HMDB00500
4-hydroxybenzyl alcohol Xenobiotics Food Component/Plant 15127 LC/MS Neg 100000097 2215 123.04515 623-05-2 125 C17467 HMDB11724
4-hydroxychlorothalonil Xenobiotics Chemical 48441 LC/MS Neg 100006082 4427 244.90817 28343-61-5 34217
4-hydroxycinnamate Xenobiotics Food Component/Plant 36770 LC/MS Neg 100001675 1457 163.04006 501-98-4 637542 C00811 HMDB02035
4-hydroxycyclohexylcarboxylic acid Xenobiotics Food Component/Plant 43516 LC/MS Pos Early 100004250 2005 127.07536 17419-81-7 151138 C04404 HMDB01988
4-hydroxyglutamate Amino Acid Glutamate Metabolism 40499 LC/MS Pos Early 100002544 1141 164.05535 2485-33-8 439902 C03079 HMDB01344
4-hydroxyhippurate Xenobiotics Benzoate Metabolism 35527 LC/MS Neg 100001423 1475 194.04588 2482-25-9 151012 HMDB13678
4-hydroxyphenylacetate Amino Acid Phenylalanine Metabolism 541 LC/MS Neg 144 1361 151.04007 156-38-7 127 C00642 HMDB00020
4-hydroxyphenylpyruvate Amino Acid Tyrosine Metabolism 1669 LC/MS Neg 1141 1690 179.03498 156-39-8 979 C01179 HMDB00707
4-imidazoleacetate Amino Acid Histidine Metabolism 32349 LC/MS Pos Early 100001207 2055 127.05021 645-65-8 96215 C02835 HMDB02024
4-methyl-2-oxopentanoate Amino Acid Leucine, Isoleucine and Valine Metabolism 22116 LC/MS Neg 100000551 2170 129.05571 816-66-0 70 C00233 HMDB00695
4-methylcatechol sulfate Xenobiotics Benzoate Metabolism 46146 LC/MS Neg 100004111 2665 203.00196
4-methylthio-2-oxobutanoate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 40732 LC/MS Neg 100003712 1635 147.01213 583-92-6 473 C01180 HMDB01553
4-oxo-retinoic acid Cofactors and Vitamins Vitamin A Metabolism 39760 LC/MS Pos Late 100002825 1298 315.19547 38030-57-8 6437063 HMDB06285
4-ureidobutyrate Nucleotide Pyrimidine Metabolism, Uracil containing 22118 LC/MS Pos Early 100000718 1095 147.07642 10/1/2609 1571307
5-(2-Hydroxyethyl)-4-methylthiazole Cofactors and Vitamins Thiamine Metabolism 27673 LC/MS Pos Early 100000098 2310 144.04777 137-00-8 1136 C04294
5-acetylamino-6-amino-3-methyluracil Xenobiotics Xanthine Metabolism 34424 LC/MS Polar 100001403 1710 197.06801 1196153-01-1 88299 C16366 HMDB04400
5-acetylamino-6-formylamino-3-methyluracil Xenobiotics Xanthine Metabolism 34401 LC/MS Polar 100001402 1424 225.06292 85438-96-6 108214 C16365 HMDB11105
5alpha-androstan-3alpha,17alpha-diol disulfate Lipid Androgenic Steroids 37182 LC/MS Neg 100002007 4547 225.06965
5alpha-androstan-3alpha,17alpha-diol monosulfate Lipid Androgenic Steroids 37183 LC/MS Neg 100002008 5208 371.18976
5alpha-androstan-3alpha,17beta-diol disulfate Lipid Androgenic Steroids 37184 LC/MS Neg 100002017 4275 225.06965
5alpha-androstan-3alpha,17beta-diol monosulfate (1) Lipid Androgenic Steroids 37186 LC/MS Neg 100002018 4925 371.18976
5alpha-androstan-3beta,17alpha-diol disulfate Lipid Androgenic Steroids 37187 LC/MS Neg 100002021 4215 225.06965
5alpha-androstan-3beta,17alpha-diol monosulfate (1) Lipid Androgenic Steroids 37188 LC/MS Neg 100002022 4806 371.18976
5alpha-androstan-3beta,17alpha-diol monosulfate (2) Lipid Androgenic Steroids 46180 LC/MS Neg 100006007 5095 371.19092
5alpha-androstan-3beta,17beta-diol disulfate Lipid Androgenic Steroids 37190 LC/MS Neg 100001987 3880 225.06965 571-20-0 242332 C12525 HMDB00493
5alpha-androstan-3beta,17beta-diol monosulfate (1) Lipid Androgenic Steroids 37191 LC/MS Neg 100002023 4635 371.18976
5alpha-androstan-3beta,17beta-diol monosulfate (2) Lipid Androgenic Steroids 37192 LC/MS Neg 100002024 4685 371.18976
5alpha-pregnan-3(alpha or beta),20beta-diol disulfate Lipid Progestin Steroids 46172 LC/MS Neg 100002015 4310 239.0853 5127902
5alpha-pregnan-3beta,20alpha-diol disulfate Lipid Progestin Steroids 37198 LC/MS Neg 100001988 3962 239.0853
5alpha-pregnan-3beta,20alpha-diol monosulfate (1) Lipid Progestin Steroids 37199 LC/MS Neg 100002013 4928 399.22106
5alpha-pregnan-3beta,20alpha-diol monosulfate (2) Lipid Progestin Steroids 37200 LC/MS Neg 100002014 5060 399.22106
5alpha-pregnan-3beta,20beta-diol monosulfate (1) Lipid Progestin Steroids 37196 LC/MS Neg 100002009 5180 399.22106
5alpha-pregnan-3beta-ol,20-one sulfate Lipid Progestin Steroids 37480 LC/MS Neg 100002035 5136 397.20541 7730-00-9
5-aminovalerate Amino Acid Lysine Metabolism 18319 LC/MS Pos Early 100000454 2220 118.08626 660-88-8 138 C00431 HMDB03355
5-dodecenoate (12:1n7) Lipid Medium Chain Fatty Acid 33968 LC/MS Neg 100001232 5224 197.1547 2430-94-6 5312378 HMDB00529
5-hydroxy-2-indolecarboxylic acid Xenobiotics Food Component/Plant 21032 LC/MS Neg 100000906 1270 176.03531 21598-06-1 88958
5-hydroxyhexanoate Lipid Fatty Acid, Monohydroxy 31938 LC/MS Neg 100001148 1267 131.07136 44843-89-2 170748 HMDB00525
5-hydroxylysine Amino Acid Lysine Metabolism 15685 LC/MS Pos Early 100000054 2790 163.10772 13204-98-3 1029 C16741 HMDB00450
5-hydroxymethylfurfural Xenobiotics Food Component/Plant 37429 LC/MS Pos Early 100002057 1542 127.03897 67-47-0 237332 C11101 HMDB34355
5-methylthioadenosine (MTA) Amino Acid Polyamine Metabolism 1419 LC/MS Pos Early 212 2752 298.09684 2457-80-9 439176 C00170 HMDB01173
5-methyluridine (ribothymidine) Nucleotide Pyrimidine Metabolism, Uracil containing 35136 LC/MS Neg 100001446 1778.1 257.07791 1463-10-1 445408 HMDB00884
5-oxoproline Amino Acid Glutathione Metabolism 1494 LC/MS Neg 1021 738.5 128.03531 98-79-3 7405 C01879 HMDB00267
6-hydroxynicotinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 27680 LC/MS Polar 100000809 2000 138.01966 5006-66-6 72924 C01020 HMDB02658
6-oxolithocholate Lipid Secondary Bile Acid Metabolism 46336 LC/MS Neg 100001068 5033 389.26973 2393-61-5 164960
6-oxopiperidine-2-carboxylate Amino Acid Lysine Metabolism 43231 LC/MS Neg 100004499 965 142.05096 34622-39-4 3014237 HMDB61705
7-ketocholesterol Lipid Sterol 34188 LC/MS Pos Late 100001100 2413 383.33085 566-28-9 91474 HMDB00501
7-ketodeoxycholate Lipid Secondary Bile Acid Metabolism 31904 LC/MS Neg 100001063 4821 405.26464 911-40-0 188292 HMDB00391
7-ketolithocholate Lipid Secondary Bile Acid Metabolism 43830 LC/MS Neg 100001069 5082 389.26973 4651-67-6 444262 HMDB00467
7-methylguanine Nucleotide Purine Metabolism, Guanine containing 35114 LC/MS Pos Early 100001456 2175 166.07234 578-76-7 11361 C02242 HMDB00897
7-methylurate Xenobiotics Xanthine Metabolism 39598 LC/MS Pos Early 100002241 1321 183.05127 612-37-3 69160 C16355 HMDB11107
7-methylxanthine Xenobiotics Xanthine Metabolism 34390 LC/MS Pos Early 100001396 1350 167.05636 552-62-5 68374 C16353 HMDB01991
8-hydroxyguanine Nucleotide Purine Metabolism, Guanine containing 38672 LC/MS Pos Early 100002744 951 168.0516 5614-64-2 65154 C20155 HMDB02032
8-hydroxyoctanoate Lipid Fatty Acid, Monohydroxy 21239 LC/MS Neg 100000956 2300 159.10266 764-89-6 69820 HMDB61914
9,10-DiHOME Lipid Fatty Acid, Dihydroxy 38399 LC/MS Neg 179 5180 313.23843 263399-34-4 9966640 C14828 HMDB04704
acesulfame Xenobiotics Food Component/Plant 48569 LC/MS Polar 100006203 756 161.98665 55589-62-3 36573 HMDB33585
acetylcarnitine (C2) Lipid Fatty Acid Metabolism(Acyl Carnitine) 32198 LC/MS Pos Early 100000802 2282 204.12304 5080-50-2 1 C02571 HMDB00201
acisoga Amino Acid Polyamine Metabolism 43258 LC/MS Pos Early 100004541 1813 185.12846 106692-36-8 129397
adenine Nucleotide Purine Metabolism, Adenine containing 554 LC/MS Pos Early 880 2221 136.06178 73-24-5 190 C00147 HMDB00034
adenosine Nucleotide Purine Metabolism, Adenine containing 555 LC/MS Pos Early 798 2169 268.10404 58-61-7 60961 C00212 HMDB00050
adenosine-2',3'-cyclic monophosphate Nucleotide Purine Metabolism, Adenine containing 37467 LC/MS Neg 72 1793 328.04524 37063-35-7 2024 C02353 HMDB11616
adipate (C6-DC) Lipid Fatty Acid, Dicarboxylate 21134 LC/MS Polar 100000863 3000 145.05063 124-04-9 196 C06104 HMDB00448
agmatine Amino Acid Polyamine Metabolism 15496 LC/MS Pos Early 100000103 3057 131.12913 2482-00-0 199 C00179 HMDB01432
alanine Amino Acid Alanine and Aspartate Metabolism 1126 LC/MS Pos Early 811 1700 90.05496 56-41-7 5950 C00041 HMDB00161
alanylleucine Peptide Dipeptide 37093 LC/MS Pos Early 100001890 3055 203.13902 1638-60-4 259583 HMDB28691
allantoin Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1107 LC/MS Polar 1002 1672 157.03671 97-59-6 204 C02350 HMDB00462
allo-threonine Amino Acid Glycine, Serine and Threonine Metabolism 15142 LC/MS Polar 100000272 2511.1 118.05096 28954-12-3 99289 C05519 HMDB04041
alpha-CEHC sulfate Cofactors and Vitamins Tocopherol Metabolism 47666 LC/MS Neg 100005972 3090 357.10134
alpha-hydroxyisocaproate Amino Acid Leucine, Isoleucine and Valine Metabolism 22132 LC/MS Neg 100000706 1840 131.07136 10303-64-7 83697 C03264 HMDB00746
alpha-hydroxyisovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 46537 LC/MS Polar 100001300 1052 117.05571 600-37-3 99823 HMDB00407
alpha-ketoglutarate Energy TCA Cycle 528 LC/MS Polar 93 2700 145.01425 305-72-6;328-50-7;22202-68-2 51 C00026 HMDB00208
alpha-methylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 37437 LC/MS Pos Early 100002115 2630 147.11281 52372-32-4 2113
alpha-tocopherol Cofactors and Vitamins Tocopherol Metabolism 1561 LC/MS Pos Late 1105 2522 430.37818 59-02-9;10191-41-0 14985 C02477 HMDB01893
alpha-tocopherol acetate Cofactors and Vitamins Tocopherol Metabolism 38288 LC/MS Pos Late 100002328 2702 490.42548 7695-31-2 2117 C13202 HMDB34227
alpha-tocotrienol Cofactors and Vitamins Tocopherol Metabolism 37502 LC/MS Pos Late 100001979 1986 424.3336 58864-81-6 5282347 C14153 HMDB06327
adenosine 5'-monophosphate (AMP) Nucleotide Purine Metabolism, Adenine containing 32342 LC/MS Pos Early 209 1013 348.07037 149022-20-8 6083 C00020 HMDB00045
androstenediol (3alpha, 17alpha) monosulfate (2) Lipid Androgenic Steroids 37207 LC/MS Neg 100002026 4712 369.17411
androstenediol (3beta,17beta) disulfate (1) Lipid Androgenic Steroids 37202 LC/MS Neg 100001992 3740 224.06182 87120982 C04295 HMDB03818
androstenediol (3beta,17beta) disulfate (2) Lipid Androgenic Steroids 37203 LC/MS Neg 100001994 4065 224.0624 87120982 C04295 HMDB03818
androstenediol (3beta,17beta) monosulfate (1) Lipid Androgenic Steroids 37211 LC/MS Neg 100002028 4535 369.17411 521-17-5 13847309 HMDB03818
androstenediol (3beta,17beta) monosulfate (2) Lipid Androgenic Steroids 37210 LC/MS Neg 100002029 4500 369.17411
androsterone sulfate Lipid Androgenic Steroids 31591 LC/MS Neg 100001073 5022 369.17411 2479-86-9 159663 HMDB02759
anserine Amino Acid Histidine Metabolism 15747 LC/MS Pos Early 100000044 2924 241.12952 10030-52-1 112072 C01262 HMDB00194
anthranilate Amino Acid Tryptophan Metabolism 4970 LC/MS Pos Early 1258 2606 138.05496 118-92-3 227 C00108 HMDB01123
apigenin Xenobiotics Food Component/Plant 21189 LC/MS Neg 100000935 3845 269.04554 520-36-5 5280443 C01477 HMDB02124
arabinose Carbohydrate Pentose Metabolism 575 LC/MS Polar 828 1804.5 195.05103 28697-53-2 66308 C00216 HMDB00646
