#METABOLOMICS WORKBENCH jravilap_20180709_140743 DATATRACK_ID:1437