arabitol/xylitol Carbohydrate Pentose Metabolism 48885 LC/MS Polar 100006430 1932.4 151.0612 6912 C01904
arabonate/xylonate Carbohydrate Pentose Metabolism 48255 LC/MS Polar 100006115 2700 165.04046
arachidate (20:0) Lipid Long Chain Fatty Acid 1118 LC/MS Neg 893 6240 311.29555 506-30-9 10467 C06425 HMDB02212
arachidonate (20:4n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 1110 LC/MS Neg 229 5535 303.23295 506-32-1 444899 C00219 HMDB01043
arachidoyl ethanolamide (20:0)* Lipid Endocannabinoid 57532 LC/MS Pos Late 100015853 1941 356.35231 3787294
arachidoylcarnitine (C20)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57513 LC/MS Pos Late 100015833 1512 456.40474 HMDB06460
argininate* Amino Acid Urea cycle; Arginine and Proline Metabolism 57461 LC/MS Pos Early 100002769 2150 176.10297 157-07-3 160437 HMDB03148
arginine Amino Acid Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos Early 231 2825 175.11896 1119-34-2 232 C00062 HMDB00517
argininosuccinate Amino Acid Urea cycle; Arginine and Proline Metabolism 15497 LC/MS Pos Early 232 2745 291.12992 156637-58-0 828 C03406 HMDB00052
asparagine Amino Acid Alanine and Aspartate Metabolism 512 LC/MS Pos Early 917 1225 133.06077 70-47-3 6267 C00152 HMDB00168
aspartate Amino Acid Alanine and Aspartate Metabolism 443 LC/MS Pos Early 234 1165 134.04479 56-84-8 5960 C00049 HMDB00191
atenolol Xenobiotics Drug - Cardiovascular 38658 LC/MS Pos Early 100002726 2668 267.17032 29122-68-7 2249 D00235 HMDB01924
azelate (C9-DC) Lipid Fatty Acid, Dicarboxylate 18362 LC/MS Neg 2029 1276 187.09758 123-99-9 2266 C08261 HMDB00784
azithromycin Xenobiotics Drug - Antibiotic 52966 LC/MS Pos Late 100008963 918 749.51581 83905-01-5 2269 C06838 HMDB14352
behenate (22:0)* Lipid Long Chain Fatty Acid 12125 LC/MS Neg 314 6745 339.32685 112-85-6 8215 C08281 HMDB00944
behenoyl ethanolamide (22:0)* Lipid Endocannabinoid 57534 LC/MS Pos Late 100015854 2164 384.38361 3023585
behenoylcarnitine (C22)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57514 LC/MS Pos Late 100015832 1561 484.43604
benzoate Xenobiotics Benzoate Metabolism 15778 LC/MS Neg 100000008 1750 121.0295 65-85-0 243 C00180 HMDB01870
benzoylecgonine Xenobiotics Drug - Analgesics, Anesthetics 39678 LC/MS Pos Early 100002928 3061 290.13869 519-09-5 442997 C10847 HMDB41836
berberine Xenobiotics Food Component/Plant 38626 LC/MS Pos Late 100002774 795 336.12304 633-66-9
beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 55 LC/MS Pos Early 244 1905 90.05496 56-41-7;107-95-9 239 C00099 HMDB00056
beta-cryptoxanthin Cofactors and Vitamins Vitamin A Metabolism 57591 LC/MS Pos Late 100001977 2560 552.43257 472-70-8 6384256 HMDB33844
beta-guanidinopropanoate Xenobiotics Food Component/Plant 35101 LC/MS Pos Early 100001411 2145 132.07676 353-09-3 67701 C03065 HMDB13222
beta-hydroxyisovalerate Amino Acid Leucine, Isoleucine and Valine Metabolism 12129 LC/MS Polar 1442 1149.8 117.05572 625-08-1 69362 HMDB00754
betaine Amino Acid Glycine, Serine and Threonine Metabolism 3141 LC/MS Pos Early 799 1064 118.08626 107-43-7 247 C00719 HMDB00043
beta-muricholate Lipid Primary Bile Acid Metabolism 31885 LC/MS Neg 100001066 4794 407.28029 2393-59-1 5283853 C17726 HMDB00415
beta-sitosterol Lipid Sterol 27414 LC/MS Pos Late 100001033 3054 397.38289 83-46-5 222284 C01753 HMDB00852
bilirubin (Z,Z) Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 43807 LC/MS Pos Late 1090 1840 585.27076 635-65-4 5280352 C00486 HMDB00054
bilirubin (E,E)* Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 32586 LC/MS Pos Late 100001950 1045 585.27076 114-25-0 5315454
bilirubin (E,Z or Z,E)* Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 47886 LC/MS Pos Late 100001951 1265 585.27076 5799469 HMDB00488
biliverdin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 2137 LC/MS Neg 250 4695.6 581.24056 55482-27-4;55482-27-4 5353439 C00500 HMDB01008
biochanin A Xenobiotics Food Component/Plant 21181 LC/MS Neg 100000918 4681.8 283.06119 491-80-5 5280373 C00814 HMDB02338
biotin Cofactors and Vitamins Biotin Metabolism 568 LC/MS Pos Early 251 2253 245.09545 58-85-5 171548 C00120 HMDB00030
bufotenine Xenobiotics Food Component/Plant 41609 LC/MS Pos Early 100003734 2564 205.13354 487-93-4 10257 C08299 HMDB41842
butyrylglutamine/isobutyrylglutamine Amino Acid Glutamate Metabolism 54934 LC/MS Neg 100010911 1526 215.10373
butyrylglycine Lipid Fatty Acid Metabolism (also BCAA Metabolism) 31850 LC/MS Neg 100001151 1470 144.06661 20208-73-5 88412 HMDB00808
cadaverine Amino Acid Lysine Metabolism 15308 LC/MS Pos Early 100000110 3036 103.12298 462-94-2;1476-39-7 273 C01672 HMDB02322
caffeate Xenobiotics Food Component/Plant 21177 LC/MS Neg 100000914 1165 179.03498 331-39-5 689043 C01197 HMDB01964
caffeic acid sulfate Xenobiotics Xanthine Metabolism 53254 LC/MS Neg 100009337 870 258.99179 HMDB41708
caffeine Xenobiotics Xanthine Metabolism 569 LC/MS Pos Early 849 2106 195.08766 58-08-2 2519 C07481 HMDB01847
campesterol Lipid Sterol 33997 LC/MS Pos Late 100001269 2873 383.36724 474-62-4 173183 C01789 HMDB02869
caprate (10:0) Lipid Medium Chain Fatty Acid 1642 LC/MS Neg 888 5090.7 171.13905 112-37-8 2969 C01571 HMDB00511
caproate (6:0) Lipid Medium Chain Fatty Acid 32489 LC/MS Neg 926 2713.7 115.07645 142-62-1 8892 C01585 HMDB00535
caprylate (8:0) Lipid Medium Chain Fatty Acid 32492 LC/MS Neg 932 4362 143.10775 124-07-2 379 C06423 HMDB00482
capsaicin Xenobiotics Food Component/Plant 31540 LC/MS Pos Late 100001111 1165 306.20637 404-86-4 1548943 C06866 HMDB02227
carboxyethyl-GABA Amino Acid Glutamate Metabolism 40007 LC/MS Pos Early 100003260 2085 176.09174 3/2/4386 2572 HMDB02201
carboxyibuprofen Xenobiotics Drug - Analgesics, Anesthetics 43333 LC/MS Neg 100004171 1920 235.09758 15935-54-3 10444113 HMDB60564
carnitine Lipid Carnitine Metabolism 15500 LC/MS Pos Early 100000007 1978 162.11247 461-05-2 10917 C00318 HMDB00062
carnosine Amino Acid Histidine Metabolism 1768 LC/MS Neg 249 804 225.09931 305-84-0 439224 C00386 HMDB00033
carotene diol (1) Cofactors and Vitamins Vitamin A Metabolism 57635 LC/MS Pos Late 100015966 1720 568.42759
carotene diol (2) Cofactors and Vitamins Vitamin A Metabolism 57636 LC/MS Pos Late 100015967 1904 568.42793
carotene diol (3) Cofactors and Vitamins Vitamin A Metabolism 57637 LC/MS Pos Late 100015968 1948 568.42786
catechol sulfate Xenobiotics Benzoate Metabolism 35320 LC/MS Neg 100001605 1906 188.98631 4918-96-1 3083879 HMDB59724
ceramide (d16:1/24:1, d18:1/22:1)* Lipid Ceramides 57437 LC/MS Pos Late 100015727 3850 620.59763
ceramide (d18:1/14:0, d16:1/16:0)* Lipid Ceramides 57432 LC/MS Pos Late 100015735 2477 510.48808
ceramide (d18:1/17:0, d17:1/18:0)* Lipid Ceramides 57434 LC/MS Pos Late 100015737 3055 552.53505
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)* Lipid Ceramides 57440 LC/MS Pos Late 100015755 3920 594.58199
ceramide (d18:2/24:1, d18:1/24:2)* Lipid Ceramides 57443 LC/MS Pos Late 100015744 3858 646.6133
cerotoylcarnitine (C26)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57516 LC/MS Pos Late 100015835 1649 540.49864 HMDB06347
cetirizine Xenobiotics Drug - Respiratory 54745 LC/MS Pos Late 100009034 1052 389.16265 83881-51-0 2678 C07778 HMDB05032
chenodeoxycholate Lipid Primary Bile Acid Metabolism 1563 LC/MS Neg 1123 5264 391.28538 474-24-9;474-25-9 10133 C02528 HMDB00518
chiro-inositol Lipid Inositol Metabolism 37112 LC/MS Polar 100001859 3191.2 225.06159 643-12-9 C19891 HMDB34220
cholate Lipid Primary Bile Acid Metabolism 22842 LC/MS Neg 136 5165 407.28029 81-25-4 221493 C00695 HMDB00619
cholate sulfate Lipid Primary Bile Acid Metabolism 52973 LC/MS Neg 100006637 4557 243.11491
cholesterol Lipid Sterol 63 LC/MS Pos Late 266 2707 369.35159 57-88-5 11025495 C00187 HMDB00067
choline Lipid Phospholipid Metabolism 15506 LC/MS Pos Early 1256 1961 104.10699 67-48-1 305 C00114 HMDB00097
chrysoeriol Xenobiotics Food Component/Plant 40474 LC/MS Neg 100002959 3870 299.05611 491-71-4 5280666 C04293 HMDB30667
ciliatine (2-aminoethylphosphonate) Xenobiotics Food Component/Plant 15125 LC/MS Pos Early 100000086 736 126.03146 2041-14-7 339 C03557 HMDB11747
cinnamate Xenobiotics Food Component/Plant 12115 LC/MS Neg 1259 2878 147.04515 140-10-3 444539 C00423 HMDB00930
cis-4-hydroxycyclohexylacetic acid Amino Acid Tyrosine Metabolism 43412 LC/MS Neg 100004410 1185 157.08701 68592-22-3 HMDB00451
cis-urocanate Amino Acid Histidine Metabolism 40410 LC/MS Neg 100003425 1200 137.03565 7699-35-6 1549103 HMDB34174
citrate Energy TCA Cycle 1564 LC/MS Neg 1124 582 191.01973 77-92-9 311 C00158 HMDB00094
citrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 2132 LC/MS Pos Early 391 1520 176.10297 372-75-8 9750 C00327 HMDB00904
coprostanol Lipid Sterol 45986 LC/MS Pos Late 100005346 2850 371.36724 360-68-9 221122 HMDB00577
creatine Amino Acid Creatine Metabolism 27718 LC/MS Pos Early 1221 1947 132.07676 57-00-1 586 C00300 HMDB00064
creatinine Amino Acid Creatine Metabolism 513 LC/MS Pos Early 275 2055 114.06619 60-27-5 588 C00791 HMDB00562
curcumin Xenobiotics Food Component/Plant 37470 LC/MS Neg 100001975 5142 367.11871 458-37-7 969516 C10443 HMDB02269
cysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1868 LC/MS Pos Early 800 1488 122.02703 52-90-4;56-89-3 5862 C00097 HMDB00574
cysteine s-sulfate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 22176 LC/MS Neg 100000808 640.9 199.96928 1637-71-4 115015 C05824 HMDB00731
cysteine sulfinic acid Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 37443 LC/MS Pos Early 100002113 597 154.01686 207121-48-0 109 C00606 HMDB00996
cysteinylglycine Amino Acid Glutathione Metabolism 35637 LC/MS Pos Early 278 2132 179.0485 19246-18-5 439498 C01419 HMDB00078
cystine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 56 LC/MS Pos Early 279 2000 241.03113 56-89-3 67678 C00491 HMDB00192
cytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 514 LC/MS Pos Early 827 2124 244.0928 65-46-3 6175 C00475 HMDB00089
cytidine 2',3'-cyclic monophosphate Nucleotide Pyrimidine Metabolism, Cytidine containing 37465 LC/MS Pos Early 73 769 306.04857 15718-51-1 417654 C02354 HMDB11691
cytosine Nucleotide Pyrimidine Metabolism, Cytidine containing 573 LC/MS Pos Early 881 2060 112.05054 71-30-7 597 C00380 HMDB00630
daidzein Xenobiotics Food Component/Plant 32453 LC/MS Neg 100001219 3566 253.05063 486-66-8 5281708 C10208 HMDB03312
2'-deoxycytidine 5'-monophosphate Nucleotide Pyrimidine Metabolism, Cytidine containing 533 LC/MS Pos Early 298 975 308.06422 1032-65-1 13945 C00239 HMDB01202
dehydroisoandrosterone sulfate (DHEA-S) Lipid Androgenic Steroids 32425 LC/MS Neg 100000792 4745 367.15846 651-48-9 12594 C04555 HMDB01032
dehydrolithocholate Lipid Secondary Bile Acid Metabolism 31891 LC/MS Neg 100001067 5360 373.27482 1553-56-6 159623 HMDB00502
delta-tocopherol Cofactors and Vitamins Tocopherol Metabolism 33418 LC/MS Pos Late 100001216 2259 402.3492 119-13-1 92094 C14151 HMDB02902
deoxycarnitine Lipid Carnitine Metabolism 36747 LC/MS Pos Early 100001662 2052 146.11756 6249-56-5 134 C01181 HMDB01161
deoxycholate Lipid Secondary Bile Acid Metabolism 1114 LC/MS Neg 302 5294 391.28538 83-44-3 222528 C04483 HMDB00626
deoxycholic acid sulfate Lipid Secondary Bile Acid Metabolism 52969 LC/MS Neg 100006638 4880 235.11746
deoxymugineic acid Xenobiotics Food Component/Plant 57394 LC/MS Pos Early 100001816 1036 305.13433 74235-24-8
dexlansoprazole Xenobiotics Drug - Gastrointestinal 57668 LC/MS Pos Late 100015794 827 370.08316 138530-94-6 9578005 D08903
dexpanthenol Xenobiotics Chemical 38314 LC/MS Pos Early 100002376 1740 206.13869 16485-10-2 4678 D03726 HMDB04231
dextromethorphan Xenobiotics Drug - Respiratory 38301 LC/MS Pos Late 100000740 904 272.20089 18046-32-7 5362449 C06947 HMDB01920
diacetylchitobiose Carbohydrate Aminosugar Metabolism 35158 LC/MS Pos Early 100001492 790 425.17659 35061-50-8 439544 C01674 HMDB03556
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])* Lipid Diacylglycerol 54966 LC/MS Pos Late 100010940 2733 608.52486
diaminopimelate Xenobiotics Food Component/Plant 15130 LC/MS Pos Early 100000115 2569 191.10264 1476-39-7;2577-62-0 439283 C00666 HMDB01370
diethanolamine Xenobiotics Chemical 20691 LC/MS Pos Early 100000837 1960 106.08626 111-42-2 8113 C06772 HMDB04437
digalacturonic acid Xenobiotics Food Component/Plant 21046 LC/MS Neg 100000934 603.5 369.06746 5894-59-7 6857565 C02273 HMDB39721
diglycerol Xenobiotics Chemical 40700 LC/MS Pos Early 100003700 818 167.0914 627-82-7 42953
dihomo-linoleate (20:2n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 17805 LC/MS Neg 1231 5730 307.26425 2091-39-6 6439848 C16525 HMDB05060
dihomo-linolenate (20:3n3 or n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 35718 LC/MS Neg 100001739 5596 305.2486 17046-59-2 5280581 C03242 HMDB02925
dihomo-linolenoylcarnitine (20:3n3 or 6)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57521 LC/MS Pos Late 100015840 1392 450.35777
dihydoxyphenylalanine (L-DOPA) Amino Acid Tyrosine Metabolism 1576 LC/MS Pos Early 1129 2215 198.07609 59-92-7;63-84-3 6047 C00355 HMDB00181
dihydrocaffeate Xenobiotics Food Component/Plant 38273 LC/MS Neg 100002451 1430 181.05063 1078-61-1 348154 C10447 HMDB00423
dihydroferulic acid Xenobiotics Food Component/Plant 40481 LC/MS Neg 100003432 1928 195.06628 1135-23-5 14340
dihydroorotate Nucleotide Pyrimidine Metabolism, Orotate containing 601 LC/MS Polar 923 1910 157.02548 155-54-4 648 C00337 HMDB03349
dimethylarginine (SDMA + ADMA) Amino Acid Urea cycle; Arginine and Proline Metabolism 36808 LC/MS Pos Early 100001810 2850 203.15026 102783-24-4 123831 C03626 HMDB01539
dimethylglycine Amino Acid Glycine, Serine and Threonine Metabolism 5086 LC/MS Pos Early 806 1104 104.07061 1118-68-9 673 C01026 HMDB00092
dimethylmalonic acid Lipid Fatty Acid, Dicarboxylate 42978 LC/MS Polar 100004251 2702 131.03498 595-46-0 11686 HMDB02001
diosmetin Xenobiotics Food Component/Plant 48367 LC/MS Neg 100006022 4081 299.05611 520-34-3 5281612 C10038 HMDB29676
diosmin Xenobiotics Drug - Cardiovascular 48366 LC/MS Neg 100006010 3905 607.16684 520-27-4 5702226
diphenhydramine Xenobiotics Drug - Respiratory 38669 LC/MS Pos Late 100002732 911 256.16959 147-24-0 3100 C06960 HMDB01927
dipicolinate Xenobiotics Food Component/Plant 15135 LC/MS Pos Early 100000146 1695 168.02914 499-83-2 10367
docosadienoate (22:2n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 32415 LC/MS Neg 100001182 6034 335.29555 7370-49-2 5282807 C16533 HMDB61714
docosahexaenoate (DHA; 22:6n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 44675 LC/MS Neg 100000665 5525 327.23295 6217-54-5 445580 C06429 HMDB02183
docosapentaenoate (n3 DPA; 22:5n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 32504 LC/MS Neg 100001181 5571 329.2486 2234-74-4 6441454 C16513 HMDB06528
dodecanedioate (C12-DC) Lipid Fatty Acid, Dicarboxylate 32388 LC/MS Neg 100001102 2990 229.14453 693-23-2 12736 C02678 HMDB00623
dopamine Amino Acid Tyrosine Metabolism 12130 LC/MS Pos Early 1748 2385 154.08626 62-31-7 681 C03758 HMDB00073
dopamine 3-O-sulfate Amino Acid Tyrosine Metabolism 48407 LC/MS Neg 100006361 1556.2 232.02845 122136 C13690 HMDB06275
D-urobilin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 40084 LC/MS Pos Late 100002569 935 589.30207 3947-38-4 6276321 C05795 HMDB04161
ectoine Xenobiotics Chemical 35651 LC/MS Pos Early 100001635 1980 143.08151 96702-03-3 126041 C06231
eicosanoylsphingosine (d20:1)* Lipid Sphingolipid Metabolism 57597 LC/MS Pos Late 100015870 1443 328.321
eicosapentaenoate (EPA; 20:5n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 18467 LC/MS Neg 2050 5450 301.2173 10-2005-9;10417-94-4 446284 C06428 HMDB01999
eicosenoate (20:1) Lipid Long Chain Fatty Acid 33587 LC/MS Neg 100001335 5950 309.2799 5282768 C16526 HMDB02231
enterodiol Xenobiotics Food Component/Plant 39630 LC/MS Neg 100003072 4327 301.14453 80226-00-2 123725
enterolactone Xenobiotics Food Component/Plant 39626 LC/MS Neg 100003070 4515 297.11323 78473-71-9 10685477
epiandrosterone sulfate Lipid Androgenic Steroids 33973 LC/MS Neg 100001287 4855 369.17411 22229-22-7 9929317
epicatechin Xenobiotics Food Component/Plant 17774 LC/MS Neg 2070 2868 289.07176 490-46-0 72276 C09727 HMDB01871
ergosterol Lipid Sterol 27553 LC/MS Pos Late 100001020 2420 379.33594 57-87-4 444679 C01694 HMDB00878
eriodictyol Xenobiotics Food Component/Plant 39611 LC/MS Neg 100002887 3120 287.05611 552-58-9 11095 C05631 HMDB05810
erucate (22:1n9) Lipid Long Chain Fatty Acid 1552 LC/MS Neg 1087 6355.6 337.3112 112-86-7 5281116 C08316 HMDB02068
erucoylcarnitine (C22:1)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57525 LC/MS Pos Late 100015841 1535 482.4204
erythronate* Carbohydrate Aminosugar Metabolism 42420 LC/MS Polar 100001320 2186 135.02989 88759-55-1 2781043 HMDB00613
erythrose Xenobiotics Food Component/Plant 27722 LC/MS Neg 100001042 780 119.03498 583-50-6 94176 C01796 HMDB02649
escitalopram Xenobiotics Drug - Psychoactive 40459 LC/MS Pos Late 100003444 908 325.17107 219861-08-2 146570 D07913 HMDB05028
ethylmalonate Amino Acid Leucine, Isoleucine and Valine Metabolism 15765 LC/MS Polar 2054 2785 131.03498 601-75-2 11756 HMDB00622
famotidine Xenobiotics Drug - Gastrointestinal 42613 LC/MS Pos Early 100003964 2718 338.05221 76824-35-6 5702160 D00318 HMDB01919
fenofibrate Xenobiotics Drug - Metabolic 27554 LC/MS Pos Late 100001044 1480 361.12012 49562-28-9 3339 C07586 HMDB15173
ferulate Xenobiotics Food Component/Plant 35630 LC/MS Neg 100001542 1755 193.05063 537-98-4 445858 C01494 HMDB00954
ferulic acid 4-sulfate Xenobiotics Food Component/Plant 47114 LC/MS Neg 100005389 1200 273.00744 86321-29-1 6305574 HMDB29200
feruloylputrescine Xenobiotics Food Component/Plant 48518 LC/MS Pos Early 100006048 2862 265.15467 501-13-3 5281796 C10497
fexofenadine Xenobiotics Drug - Respiratory 42021 LC/MS Pos Late 100004018 944 502.29519 83799-24-0 3348 C06999 HMDB05030
flavin mononucleotide (FMN) Cofactors and Vitamins Riboflavin Metabolism 15797 LC/MS Neg 100000251 2390 455.09733 130-40-5 710 C00061 HMDB01520
formiminoglutamate Amino Acid Histidine Metabolism 43493 LC/MS Pos Early 100002500 1880 175.07134 816-90-0 439233 C00439 HMDB00854
fructose Carbohydrate Fructose, Mannose and Galactose Metabolism 48195 LC/MS Polar 878 2065 225.06159 57-48-7 5984 C00095 HMDB00660
fucitol Xenobiotics Food Component/Plant 38313 LC/MS Neg 100002455 816.1 165.07684 13074-06-1 3429
fucose Carbohydrate Pentose Metabolism 15587 LC/MS Pos Early 918 750 164.0917 2438-80-4 19466 C01018 HMDB00174
fumarate Energy TCA Cycle 1643 LC/MS Polar 330 3084 115.00368 100-17-8 444972 C00122 HMDB00134
furaneol sulfate Xenobiotics Food Component/Plant 54795 LC/MS Neg 100009328 1900 206.99688
gabapentin Xenobiotics Drug - Neurological 38686 LC/MS Neg 100002806 2407.4 170.11865 60142-96-3 3446 D00332 HMDB05015
galactonate Carbohydrate Fructose, Mannose and Galactose Metabolism 27719 LC/MS Polar 100001026 3085 195.05102 299-28-5 128869 C00880 HMDB00565
galacturonate Xenobiotics Food Component/Plant 20758 LC/MS Polar 100000873 3527.2 193.03537 91510-62-2 84740 C08348 HMDB02545
gamma-CEHC Cofactors and Vitamins Tocopherol Metabolism 44876 LC/MS Neg 100002094 3843 263.12888 178167-75-4 133098 HMDB01931
gamma-glutamylalanine Peptide Gamma-glutamyl Amino Acid 37063 LC/MS Pos Early 100001843 1986 219.09755 5875-41-2 440103 HMDB29142
gamma-glutamyl-alpha-lysine Peptide Gamma-glutamyl Amino Acid 55015 LC/MS Pos Early 100010901 2784 276.1554 65254
gamma-glutamyl-epsilon-lysine Peptide Gamma-glutamyl Amino Acid 33934 LC/MS Pos Early 100001262 2717 276.1554 17105-15-6 7015685 HMDB03869
gamma-glutamylglutamate Peptide Gamma-glutamyl Amino Acid 36738 LC/MS Neg 331 598.3 275.08847 1116-22-9 92865 C05282 HMDB11737
gamma-glutamylglutamine Peptide Gamma-glutamyl Amino Acid 2730 LC/MS Pos Early 1140 1430 276.11902 10148-81-9 150914 C05283 HMDB11738
gamma-glutamylglycine Peptide Gamma-glutamyl Amino Acid 33949 LC/MS Pos Early 100001294 1535 205.0819 1948-29-4 165527 HMDB11667
gamma-glutamylhistidine Peptide Gamma-glutamyl Amino Acid 18245 LC/MS Pos Early 1235 2740 285.11935 37460-15-4 7017195
gamma-glutamylisoleucine* Peptide Gamma-glutamyl Amino Acid 34456 LC/MS Pos Early 100001485 2940 261.1445 14253342 HMDB11170
gamma-glutamylleucine Peptide Gamma-glutamyl Amino Acid 18369 LC/MS Pos Early 1268 2991 261.1445 2566-39-4 151023 HMDB11171
gamma-glutamylmethionine Peptide Gamma-glutamyl Amino Acid 44872 LC/MS Pos Early 100001313 2640 279.10092 17663-87-5 7009567 HMDB29155
gamma-glutamylphenylalanine Peptide Gamma-glutamyl Amino Acid 33422 LC/MS Neg 100000491 1825 293.11429 7432-24-8 111299 HMDB00594
gamma-glutamyltyrosine Peptide Gamma-glutamyl Amino Acid 2734 LC/MS Pos Early 1102 2518 311.12377 7432-23-7 94340 HMDB11741
gamma-tocopherol/beta-tocopherol Cofactors and Vitamins Tocopherol Metabolism 52473 LC/MS Pos Late 100008998 2384 416.36427
gamma-tocotrienol Cofactors and Vitamins Tocopherol Metabolism 37501 LC/MS Pos Late 100001981 1918 410.3179 14101-61-2 5282349 C14155 HMDB12958
genistein Xenobiotics Food Component/Plant 32448 LC/MS Neg 100001221 3754 269.04554 446-72-0 5280961 C06563 HMDB03217
gentisate Amino Acid Tyrosine Metabolism 18280 LC/MS Polar 100000447 905 153.01933 490-79-9 3469 C00628 HMDB00152
gentisic acid-5-glucoside Xenobiotics Chemical 48729 LC/MS Neg 100006372 1434 315.07215 1820-89-9 10914066
gluconate Xenobiotics Food Component/Plant 587 LC/MS Polar 338 2922 195.05102 527-07-1 10690 C00257 HMDB00625
glucose Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 48152 LC/MS Polar 572 2342 225.06159 50-99-7 79025 C00031 HMDB00122
glucuronate Carbohydrate Aminosugar Metabolism 15443 LC/MS Polar 100000257 3233.3 193.03537 207300-70-7 444791 C00191 HMDB00127
glutamate Amino Acid Glutamate Metabolism 57 LC/MS Pos Early 561 1500 148.06044 56-86-0 611 C00025 HMDB00148
glutamate, gamma-methyl ester Amino Acid Glutamate Metabolism 33487 LC/MS Pos Early 100001103 2170 162.07609 1499-55-4;1499-55-4 68662 HMDB61715
glutamine Amino Acid Glutamate Metabolism 53 LC/MS Pos Early 563 1291 147.07642 56-85-9 5961 C00064 HMDB00641
glutaminylleucine Peptide Dipeptide 42994 LC/MS Pos Early 100003160 3009 260.16049 18218208 HMDB29153
glutamyl-meso-diaminopimelate Xenobiotics Bacterial/Fungal 53163 LC/MS Pos Early 100008986 2555 320.14523
glutarate (C5-DC) Lipid Fatty Acid, Dicarboxylate 396 LC/MS Polar 339 2900 131.03498 110-94-1 743 C00489 HMDB00661
glycerate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1572 LC/MS Polar 1052 2070.4 105.01933 600-19-1 752 C00258 HMDB00139
glycerol Lipid Glycerolipid Metabolism 15122 LC/MS Neg 1254 758 91.04007 56-81-5 753 C00116 HMDB00131
glycerol 3-phosphate Lipid Glycerolipid Metabolism 43847 LC/MS Pos Early 100000258 580 173.02095 29849-82-9 754 C00093 HMDB00126
glycerophosphoethanolamine Lipid Phospholipid Metabolism 37455 LC/MS Pos Early 100001620 659 216.06315 33049-08-0 123874 C01233 HMDB00114
glycerophosphoglycerol Lipid Glycerolipid Metabolism 48857 LC/MS Pos Early 100001619 520 247.05773 439964 C03274
glycerophosphoinositol* Lipid Phospholipid Metabolism 52307 LC/MS Pos Early 100001621 516 335.07378 16824-65-0 167572
glycerophosphorylcholine (GPC) Lipid Phospholipid Metabolism 15990 LC/MS Pos Early 100000269 672 258.1101 28319-77-9 71920 C00670 HMDB00086
glycerophosphoserine* Lipid Phospholipid Metabolism 57404 LC/MS Pos Early 100015666 577 260.05298 3081457
glycine Amino Acid Glycine, Serine and Threonine Metabolism 58 LC/MS Pos Early 340 1375 76.03931 56-40-6 750 C00037 HMDB00123
glycitein Xenobiotics Food Component/Plant 34024 LC/MS Pos Early 100001222 3245 285.07575 40957-83-3 5317750 C14536 HMDB05781
glycochenodeoxycholate Lipid Primary Bile Acid Metabolism 32346 LC/MS Neg 1628 5236.1 448.30684 16564-43-5 12544 C05466 HMDB00637
glycocholate Lipid Primary Bile Acid Metabolism 18476 LC/MS Neg 342 5163 464.30176 475-31-0;863-57-0 10140 C01921 HMDB00138
glycocholenate sulfate* Lipid Secondary Bile Acid Metabolism 32599 LC/MS Neg 100001989 4750 254.62291
glycodeoxycholate Lipid Secondary Bile Acid Metabolism 18477 LC/MS Neg 100000436 5281 448.30684 360-65-6 3035026 C05464 HMDB00631
glycolithocholate sulfate* Lipid Secondary Bile Acid Metabolism 32620 LC/MS Neg 100001657 5011 255.63073 15324-64-8 72222 C11301 HMDB02639
glycosyl ceramide (d18:1/20:0, d16:1/22:0)* Lipid Ceramides 57595 LC/MS Pos Late 100015882 3414 756.6348
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) Lipid Ceramides 53013 LC/MS Pos Late 100009272 2623 700.5722
glycosyl-N-stearoyl-sphingosine (d18:1/18:0) Lipid Ceramides 52234 LC/MS Pos Late 100001882 3053 728.6035
glycoursodeoxycholate Lipid Secondary Bile Acid Metabolism 39379 LC/MS Neg 100002911 5033 448.30684 64480-66-6 12310288 HMDB00708
glycylisoleucine Peptide Dipeptide 36659 LC/MS Pos Early 100001790 3002 189.12337 19461-38-2 88079 HMDB28844
glycylleucine Peptide Dipeptide 34398 LC/MS Pos Early 100001258 3059 189.12337 869-19-2 92843 C02155 HMDB00759
glycylvaline Peptide Dipeptide 18357 LC/MS Pos Early 100000487 2734 175.10772 1963-21-9 97417 HMDB28854
glycyrrhetinate Xenobiotics Food Component/Plant 39789 LC/MS Neg 100002856 5371.4 469.33233 471-53-4 18526330 C02283 HMDB11628
guanidinoacetate Amino Acid Creatine Metabolism 43802 LC/MS Pos Early 344 1937 118.06111 352-97-6 763 C00581 HMDB00128
guanine Nucleotide Purine Metabolism, Guanine containing 32352 LC/MS Pos Early 172 2032 152.05669 73-40-5 764 C00242 HMDB00132
guanosine Nucleotide Purine Metabolism, Guanine containing 1573 LC/MS Pos Early 1099 1728 284.09895 118-00-3 6802 C00387 HMDB00133
guanosine-2',3'-cyclic monophosphate Nucleotide Purine Metabolism, Guanine containing 37139 LC/MS Neg 74 1480 344.04016 15718-49-7 92823 C06194 HMDB11629
harmane Xenobiotics Food Component/Plant 27536 LC/MS Pos Early 100000799 3234 183.09168 486-84-0 5281404 C09209 HMDB35196
heme Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 41754 LC/MS Pos Late 100001386 1124 616.1762 14875-96-8 26945 C00032 HMDB03178
heptadecasphingosine (d17:1) Lipid Sphingolipid Metabolism 57427 LC/MS Pos Late 100015724 1377 286.27406 6918-48-5 5283557
heptanoate (7:0) Lipid Medium Chain Fatty Acid 1644 LC/MS Neg 925 3670 129.0921 111-14-8 8094 C17714 HMDB00666
hesperetin Xenobiotics Food Component/Plant 27514 LC/MS Neg 100001039 3679 301.07176 41001-90-5 72281 C01709 HMDB05782
hesperidin Xenobiotics Food Component/Plant 21300 LC/MS Neg 100000838 3867 609.18249 520-26-3 10621 C09755 HMDB03265
hexadecadienoate (16:2n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 57652 LC/MS Neg 100009394 5398 251.20165 28290-73-5 HMDB00477
hexadecanedioate (C16-DC) Lipid Fatty Acid, Dicarboxylate 35678 LC/MS Neg 100001614 4615 285.20713 505-54-4 10459 C19615 HMDB00672
hexadecasphinganine (d16:0)* Lipid Sphingolipid Metabolism 57544 LC/MS Pos Late 100015865 1300 274.27406 656816 C13915
hexadecasphingosine (d16:1)* Lipid Sphingolipid Metabolism 57428 LC/MS Pos Late 100015723 1289 272.25841
hexadecatrienoate (16:3n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 57651 LC/MS Neg 100009393 5330 249.186 7561-64-0 5312428
hexanoylglycine Lipid Fatty Acid Metabolism(Acyl Glycine) 35436 LC/MS Neg 100001527 2900 172.09791 24003-67-6 99463 HMDB00701
hippurate Xenobiotics Benzoate Metabolism 15753 LC/MS Neg 100000014 2106.9 178.05096 495-69-2 464 C01586 HMDB00714
histamine Amino Acid Histidine Metabolism 1574 LC/MS Pos Early 354 3035 112.08693 51-45-6 774 C00388 HMDB00870
histidine Amino Acid Histidine Metabolism 59 LC/MS Neg 355 755.9 154.0622 5934-29-2 6274 C00135 HMDB00177
histidylalanine Peptide Dipeptide 42027 LC/MS Pos Early 100003542 3014 227.11387 16874-75-2 351667 HMDB28878
homocitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 22138 LC/MS Pos Early 100000963 1908 190.11862 1190-49-4 65072 C02427 HMDB00679
homovanillate sulfate Amino Acid Tyrosine Metabolism 38349 LC/MS Neg 100002250 1047 261.00744 38339-06-9 29981063 HMDB11719
hydantoin-5-propionic acid Amino Acid Histidine Metabolism 40473 LC/MS Pos Early 100002514 1045 173.05569 5624-26-0 782 C05565 HMDB01212
hydrochlorothiazide Xenobiotics Drug - Cardiovascular 39625 LC/MS Neg 100002734 2046 295.95719 58-93-5 3639 C07041 HMDB01928
hydroxymethylpyrimidine Cofactors and Vitamins Thiamine Metabolism 57565 LC/MS Pos Early 100003365 2207 140.08184 73-67-6 777 C01279
trans-4-hydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism 32306 LC/MS Pos Early 1001 1064 132.06552 51-35-4 5810 C01157 HMDB00725
hyocholate Lipid Secondary Bile Acid Metabolism 34093 LC/MS Neg 100001279 5046 407.28029 547-75-1 92805 C17649 HMDB00760
hypoxanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 3127 LC/MS Neg 171 1291.2 135.03123 68-94-0 790 C00262 HMDB00157
ibuprofen Xenobiotics Drug - Analgesics, Anesthetics 17799 LC/MS Neg 1487 4925 205.1234 15687-27-1 3672 D00126 HMDB01925
imidazole lactate Amino Acid Histidine Metabolism 15716 LC/MS Pos Early 100000263 2040 157.06077 14403-45-3 440129 C05568 HMDB02320
imidazole propionate Amino Acid Histidine Metabolism 40730 LC/MS Pos Early 100003434 2263 141.06586 1074-59-5 70630 HMDB02271
indole Amino Acid Tryptophan Metabolism 33965 LC/MS Neg 100000264 4302 116.05057 120-72-9 798 C00463 HMDB00738
indole-3-acetamide Xenobiotics Chemical 37448 LC/MS Pos Early 100002095 2306 175.08659 879-37-8 397 C02693 HMDB29739
indole-3-carboxylic acid Amino Acid Tryptophan Metabolism 38116 LC/MS Neg 100002185 1710 160.0404 771-50-6 69867 C19837 HMDB03320
indoleacetate Amino Acid Tryptophan Metabolism 27513 LC/MS Neg 100001034 2200 174.05605 6505-45-9 802 C00954 HMDB00197
indoleacetylaspartate Xenobiotics Food Component/Plant 39613 LC/MS Neg 100003110 1685 289.08299 2456-73-7 446620 HMDB38666
indolelactate Amino Acid Tryptophan Metabolism 18349 LC/MS Neg 100000463 2286 204.06661 832-97-3 92904 C02043 HMDB00671
indolepropionate Amino Acid Tryptophan Metabolism 32405 LC/MS Neg 100001083 2795 188.0717 830-96-6 3744 HMDB02302
indolin-2-one Xenobiotics Food Component/Plant 43374 LC/MS Pos Early 100004318 2575 134.06004 59-48-3 321710 C12312
inosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1123 LC/MS Pos Early 361 1269 269.08805 58-63-9 6021 C00294 HMDB00195
isobutyrylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 35437 LC/MS Neg 100001590 1420 144.06661 15926-18-8 10855600 HMDB00730
isocaproate (i6:0) Lipid Fatty Acid, Branched 22273 LC/MS Neg 100000806 2570 115.07645 646-07-1 12587 HMDB00689
isoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1125 LC/MS Pos Early 376 2800 132.10191 73-32-5 6306 C00407 HMDB00172
isoleucylglycine Peptide Dipeptide 40008 LC/MS Neg 100003169 1992 187.10881 868-28-0 342532 HMDB28907
isoursodeoxycholate Lipid Secondary Bile Acid Metabolism 57577 LC/MS Neg 100002488 4809 391.28538 78919-26-3 127601 C17662 HMDB00686
isovalerate (i5:0) Amino Acid Leucine, Isoleucine and Valine Metabolism 44656 LC/MS Neg 100000708 1564 101.0608 503-74-2 10430 C08262 HMDB00718
isovalerylglycine Amino Acid Leucine, Isoleucine and Valine Metabolism 35107 LC/MS Neg 100001452 1950 158.08226 16284-60-9 546304 HMDB00678
I-urobilinogen Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 32426 LC/MS Neg 100001226 4190 591.31881 14684-37-8 26818 C05790 HMDB04157
kynurenate Amino Acid Tryptophan Metabolism 1417 LC/MS Neg 98 2224 188.03531 492-27-3 3845 C01717 HMDB00715
kynurenine Amino Acid Tryptophan Metabolism 15140 LC/MS Pos Early 100000265 2739 209.09207 2922-83-0 161166 C00328 HMDB00684
lactate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 527 LC/MS Polar 482 1468.8 89.02442 79-33-4 612 C00186 HMDB00190
lactobionate Carbohydrate Disaccharides and Oligosaccharides 20685 LC/MS Neg 100000826 645 357.10385 96-82-2 7314
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)* Lipid Sphingolipid Metabolism 57422 LC/MS Pos Late 100015623 3842 946.71892
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)* Lipid Ceramides 57370 LC/MS Pos Late 100015620 3778 972.73457
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0) Lipid Ceramides 53010 LC/MS Pos Late 100009030 2527 862.62502 4201-62-1
LAHSA (18:2/OH-18:0)* Lipid Fatty Acid Hydroxyl Fatty Acid 57390 LC/MS Pos Late 100015655 2936 580.52992
lanosterol Lipid Sterol 1128 LC/MS Pos Late 395 2687 409.38289 79-63-0 246983 C01724 HMDB01251
laurate (12:0) Lipid Medium Chain Fatty Acid 1645 LC/MS Neg 181 5300 199.17035 143-07-7 3893 C02679 HMDB00638
laurylcarnitine (C12) Lipid Fatty Acid Metabolism(Acyl Carnitine) 34534 LC/MS Pos Late 100001392 1235 344.27954 25518-54-1 10427569 HMDB02250
leucine Amino Acid Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos Early 397 2864 132.10191 61-90-5 6106 C00123 HMDB00687
leucylalanine Peptide Dipeptide 40010 LC/MS Pos Early 100003179 2801 203.13902 7298-84-2 259321 HMDB28922
leucylglutamine* Peptide Dipeptide 48189 LC/MS Pos Early 100003183 2620 260.1605 4305457 HMDB28927
leucylglycine Peptide Dipeptide 40045 LC/MS Neg 100003185 2050 187.10881 686-50-0 79070 HMDB28929
levulinate (4-oxovalerate) Xenobiotics Food Component/Plant 22177 LC/MS Pos Early 100000765 1433 99.04406 123-76-2 11579 HMDB00720
lignoceroyl ethanolamide (24:0)* Lipid Endocannabinoid 57535 LC/MS Pos Late 100015855 2445 412.41491
lignoceroylcarnitine (C24)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57515 LC/MS Pos Late 100015834 1603 512.46733
limonin Xenobiotics Food Component/Plant 48132 LC/MS Pos Early 100005950 3340 471.20135 1180-71-8 179651 D00173,C03514
linoleate (18:2n6) Lipid Polyunsaturated Fatty Acid (n3 and n6) 1105 LC/MS Neg 180 5535 279.23295 60-33-3 5280450 C01595 HMDB00673
linolenate [alpha or gamma; (18:3n3 or 6)] Lipid Polyunsaturated Fatty Acid (n3 and n6) 34035 LC/MS Neg 100001337 5450 277.2173 5280934 C06426 HMDB03073
linolenoylcarnitine (C18:3)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57511 LC/MS Pos Late 100015831 1310 422.32649
linolenoyl-linolenoyl-glycerol (18:3/18:3) [1]* Lipid Diacylglycerol 54951 LC/MS Pos Late 100010932 2229 630.50921 HMDB07278
linolenoyl-linolenoyl-glycerol (18:3/18:3) [2]* Lipid Diacylglycerol 54952 LC/MS Pos Late 100010933 2268 630.50921 HMDB07278
linoleoyl ethanolamide Lipid Endocannabinoid 52608 LC/MS Neg 100006726 6150 322.27515 68171-52-8 5283446 HMDB12252
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]* Lipid Diacylglycerol 54956 LC/MS Pos Late 100010923 2624 658.54051 HMDB07257
linoleoylcarnitine (C18:2)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 46223 LC/MS Pos Late 100003151 1430 424.34214 36816-10-1 6450015 HMDB06469
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]* Lipid Diacylglycerol 54963 LC/MS Pos Late 100010926 2426 632.52486 HMDB07249
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]* Lipid Diacylglycerol 54964 LC/MS Pos Late 100010927 2478 632.52486 HMDB07250
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* Lipid Diacylglycerol 54968 LC/MS Pos Late 100010941 2689 634.54051 HMDB07248
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]* Lipid Diacylglycerol 54969 LC/MS Pos Late 100010942 2760 634.54051 HMDB07248
liquiritigenin Xenobiotics Food Component/Plant 39607 LC/MS Neg 100002326 3345 255.06628 578-86-9 1889 C09762 HMDB29519
lisinopril Xenobiotics Drug - Cardiovascular 54787 LC/MS Pos Early 100009389 3292 406.23365 76547-98-3 3937
lithocholate Lipid Secondary Bile Acid Metabolism 1483 LC/MS Neg 405 5372 375.29047 434-13-9 9903 C03990 HMDB00761
loperamide Xenobiotics Drug - Gastrointestinal 38648 LC/MS Pos Late 100002799 1075 477.23034 34552-83-5 3955 C07080 HMDB04999
loratadine Xenobiotics Drug - Respiratory 38643 LC/MS Pos Late 100002800 1031 383.15209 79794-75-5 3957 D00364 HMDB05000
L-urobilin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 40173 LC/MS Neg 100002568 4624 593.33446 34217-90-8 5280818 C05793 HMDB04159
lysine Amino Acid Lysine Metabolism 1301 LC/MS Pos Early 407 2850 147.11281 56-87-1 5962 C00047 HMDB00182
lysylleucine Peptide Dipeptide 40020 LC/MS Pos Early 100003196 3370 260.19687 7369-79-1 4682588 HMDB28955
malate Energy TCA Cycle 1303 LC/MS Neg 409 615.6 133.01425 6915-15-7 525 C00149 HMDB00156
maleate Lipid Fatty Acid, Dicarboxylate 20676 LC/MS Polar 100000707 2640 115.00368 110-16-7 444266 C01384 HMDB00176
malonate Lipid Fatty Acid Synthesis 15872 LC/MS Polar 818 3447 103.00368 141-82-2;26522-22-85-0 867 C00383 HMDB00691
malonylcarnitine Lipid Fatty Acid Synthesis 37059 LC/MS Pos Early 100001526 2086 248.11287 853728-01-5 22833583 HMDB02095
maltitol/lactitol/cellobiotol/palatinol Carbohydrate Disaccharides and Oligosaccharides 57379 LC/MS Neg 100015645 750 343.12458
maltol Xenobiotics Food Component/Plant 38299 LC/MS Pos Early 100002362 1896 127.03897 118-71-8 8369 C11918 HMDB30776
maltose Carbohydrate Glycogen Metabolism 15586 LC/MS Polar 913 3329.4 387.11442 6363-53-7 10991489 C00208 HMDB00163
maltotetraose Carbohydrate Glycogen Metabolism 15910 LC/MS Neg 100000275 910 665.21458 34612-38-9 446495 C02052 HMDB01296
maltotriose Carbohydrate Glycogen Metabolism 44688 LC/MS Neg 100000276 812 503.16175 1109-28-0 439586 C01835 HMDB01262
mannitol/sorbitol Carbohydrate Fructose, Mannose and Galactose Metabolism 46142 LC/MS Polar 100001740 2320 181.07176 5780 C00794 HMDB00247
mannose Carbohydrate Fructose, Mannose and Galactose Metabolism 48153 LC/MS Polar 803 2200 225.06159 3458-28-4 18950 C00159 HMDB00169
margarate (17:0) Lipid Long Chain Fatty Acid 1121 LC/MS Neg 891 5731 269.2486 506-12-7 10465 HMDB02259
margaroylcarnitine (C17)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57512 LC/MS Pos Late 100004054 1424 414.35779 106182-29-0 HMDB06210
metformin Xenobiotics Drug - Metabolic 38306 LC/MS Pos Early 100002405 2817 130.10873 1115-70-4 4091 C07151 HMDB01921
methionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Pos Early 415 2526 150.05833 63-68-3 6137 C00073 HMDB00696
methionine sulfone Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 44878 LC/MS Pos Early 100004635 1250 182.04816 820-10-0 69961
methionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 18374 LC/MS Pos Early 100000039 1272 166.05325 3226-65-1 158980 C02989 HMDB02005
methyl glucopyranoside (alpha + beta) Xenobiotics Food Component/Plant 46144 LC/MS Pos Early 100005864 832 212.11268
methyl indole-3-acetate Xenobiotics Food Component/Plant 1584 LC/MS Pos Early 1104 3380 190.08626 1912-33-0 74706 HMDB29738
methylmalonate (MMA) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 1496 LC/MS Polar 418 3078.4 117.01933 516-05-2 487 C02170 HMDB00202
methylphosphate Nucleotide Purine and Pyrimidine Metabolism 37070 LC/MS Pos Early 100001805 544 112.99983 7023-27-0 13130 HMDB61711
methylsuccinate Amino Acid Leucine, Isoleucine and Valine Metabolism 15745 LC/MS Polar 2051 2800 131.03498 498-21-5 10349 HMDB01844
metoprolol acid metabolite* Xenobiotics Drug - Cardiovascular 34109 LC/MS Pos Early 100001385 2950 268.15434 56392-14-4 62936
mevalonate Lipid Mevalonate Metabolism 39583 LC/MS Polar 30 1462 147.06628 96949-03-0 439230 C02104 HMDB00227
mevalonate 5-diphosphate Lipid Mevalonate Metabolism 38324 LC/MS Neg 31 575 306.99895 108869-00-7 439418 C01143 HMDB01981
mevalonolactone Lipid Mevalonate Metabolism 48118 LC/MS Pos Early 100000772 1375 131.07027 674-26-0 10428 HMDB06024
m-tyramine Amino Acid Tyrosine Metabolism 39581 LC/MS Pos Early 100002797 2701 138.09134 588-05-6 11492 HMDB04989
myo-inositol Lipid Inositol Metabolism 1124 LC/MS Polar 363 3506.3 225.06159 87-89-8 892 C00137 HMDB00211
myristate (14:0) Lipid Long Chain Fatty Acid 1365 LC/MS Neg 519 5440 227.20165 544-63-8 11005 C06424 HMDB00806
myristoleate (14:1n5) Lipid Long Chain Fatty Acid 32418 LC/MS Neg 100001198 5346.9 225.186 544-64-9 5281119 C08322 HMDB02000
myristoylcarnitine (C14) Lipid Fatty Acid Metabolism(Acyl Carnitine) 33952 LC/MS Pos Late 100001270 1350 372.31084 18822-89-4 6426854 HMDB05066
N('1)-acetylspermidine Amino Acid Polyamine Metabolism 57689 LC/MS Pos Early 187 3075 188.17574 14278-49-0 496 C00612 HMDB01276
N(1)-acetylspermine Amino Acid Polyamine Metabolism 32360 LC/MS Pos Early 1200 3356 245.23359 77928-70-2 916 C02567 HMDB01186
N-(2-furoyl)glycine Xenobiotics Food Component/Plant 31536 LC/MS Pos Early 100001086 1600 170.04479 5657-19-2;5657-19-2 21863 HMDB00439
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH)) Lipid Sphingolipid Metabolism 57697 LC/MS Pos Late 100015642 2692 554.51429 34839-02-6
N1,N12-diacetylspermine Amino Acid Polyamine Metabolism 52987 LC/MS Pos Early 100002132 3105 287.24416 61345-83-3 132680 C03413 HMDB02172
N1-Methyl-2-pyridone-5-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 40469 LC/MS Neg 100001468 1668 151.0513 701-44-0 69698 C05842 HMDB04193
N2,N5-diacetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 43591 LC/MS Pos Early 100004575 1310 217.11829 39825-23-5 10398396
N2-acetyllysine Amino Acid Lysine Metabolism 36751 LC/MS Polar 100001721 3372.6 187.10881 1946-82-3 92907 C12989 HMDB00446
N6,N6,N6-trimethyllysine Amino Acid Lysine Metabolism 1498 LC/MS Pos Early 189 2825 189.15976 23284-33-5 440120 C03793 HMDB01325
N6-acetyllysine Amino Acid Lysine Metabolism 36752 LC/MS Neg 100001734 1059 187.10881 692-04-6 92832 C02727 HMDB00206
N6-carboxyethyllysine Amino Acid Lysine Metabolism 37458 LC/MS Neg 100001769 680 217.11938 3/2/5746
N6-carboxymethyllysine Carbohydrate Advanced Glycation End-product 36713 LC/MS Pos Early 100001768 2500 205.11829 4/3/5746 123800
N6-formyllysine Amino Acid Lysine Metabolism 17895 LC/MS Pos Early 100000486 1992 175.10772 1190-48-3 70923
N6-methyladenosine Nucleotide Purine Metabolism, Adenine containing 37114 LC/MS Pos Early 213 2264 282.11969 1867-73-8 1869 HMDB04044
N-acetyl-1-methylhistidine* Amino Acid Histidine Metabolism 43255 LC/MS Pos Early 100004299 2100 212.1028 193270
N-acetyl-3-methylhistidine* Amino Acid Histidine Metabolism 43256 LC/MS Pos Early 100002204 2056 212.10297 37841-04-6 193270
N-acetylalanine Amino Acid Alanine and Aspartate Metabolism 1585 LC/MS Neg 1110 861.2 130.05096 97-69-8 88064 C02847 HMDB00766
N-acetylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 33953 LC/MS Pos Early 100001266 2245 217.12952 155-84-0 67427 C02562 HMDB04620
N-acetylasparagine Amino Acid Alanine and Aspartate Metabolism 33942 LC/MS Pos Early 100001257 785 175.07134 4033-40-3 99715 HMDB06028
N-acetylaspartate (NAA) Amino Acid Alanine and Aspartate Metabolism 22185 LC/MS Polar 100000787 3143 174.04079 997-55-7;997-55-7 65065 C01042 HMDB00812
N-acetyl-aspartyl-glutamate (NAAG) Amino Acid Glutamate Metabolism 35665 LC/MS Neg 100001612 575.3 303.08339 3106-85-2 5255 C12270 HMDB01067
N-acetyl-beta-glucosaminylamine Carbohydrate Aminosugar Metabolism 35469 LC/MS Neg 1216 759 219.09864 4229-38-3 439454 C01239 HMDB01104
N-acetyl-cadaverine Amino Acid Lysine Metabolism 43530 LC/MS Pos Early 100002249 2385 145.13354 32343-73-0 189087 HMDB02284
N-acetylcitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 48434 LC/MS Neg 100001577 940 216.09898 33965-42-3 656979 C15532 HMDB00856
N-acetylcysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1586 LC/MS Pos Early 1107 1416 164.0376 616-91-1 12035 C06809 HMDB01890
N-acetylglucosamine 6-sulfate Carbohydrate Aminosugar Metabolism 21365 LC/MS Polar 100000700 1777 300.03947 10357-00-3 193456 C04132 HMDB00841
N-acetylglucosamine/N-acetylgalactosamine Carbohydrate Aminosugar Metabolism 46539 LC/MS Pos Early 100006435 715 222.0972 24139 HMDB00215
N-acetylglucosaminylasparagine Carbohydrate Aminosugar Metabolism 48149 LC/MS Pos Early 1215 1212 336.14015 2776-93-4 123826 C04540 HMDB00489
N-acetylglutamate Amino Acid Glutamate Metabolism 15720 LC/MS Pos Early 100000282 1050 190.071 8/3/5817 70914 C00624 HMDB01138
N-acetylglutamine Amino Acid Glutamate Metabolism 33943 LC/MS Pos Early 100001253 845 189.08699 2490-97-3 182230 C02716 HMDB06029
N-acetylglycine Amino Acid Glycine, Serine and Threonine Metabolism 27710 LC/MS Polar 100001006 1780 116.03531 543-24-8 10972 HMDB00532
N-acetylhistamine Amino Acid Histidine Metabolism 48679 LC/MS Pos Early 100006123 2287 154.09749 673-49-4 69602 C05135 HMDB13253
N-acetylhistidine Amino Acid Histidine Metabolism 33946 LC/MS Pos Early 100001293 2065 198.08732 39145-52-3 75619 C02997 HMDB32055
N-acetylisoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 33967 LC/MS Neg 100001276 2325 172.09791 3077-46-1 2802421 HMDB61684
N-acetylleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1587 LC/MS Neg 1082 2400 172.09791 1188-21-2 70912 C02710 HMDB11756
N-acetylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1589 LC/MS Neg 1083 1787 190.05434 65-82-7 448580 C02712 HMDB11745
N-acetylmethionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 45428 LC/MS Pos Early 100005463 880 208.06381 108646-71-5 193368
N-acetylmuramate Carbohydrate Aminosugar Metabolism 18354 LC/MS Neg 100000283 860 292.10379 10597-89-4 5462244 C02713 HMDB60493
N-acetylneuraminate Carbohydrate Aminosugar Metabolism 32377 LC/MS Pos Early 1162 660 310.11326 131-48-6 439197 C00270 HMDB00230
N-acetylphenylalanine Amino Acid Phenylalanine Metabolism 33950 LC/MS Neg 100001256 2597 206.08226 2018-61-3 74839 C03519 HMDB00512
N-acetylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 34387 LC/MS Pos Early 100001334 1695 158.08117 1074-79-9 322640
N-acetylputrescine Amino Acid Polyamine Metabolism 37496 LC/MS Pos Early 192 2230 131.11789 18233-70-0 122356 C02714 HMDB02064
N-acetylpyrraline Xenobiotics Food Component/Plant 48438 LC/MS Neg 100006120 2545 295.12994
N-acetylserotonin Amino Acid Tryptophan Metabolism 1500 LC/MS Pos Early 193 1975 219.11281 1210-83-9 903 C00978 HMDB01238
N-acetylsphingosine Lipid Sphingolipid Metabolism 17772 LC/MS Neg 1302 6000 340.28571 3102-57-6 5497136 C00195 HMDB04950
N-acetyltaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 48187 LC/MS Neg 100005466 800 166.01795 159864
N-acetylthreonine Amino Acid Glycine, Serine and Threonine Metabolism 33939 LC/MS Neg 100001274 821.6 160.06153 17093-74-2 152204
N-acetyltryptophan Amino Acid Tryptophan Metabolism 33959 LC/MS Neg 100001254 2630 245.09316 1218-34-4 700653 C03137 HMDB13713
N-acetyltyrosine Amino Acid Tyrosine Metabolism 32390 LC/MS Neg 100001104 1680 222.07718 537-55-3 68310 HMDB00866
N-acetylvaline Amino Acid Leucine, Isoleucine and Valine Metabolism 1591 LC/MS Neg 1084 1704 158.08226 96-81-1 66789 HMDB11757
N-alpha-acetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 32984 LC/MS Pos Early 100000285 2000 175.10772 8/9/6205 439232 C00437 HMDB03357
naringenin Xenobiotics Food Component/Plant 44663 LC/MS Neg 100000920 3437 271.06119 67604-48-2 932 C00509 HMDB02670
narirutin Xenobiotics Food Component/Plant 48134 LC/MS Neg 100005944 3700 579.17193 14259-46-2 442431 C09793
N-behenoyl-sphingadienine (d18:2/22:0)* Lipid Sphingolipid Metabolism 57372 LC/MS Pos Late 100015624 3911 620.59763
N-carbamoylalanine Amino Acid Alanine and Aspartate Metabolism 52340 LC/MS Pos Early 100006369 950 133.06077 77340-50-2 426409
N-carbamoylaspartate Nucleotide Pyrimidine Metabolism, Orotate containing 1594 LC/MS Polar 1108 3800 175.03604 923-37-5 93072 C00438 HMDB00828
N-carbamoylglutamate Xenobiotics Drug - Other 38749 LC/MS Pos Early 100002668 865 191.06625 1188-38-1 121396 C05829
N-carbamoylsarcosine Amino Acid Creatine Metabolism 38696 LC/MS Pos Early 100002606 920 133.06077 30565-25-4 439375 C01043 HMDB12265
N-delta-acetylornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 43249 LC/MS Pos Early 100004523 1877 175.10772 9920500
neoponcirin Xenobiotics Food Component/Plant 47399 LC/MS Neg 100005738 4385.6 593.18758 603-61-2;14259-47-3
nervonate (24:1n9)* Lipid Long Chain Fatty Acid 52674 LC/MS Neg 100001231 6804 365.3425 506-37-6 5281120 C08323 HMDB02368
nervonoylcarnitine (C24:1)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 57531 LC/MS Pos Late 100015846 1602 510.45168
N-formylanthranilic acid Amino Acid Tryptophan Metabolism 43549 LC/MS Neg 100004561 2150 164.03531 3342-77-6 101399 C05653 HMDB04089
N-formylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2829 LC/MS Neg 194 1543.8 176.03869 4289-98-9 439750 C03145 HMDB01015
N-formylphenylalanine Amino Acid Tyrosine Metabolism 48433 LC/MS Neg 100006056 2360 192.06661 13200-85-6 759256
N-glycolylneuraminate Xenobiotics Food Component/Plant 37123 LC/MS Pos Early 100001491 636 326.10818 1113-83-3 123802 C03410 HMDB00833
nicotianamine Xenobiotics Food Component/Plant 43026 LC/MS Pos Early 100004035 1800 304.15032 34441-14-0 9882882 C05324
nicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 594 LC/MS Pos Early 432 1942 123.05529 98-92-0 936 C00153 HMDB01406
nicotinamide riboside Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 33013 LC/MS Pos Early 100001310 2040 255.09755 1341-23-7 439924 C03150 HMDB00855
nicotinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 1504 LC/MS Pos Early 567 1673 124.03931 59-67-6 938 C00253 HMDB01488
nicotinate ribonucleoside Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 33471 LC/MS Pos Early 100001316 1536 256.08157 2625-49-2 161234 C05841 HMDB06809
nicotinic acid mononucleotide (NaMN) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 32461 LC/MS Pos Early 100001058 648 336.0479 321-02-8 5288991 C01185 HMDB01132
N-methylalanine Amino Acid Alanine and Aspartate Metabolism 37069 LC/MS Pos Early 100001823 1536 104.07061 600-21-5 5288725 C02721 HMDB01906
N-methyl-GABA Amino Acid Glutamate Metabolism 39577 LC/MS Pos Early 100003152 2109 118.08626 1119-48-8 70703 C15987
N-methylglutamate Amino Acid Glutamate Metabolism 31532 LC/MS Pos Early 100001131 1300 162.07609 35989-16-3 439377 C01046
N-methylhydantoin Amino Acid Creatine Metabolism 40006 LC/MS Neg 100002557 1425 113.03565 616-04-6 69217 C02565 HMDB03646
N-methylleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 35666 LC/MS Pos Early 100001581 2787 146.11756 66866-69-1 2777993
N-methylphenylalanine Amino Acid Phenylalanine Metabolism 42999 LC/MS Pos Early 100004042 2790 180.10191 2566-30-5 4657542
N-methylpipecolate Xenobiotics Bacterial/Fungal 47101 LC/MS Pos Early 100005383 1932 144.10191 41447-17-0 11286529
N-methylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 37431 LC/MS Pos Early 100001956 1335 130.08626 475-11-6 557
N-methyltaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42989 LC/MS Polar 100004056 1650 138.02303 107-68-6 7882
N-methyltryptophan Amino Acid Tryptophan Metabolism 37456 LC/MS Pos Early 100002083 2910 219.11281 526-31-8 914 C02983
N-monomethylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 43586 LC/MS Pos Early 100004488 2845 189.13461 53308-83-1 132862 C03884 HMDB29416
nonadecanoate (19:0) Lipid Long Chain Fatty Acid 1356 LC/MS Neg 892 6068 297.2799 646-30-0 12591 C16535 HMDB00772
norvaline Amino Acid Urea cycle; Arginine and Proline Metabolism 37426 LC/MS Pos Early 100002082 2582 118.08626 760-78-1 824 C01826 HMDB13716
N-palmitoylglycine Lipid Fatty Acid Metabolism(Acyl Glycine) 42092 LC/MS Neg 100003686 5580 312.25441 2441-41-0 151008 HMDB13034
N-palmitoylserine Lipid Endocannabinoid 57659 LC/MS Neg 100015640 5557 342.26498 58725-46-5;474943-14-1 6453686
N-palmitoyl-sphinganine (d18:0/16:0) Lipid Sphingolipid Metabolism 52604 LC/MS Pos Late 100009028 3090 540.53503 5966-29-0 5283572 HMDB11760
N-palmitoyl-sphingosine (d18:1/16:0) Lipid Ceramides 44877 LC/MS Pos Late 1518 2893 538.51937 24696-26-2 5283564 HMDB04949
N-palmitoyltaurine Lipid Endocannabinoid 39835 LC/MS Neg 100003239 5560 362.23705 83982-06-3
N-propionylalanine Amino Acid Alanine and Aspartate Metabolism 42993 LC/MS Neg 100004113 1335 144.06661 98632-97-4 321155
N-propionylmethionine Xenobiotics Chemical 43506 LC/MS Neg 100004125 2290 204.06998 52811-70-8 103692
N-stearoyl-sphinganine (d18:0/18:0)* Lipid Sphingolipid Metabolism 1759 LC/MS Pos Late 922 3526 568.56632 2304-80-5 5283573
N-stearoyl-sphingosine (d18:1/18:0)* Lipid Ceramides 54979 LC/MS Pos Late 1547 3392 566.55067 104404-17-3 5283565 HMDB04950
N-stearoyltaurine Lipid Endocannabinoid 39730 LC/MS Neg 100003240 5782 390.26835 63155-80-6 168274
N-trimethyl 5-aminovalerate Amino Acid Lysine Metabolism 57687 LC/MS Pos Early 100015962 2186 160.13321
O-acetylhomoserine Amino Acid Glycine, Serine and Threonine Metabolism 31539 LC/MS Polar 100001129 1850 160.06153 7540-67-2 439389 C01077
OAHSA (18:1/OH-18:0) Lipid Fatty Acid Hydroxyl Fatty Acid 57389 LC/MS Pos Late 100015654 3384 582.54561
octadecanedioate (C18-DC) Lipid Fatty Acid, Dicarboxylate 36754 LC/MS Neg 100001615 5043 313.23843 871-70-5 70095 HMDB00782
o-hydroxyatorvastatin Xenobiotics Drug - Metabolic 47883 LC/MS Neg 100005933 5015 573.24064 214217-86-4 9808225
oleanolate Xenobiotics Food Component/Plant 38286 LC/MS Neg 100002313 5563 455.35307 508-02-1 10494 C17148 HMDB02364
oleate/vaccenate (18:1) Lipid Long Chain Fatty Acid 52285 LC/MS Neg 100008930 5655 281.2486
oleoyl ethanolamide Lipid Endocannabinoid 38102 LC/MS Pos Late 1137 1661 326.30536 11-58-0;111-58-0 5283454 HMDB02088
oleoylcarnitine (C18:1) Lipid Fatty Acid Metabolism(Acyl Carnitine) 35160 LC/MS Pos Late 100001501 1423 426.35779 38677-66-6 6441392 HMDB05065
oleoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53260 LC/MS Pos Late 100009331 1449 368.35231
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]* Lipid Diacylglycerol 54970 LC/MS Pos Late 100010944 2819 634.54051 HMDB07220
oleoyl-linoleoyl-glycerol (18:1/18:2) [1] Lipid Diacylglycerol 46798 LC/MS Pos Late 100002989 3115 636.55616 106292-55-1 HMDB07219
oleoyl-linoleoyl-glycerol (18:1/18:2) [2] Lipid Diacylglycerol 46799 LC/MS Pos Late 100002990 3223 636.55616 104346-53-4 HMDB07219
oleoyl-oleoyl-glycerol (18:1/18:1) [1]* Lipid Diacylglycerol 54945 LC/MS Pos Late 100010918 3571 638.57181 HMDB07218
oleoyl-oleoyl-glycerol (18:1/18:1) [2]* Lipid Diacylglycerol 54946 LC/MS Pos Late 100010919 3695 638.57181 HMDB07218
ornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 1493 LC/MS Pos Early 444 2800 133.09716 3184-13-2 6262 C00077 HMDB03374
orotate Nucleotide Pyrimidine Metabolism, Orotate containing 1505 LC/MS Polar 445 1638.1 155.00983 50887-69-9 967 C00295 HMDB00226
orotidine Nucleotide Pyrimidine Metabolism, Orotate containing 35172 LC/MS Polar 100001416 2250 287.05209 314-50-1 92751 HMDB00788
O-sulfo-L-tyrosine Xenobiotics Chemical 45413 LC/MS Neg 100005384 990 260.02343 514186
oxalate (ethanedioate) Cofactors and Vitamins Ascorbate and Aldarate Metabolism 20694 LC/MS Neg 100000841 603 88.98803 144-62-7 971 C00209 HMDB02329
PAHSA (16:0/OH-18:0) Lipid Fatty Acid Hydroxyl Fatty Acid 52622 LC/MS Pos Late 100009050 3411 556.52994
palmitate (16:0) Lipid Long Chain Fatty Acid 1336 LC/MS Neg 424 5618 255.23295 57-10-3 985 C00249 HMDB00220
palmitoleate (16:1n7) Lipid Long Chain Fatty Acid 33447 LC/MS Neg 452 5475 253.2173 373-49-9 445638 C08362 HMDB03229
palmitoleoylcarnitine (C16:1)* Lipid Fatty Acid Metabolism(Acyl Carnitine) 53223 LC/MS Pos Late 100009406 1357 398.32649 71464547
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]* Lipid Diacylglycerol 54967 LC/MS Pos Late 100010930 2664 608.52486 HMDB07132
palmitoyl dihydrosphingomyelin (d18:0/16:0)* Lipid Sphingolipid Metabolism 52434 LC/MS Pos Late 100008954 2290 705.5905 9939965
palmitoyl ethanolamide Lipid Endocannabinoid 38165 LC/MS Pos Late 1489 1643 300.28971 544-31-0 4671 C16512 HMDB02100
palmitoyl sphingomyelin (d18:1/16:0) Lipid Sphingolipid Metabolism 37506 LC/MS Pos Late 100002107 2168 703.57485 6254-89-3 9939941
palmitoylcarnitine (C16) Lipid Fatty Acid Metabolism(Acyl Carnitine) 44681 LC/MS Pos Late 100000776 1425 400.34214 6865-14-1 461 C02990 HMDB00222
palmitoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 52944 LC/MS Pos Late 100009233 1482 342.33666 151731
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]* Lipid Diacylglycerol 54965 LC/MS Pos Late 100010939 2834 608.52486 HMDB07105
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* Lipid Diacylglycerol 52633 LC/MS Pos Late 100009052 3080 610.54051 9543695 HMDB07103
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* Lipid Diacylglycerol 52634 LC/MS Pos Late 100009055 3197 610.54051 HMDB07103
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* Lipid Diacylglycerol 54942 LC/MS Pos Late 100010917 3695 612.55616 C13861 HMDB07102
pantetheine Cofactors and Vitamins Pantothenate and CoA Metabolism 57555 LC/MS Pos Early 100001495 2056 279.13731 496-65-1 439322 C00831
pantothenate Cofactors and Vitamins Pantothenate and CoA Metabolism 1508 LC/MS Pos Early 1024 1667 220.11795 137-08-6 6613 C00864 HMDB00210
paraxanthine Xenobiotics Xanthine Metabolism 18254 LC/MS Pos Early 100000453 1810 181.07201 611-59-6 4687 C13747 HMDB01860
p-cresol Xenobiotics Benzoate Metabolism 33444 LC/MS Neg 100001018 4154 107.05023 106-44-5 2879 C01468 HMDB01858
p-cresol sulfate Xenobiotics Benzoate Metabolism 36103 LC/MS Neg 100001315 2890 187.00705 3233-57-7 4615423 HMDB11635
phenethylamine Amino Acid Phenylalanine Metabolism 12142 LC/MS Pos Early 1207 3065 122.09643 64-04-0 1001 C05332 HMDB02017
phenol sulfate Amino Acid Tyrosine Metabolism 32553 LC/MS Neg 100001510 2156 172.9914 937-34-8 74426 C02180 HMDB60015
phenylacetate Amino Acid Phenylalanine Metabolism 15958 LC/MS Neg 100000011 2150 135.04515 103-82-2 999 C07086 HMDB00209
phenylacetylglutamate Peptide Acetylated Peptides 52925 LC/MS Pos Early 100009045 2390 266.1023 11579826 HMDB59772
phenylacetylglutamine Peptide Acetylated Peptides 35126 LC/MS Neg 100001417 2330 263.10373 28047-15-6 92258 C04148 HMDB06344
phenylacetylglycine Peptide Acetylated Peptides 33945 LC/MS Neg 100001275 2375 192.06661 500-98-1 68144 C05598 HMDB00821
phenylalanine Amino Acid Phenylalanine Metabolism 64 LC/MS Pos Early 460 2878 166.08626 63-91-2 6140 C00079 HMDB00159
phenylalanylalanine Peptide Dipeptide 41374 LC/MS Pos Early 100003589 2909 237.12337 3918-87-4 5488196
phenylalanylglycine Peptide Dipeptide 41370 LC/MS Pos Early 100003588 2898 223.10772 721-90-4 98207 HMDB28995
phenyllactate (PLA) Amino Acid Phenylalanine Metabolism 22130 LC/MS Neg 100000774 2208 165.05571 828-01-3 3848 C05607 HMDB00779
phenylpyruvate Amino Acid Phenylalanine Metabolism 566 LC/MS Neg 241 2515 163.04007 156-06-9 997 C00166 HMDB00205
pheophorbide A Xenobiotics Food Component/Plant 35879 LC/MS Pos Late 100001689 1562 593.27585 15664-29-6 5323510 C18021
phosphate Energy Oxidative Phosphorylation 42109 LC/MS Pos Early 461 576 98.98418 7664-38-2 1061 C00009 HMDB01429
choline phosphate Lipid Phospholipid Metabolism 34396 LC/MS Pos Early 267 700 184.07332 72556-74-2 1014 C00588 HMDB01565
p-hydroxyatorvastatin Xenobiotics Drug - Metabolic 47881 LC/MS Neg 100005939 4650 573.24064 265989-44-4 9851106
p-hydroxyatorvastatin lactone Xenobiotics Drug - Metabolic 47880 LC/MS Pos Late 100005938 990 557.24463
phytanate Xenobiotics Food Component/Plant 598 LC/MS Neg 466 5908 311.29555 14721-66-5 26840 C01607 HMDB00801
phytosphingosine Lipid Sphingolipid Metabolism 1510 LC/MS Pos Late 469 1367 318.30027 554-62-1 122121 C12144 HMDB04610
picolinate Amino Acid Tryptophan Metabolism 1512 LC/MS Pos Early 1022 910 124.03931 98-98-6 1018 C10164 HMDB02243
pimelate (C7-DC) Lipid Fatty Acid, Dicarboxylate 15704 LC/MS Polar 100000101 2745 159.06628 111-16-0 385 C02656 HMDB00857
pipecolate Amino Acid Lysine Metabolism 1444 LC/MS Pos Early 1025 2200 130.08626 4043-87-2 849 C00408 HMDB00070
piperidine Xenobiotics Food Component/Plant 38183 LC/MS Pos Early 100002398 2500 86.09643 110-89-4 8082 C01746 HMDB34301
piperine Xenobiotics Food Component/Plant 33935 LC/MS Pos Late 100001267 1168 286.14377 94-62-2 638024 C03882 HMDB29377
ponciretin Xenobiotics Food Component/Plant 40448 LC/MS Neg 100003286 4365 285.07684 480-43-3 5118250
pregn steroid monosulfate C21H34O5S* Lipid Pregnenolone Steroids 32619 LC/MS Neg 100002067 5000 397.20541 1247-64-9
pregnanolone/allopregnanolone sulfate Lipid Progestin Steroids 48394 LC/MS Neg 100006173 5160 397.20541
pregnen-diol disulfate C21H34O8S2* Lipid Pregnenolone Steroids 32562 LC/MS Neg 100001993 3868 238.07747
pregnenolone sulfate Lipid Pregnenolone Steroids 38170 LC/MS Neg 100002129 5100 395.18976 1247-64-9 105074 HMDB00774
pristanate Lipid Fatty Acid, Branched 38271 LC/MS Neg 477 5773 297.2799 1189-37-3 123929 HMDB00795
proline Amino Acid Urea cycle; Arginine and Proline Metabolism 1898 LC/MS Pos Early 480 1603 116.07061 147-85-3 145742 C00148 HMDB00162
prolylglycine Peptide Dipeptide 40703 LC/MS Pos Early 100003674 2136 173.09207 2578-57-6 6426709 HMDB11178
pro-hydroxy-pro Amino Acid Urea cycle; Arginine and Proline Metabolism 35127 LC/MS Pos Early 100001167 2128 229.11829 18684-24-7 11673055 HMDB06695
propionylglycine Lipid Fatty Acid Metabolism (also BCAA Metabolism) 31932 LC/MS Neg 100001150 960 130.05096 21709-90-0 98681 HMDB00783
protoporphyrin IX Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 39321 LC/MS Pos Late 100000292 1417 563.26529 553-12-8;50865-10-5 4971 C02191 HMDB00241
pseudoephedrine Xenobiotics Drug - Respiratory 39586 LC/MS Pos Early 100002738 3041 166.12264 90-82-4 7028 C02765 HMDB01943
pseudouridine Nucleotide Pyrimidine Metabolism, Uracil containing 33442 LC/MS Pos Early 821 800 245.07682 1445-07-4 15047 C02067 HMDB00767
pterin Cofactors and Vitamins Pterin Metabolism 43023 LC/MS Pos Early 100004216 1805 164.05669 22363-60-4 73000 C00715 HMDB00802
putrescine Amino Acid Polyamine Metabolism 1408 LC/MS Pos Early 49 3027 89.10733 110-60-1 1045 C00134 HMDB01414
pyridoxal Cofactors and Vitamins Vitamin B6 Metabolism 1651 LC/MS Pos Early 491 2343 168.06552 65-22-5 1050 C00250 HMDB01545
pyridoxamine Cofactors and Vitamins Vitamin B6 Metabolism 2150 LC/MS Pos Early 568 2975 169.09716 58052-48-5 1052 C00534 HMDB01431
pyridoxate Cofactors and Vitamins Vitamin B6 Metabolism 31555 LC/MS Neg 100001121 2185 182.04588 82-82-6 6723 C00847 HMDB00017
pyridoxine (Vitamin B6) Cofactors and Vitamins Vitamin B6 Metabolism 608 LC/MS Pos Early 936 2442 170.08117 58-56-0 1054 C00314 HMDB02075
pyroglutamine* Amino Acid Glutamate Metabolism 46225 LC/MS Pos Early 100001540 1900 129.06586 2353-44-8 134508
pyrraline Xenobiotics Food Component/Plant 48428 LC/MS Neg 100001767 2304 253.11938 74509-14-1 122228 HMDB33143
pyruvate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 22250 LC/MS Polar 823 2650 175.02481 127-17-3 1060 C00022 HMDB00243
quinate Xenobiotics Food Component/Plant 18335 LC/MS Polar 100000442 2432.9 191.05611 77-95-2 6508 C00296 HMDB03072
quinine Xenobiotics Drug - Antibiotic 39767 LC/MS Pos Early 100002968 3378 325.19106 130-95-0 2728270
quinolinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 1899 LC/MS Pos Early 182 845 168.02914 89-00-9 1066 C03722 HMDB00232
ranitidine Xenobiotics Drug - Gastrointestinal 38595 LC/MS Pos Early 100002735 2910 315.14854 66357-59-3 3001055 D00422 HMDB01930
rhoifolin Xenobiotics Food Component/Plant 48363 LC/MS Neg 100006018 3725 577.15628 17306-46-6 5282150 C12627
ribitol Carbohydrate Pentose Metabolism 15772 LC/MS Polar 100000406 1789.6 151.06119 488-81-3 6912 C00474 HMDB00508
riboflavin (Vitamin B2) Cofactors and Vitamins Riboflavin Metabolism 1827 LC/MS Pos Early 500 2292 377.14557 83-88-5 493570 C00255 HMDB00244
ribonate Carbohydrate Pentose Metabolism 27731 LC/MS Polar 100001007 2425 165.04046 8/3/5336 5460677 C01685 HMDB00867
ribose Carbohydrate Pentose Metabolism 1471 LC/MS Polar 914 1508.2 195.05103 50-69-1 5779 C00121 HMDB00283
ribulose/xylulose Carbohydrate Pentose Metabolism 48340 LC/MS Polar 100006122 1400 149.0455 5289590
rosmarinate Xenobiotics Food Component/Plant 39785 LC/MS Neg 100002776 2785 359.07724 537-15-5 5281792 C01850 HMDB03572
S-1-pyrroline-5-carboxylate Amino Acid Glutamate Metabolism 42370 LC/MS Pos Early 35 1528 114.05496 2906-39-0 1196 C04322 HMDB01301
saccharin Xenobiotics Food Component/Plant 21151 LC/MS Neg 100000870 2000 181.99173 81-07-2 5143 D01085 HMDB29723
saccharopine Amino Acid Lysine Metabolism 1495 LC/MS Neg 392 640 275.12486 997-68-2 160556 C00449 HMDB00279
salicylate Xenobiotics Drug - Topical Agents 1515 LC/MS Polar 501 802 137.02422 69-72-7 338 C00805 HMDB01895
S-allylcysteine Xenobiotics Food Component/Plant 43239 LC/MS Pos Early 100004509 2690 162.05833 21593-77-1 98280 HMDB34323
sarcosine Amino Acid Glycine, Serine and Threonine Metabolism 1516 LC/MS Pos Early 1023 1280 90.05496 107-97-1 1088 C00213 HMDB00271
S-carboxymethyl-L-cysteine Xenobiotics Drug - Other 47897 LC/MS Pos Early 100002324 1490 180.03251 638-23-3 1080 C03727 HMDB29415
sebacate (C10-DC) Lipid Fatty Acid, Dicarboxylate 32398 LC/MS Neg 100001211 1788 201.11323 111-20-6 5192 C08277 HMDB00792
secoisolariciresinol Xenobiotics Food Component/Plant 38105 LC/MS Neg 100002144 3945 361.16566 29388-59-8 65373 C18167 HMDB13692
secoisolariciresinol diglucoside Xenobiotics Food Component/Plant 40091 LC/MS Neg 100003073 3380 685.27131 148244-82-0 9917980
sedoheptulose Carbohydrate Pentose Metabolism 53237 LC/MS Pos Early 100002619 681 228.10778 3019-74-7 5459879 HMDB03219
serine Amino Acid Glycine, Serine and Threonine Metabolism 1648 LC/MS Pos Early 503 1239 106.04987 56-45-1 5951 C00065 HMDB00187
serotonin Amino Acid Tryptophan Metabolism 2342 LC/MS Pos Early 504 2550 177.10224 153-98-0 5202 C00780 HMDB00259
sertraline Xenobiotics Drug - Psychoactive 39757 LC/MS Pos Late 100002804 1070 306.08108 79559-97-0 68617 C07246 HMDB05010
silibinin Xenobiotics Drug - Metabolic 54791 LC/MS Neg 100006780 3655 481.11402 22888-70-6 31553 D08515
sitostanol Xenobiotics Food Component/Plant 52233 LC/MS Pos Late 100001983 3300 399.39854 19466-47-8 15559396 C19644 HMDB00494
skatol Amino Acid Tryptophan Metabolism 33021 LC/MS Neg 100001233 4875 130.06622 83-34-1 6736 C08313 HMDB00466
S-methylcysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 39592 LC/MS Pos Early 100002749 1955 119.01613 1187-84-4 24417 HMDB02108
S-methylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 38127 LC/MS Pos Early 100002183 2555 164.07398 12/7/3493 458 C05319 HMDB38670
solanidine Xenobiotics Food Component/Plant 39788 LC/MS Pos Late 100002773 1010 398.34175 80-78-4 65727 C06543 HMDB03236
spermidine Amino Acid Polyamine Metabolism 485 LC/MS Pos Early 50 3355 146.16518 124-20-9 1102 C00315 HMDB01257
sphingadienine Lipid Sphingolipid Metabolism 57426 LC/MS Pos Late 100015643 1350 298.27406 25696-03-1 6449795
sphinganine Lipid Sphingolipid Metabolism 17769 LC/MS Pos Late 313 1413 302.30536 3102-56-5 3126 C00836 HMDB00269
sphingosine Lipid Sphingolipid Metabolism 17747 LC/MS Pos Late 297 1393 300.28971 123-78-4 5353955 C00319 HMDB00252
stachydrine Xenobiotics Food Component/Plant 34384 LC/MS Pos Early 100001296 1440 144.10191 4136-37-2 115244 C10172 HMDB04827
stearate (18:0) Lipid Long Chain Fatty Acid 1358 LC/MS Neg 439 5872 283.26425 57-11-4 5281 C01530 HMDB00827
stearidonate (18:4n3) Lipid Polyunsaturated Fatty Acid (n3 and n6) 33969 LC/MS Neg 100001229 5395 275.20165 111174-40-4 5312508 C16300 HMDB06547
stearoyl ethanolamide Lipid Endocannabinoid 38625 LC/MS Pos Late 100002254 1787 328.32101 111-57-9 27902 HMDB13078
stearoylcarnitine (C18) Lipid Fatty Acid Metabolism(Acyl Carnitine) 34409 LC/MS Pos Late 100001391 1485 428.37344 18822-91-8 6426855 HMDB00848
steviol Xenobiotics Food Component/Plant 54797 LC/MS Neg 100009256 5327 317.21221 452967 C20212
stigmasterol Lipid Sterol 21183 LC/MS Pos Late 100000923 2875 395.36724 83-48-7 5280794 C05442 HMDB00937
suberate (C8-DC) Lipid Fatty Acid, Dicarboxylate 15730 LC/MS Neg 100000016 804.3 173.08193 505-48-6 10457 C08278 HMDB00893
succinate Energy TCA Cycle 1437 LC/MS Polar 252 3149 117.01933 110-15-6 1110 C00042 HMDB00254
succinimide Xenobiotics Chemical 41888 LC/MS Polar 100003696 2155 116.03532 123-56-8 11439 C07273
succinylcarnitine (C4-DC) Energy TCA Cycle 37058 LC/MS Pos Early 100001948 2291 262.12852 256928-74-2 71464481 HMDB61717
sucralose Xenobiotics Food Component/Plant 36649 LC/MS Neg 100001789 3140 395.00727 56038-13-2 71485 C12285 HMDB31554
sucrose Carbohydrate Disaccharides and Oligosaccharides 1519 LC/MS Polar 935 3092 387.11442 57-50-1 5988 C00089 HMDB00258
sulfate* Xenobiotics Chemical 46960 LC/MS Neg 100002528 616 96.9601 14808-79-8 1118 C00059 HMDB01448
syringic acid Xenobiotics Food Component/Plant 37091 LC/MS Neg 100001919 1450 197.04554 530-57-4 10742 C10833 HMDB02085
tartarate Xenobiotics Food Component/Plant 15336 LC/MS Neg 100000295 615.3 149.00916 87-69-4;6106-24-7 444305 C00898 HMDB00956
taurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2125 LC/MS Pos Early 512 660 126.02195 107-35-7 1123 C00245 HMDB00251
taurochenodeoxycholate Lipid Primary Bile Acid Metabolism 18494 LC/MS Neg 1629 5250 498.28948 6009-98-9 387316 C05465 HMDB00951
taurocholate Lipid Primary Bile Acid Metabolism 18497 LC/MS Neg 1648 5150 514.28439 145-42-6 6675 C05122 HMDB00036
taurocholenate sulfate Lipid Secondary Bile Acid Metabolism 32807 LC/MS Neg 100001990 4750 279.61422
taurodeoxycholate Lipid Secondary Bile Acid Metabolism 12261 LC/MS Neg 1668 5257.4 498.28948 207737-97-1 2733768 C05463 HMDB00896
taurolithocholate 3-sulfate Lipid Secondary Bile Acid Metabolism 36850 LC/MS Neg 100001658 5027 280.62205 64936-83-0 440071 C03642 HMDB02580
tauroursodeoxycholate Lipid Secondary Bile Acid Metabolism 39378 LC/MS Neg 100002912 5025 498.28948 14605-22-2 9848818 HMDB00874
tetrahydrocortisone Lipid Corticosteroids 38608 LC/MS Neg 100002403 5121 363.21769 53-05-4 5866 C05470 HMDB00903
theanine Xenobiotics Food Component/Plant 22206 LC/MS Pos Early 100000784 2180 175.10772 3081-61-6 439378 C01047 HMDB34365
theobromine Xenobiotics Xanthine Metabolism 18392 LC/MS Pos Early 100000445 1600 181.07201 83-67-0 5429 C07480 HMDB02825
theophylline Xenobiotics Xanthine Metabolism 18394 LC/MS Pos Early 100000437 1870 181.07201 58-55-9 2153 C07130 HMDB01889
thiamin (Vitamin B1) Cofactors and Vitamins Thiamine Metabolism 5341 LC/MS Pos Early 873 3050 265.11176 59-43-8 1130 C00378 HMDB00235
thioproline Xenobiotics Chemical 53231 LC/MS Pos Early 100009232 1250 134.02703 34592-47-4 93176
threonate Cofactors and Vitamins Ascorbate and Aldarate Metabolism 27738 LC/MS Polar 100001022 2384 135.02989 70753-61-6 151152 C01620 HMDB00943
threonine Amino Acid Glycine, Serine and Threonine Metabolism 1284 LC/MS Pos Early 564 1514 120.06552 72-19-5 6288 C00188 HMDB00167
threonylphenylalanine Peptide Dipeptide 31530 LC/MS Neg 100001125 2322 265.11938 16875-27-7 4099799 HMDB29068
thymidine Nucleotide Pyrimidine Metabolism, Thymine containing 2183 LC/MS Neg 872 1963.7 241.08299 50-89-5 5789 C00214 HMDB00273
thymine Nucleotide Pyrimidine Metabolism, Thymine containing 604 LC/MS Neg 882 1654 125.03565 65-71-4 1135 C00178 HMDB00262
tiglylcarnitine (C5:1-DC) Amino Acid Leucine, Isoleucine and Valine Metabolism 35428 LC/MS Pos Early 100001597 2962 244.15434 64191-86-2 22833596 HMDB02366
thymidine 5'-monophosphate Nucleotide Pyrimidine Metabolism, Thymine containing 12023 LC/MS Neg 1248 883 321.04933 33430-62-5 9700 C00364 HMDB01227
trans-nonadecenoate (tr 19:1)* Lipid Long Chain Fatty Acid 57485 LC/MS Neg 100015805 5824 295.26425
trans-urocanate Amino Acid Histidine Metabolism 607 LC/MS Pos Early 537 2285 139.05021 104-98-3 736715 C00785 HMDB00301
trazadone Xenobiotics Drug - Psychoactive 57691 LC/MS Pos Early 100015783 3498 372.15857 19794-93-5 5533 C07156,D08626 HMDB14794
tribuloside Xenobiotics Food Component/Plant 38175 LC/MS Neg 100002261 3933 593.13006 20316-62-5 5320686 C17140
tricarballylate Energy TCA Cycle 15729 LC/MS Neg 2053 578 175.02481 99-14-9 14925 C19806 HMDB31193
tridecanedioate (C13-DC) Lipid Fatty Acid, Dicarboxylate 43027 LC/MS Neg 100004262 3530 243.16018 505-52-2 10458 HMDB02327
trigonelline (N'-methylnicotinate) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 32401 LC/MS Pos Early 100001092 1388 138.05496 535-83-1 5570 C01004 HMDB00875
trimethylamine N-oxide Lipid Phospholipid Metabolism 40406 LC/MS Pos Early 100003397 2100 76.07569 1184-78-7 1145 C01104 HMDB00925
tryptamine Amino Acid Tryptophan Metabolism 6104 LC/MS Pos Early 1095 3062 161.10733 61-54-1 1150 C00398 HMDB00303
tryptophan Amino Acid Tryptophan Metabolism 54 LC/MS Pos Early 565 2986 205.09716 73-22-3 6305 C00078 HMDB00929
tryptophan betaine Amino Acid Tryptophan Metabolism 37097 LC/MS Pos Early 100001743 2673 247.14411 20671-76-5 442106 C09213 HMDB61115
tryptophylglycine Peptide Dipeptide 43028 LC/MS Pos Early 100003609 2930 262.11862 7360-09-0 263471 HMDB29083
tyramine Amino Acid Tyrosine Metabolism 1603 LC/MS Pos Early 1133 2540 138.09134 60-19-5 5610 C00483 HMDB00306
tyramine O-sulfate Amino Acid Tyrosine Metabolism 48408 LC/MS Neg 100006092 1565 216.0336 30223-92-8 153005 HMDB06409
tyrosine Amino Acid Tyrosine Metabolism 1299 LC/MS Pos Early 815 2430 182.08117 60-18-4 6057 C00082 HMDB00158
tyrosol Xenobiotics Food Component/Plant 41515 LC/MS Neg 100003493 2716 137.0608 501-94-0 10393 C06044 HMDB04284
tyrosylglycine Peptide Dipeptide 41375 LC/MS Neg 100003598 1635 237.08808 673-05-5 259323 HMDB29105
undecanedioate (C11-DC) Lipid Fatty Acid, Dicarboxylate 42395 LC/MS Neg 100001617 2440 215.12888 1852-04-6 15816 HMDB00888
uracil Nucleotide Pyrimidine Metabolism, Uracil containing 605 LC/MS Neg 825 1086 111.02 66-22-8 1174 C00106 HMDB00300
urate Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 1604 LC/MS Neg 1134 757.1 167.02106 69-93-2;120K5305 1175 C00366 HMDB00289
uridine Nucleotide Pyrimidine Metabolism, Uracil containing 606 LC/MS Neg 535 1457.6 243.06226 58-96-8 6029 C00299 HMDB00296
uridine-2',3'-cyclic monophosphate Nucleotide Pyrimidine Metabolism, Uracil containing 37137 LC/MS Neg 75 1090 305.01803 40632-52-8 439715 C02355 HMDB11640
ursocholate Lipid Secondary Bile Acid Metabolism 57573 LC/MS Neg 100002913 4648 407.28029 2955-27-3
ursodeoxycholate Lipid Secondary Bile Acid Metabolism 1605 LC/MS Neg 1135 5055 391.28538 128-13-2 31401 C07880 HMDB00946
ursodeoxycholate sulfate (1) Lipid Secondary Bile Acid Metabolism 52970 LC/MS Neg 100009261 4328 235.11746
ursodeoxycholate sulfate (2) Lipid Secondary Bile Acid Metabolism 52971 LC/MS Neg 100009262 4538 235.11746
valerate (5:0) Lipid Short Chain Fatty Acid 33443 LC/MS Neg 1136 1718 101.0608 109-52-4 7991 C00803 HMDB00892
valerylglycine Lipid Fatty Acid Metabolism(Acyl Glycine) 36768 LC/MS Neg 100001451 2071 158.08226 24003-66-5 4737557 HMDB00927
valerylphenylalanine Amino Acid Phenylalanine Metabolism 44577 LC/MS Neg 100004533 4176 248.12921 13890536
valine Amino Acid Leucine, Isoleucine and Valine Metabolism 1649 LC/MS Pos Early 566 2479 118.08626 72-18-4 6287 C00183 HMDB00883
valine betaine Amino Acid Leucine, Isoleucine and Valine Metabolism 57686 LC/MS Neg 100015963 1370 220.11904
valsartan Xenobiotics Drug - Cardiovascular 48566 LC/MS Pos Late 100006232 1092 436.23432 137862-53-4 5650
valylglutamine Peptide Dipeptide 42079 LC/MS Pos Early 100003640 2295 246.14484 42854-54-6 5253209 HMDB29125
valylglycine Peptide Dipeptide 40475 LC/MS Neg 100003641 1506 173.09316 686-43-1 136487 HMDB29127
valylleucine Peptide Dipeptide 39994 LC/MS Pos Early 100003210 3138 231.17032 22906-55-4 352039 HMDB29131
vanillactate Amino Acid Tyrosine Metabolism 54910 LC/MS Neg 100006129 1625 211.06119 2475-56-1 160637 HMDB00913
vanillate Xenobiotics Food Component/Plant 35639 LC/MS Neg 100001634 1100 167.03498 121-34-6 8468 C06672 HMDB00484
vanillin Xenobiotics Food Component/Plant 37442 LC/MS Neg 100002051 2311.9 151.04006 121-33-5 1183 C00755 HMDB12308
xanthine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 3147 LC/MS Pos Early 1004 1032 153.04071 69-89-6 1188 C00385 HMDB00292
xanthosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 15136 LC/MS Neg 100000299 1075 283.0684 146-80-5 64959 C01762 HMDB00299
xanthurenate Amino Acid Tryptophan Metabolism 15679 LC/MS Neg 100000015 1476 204.03023 59-007 5699 C02470 HMDB00881
xylose Carbohydrate Pentose Metabolism 15581 LC/MS Polar 826 1727 195.05103 609-06-3 135191 C00181 HMDB00098
METABOLITES_END
#END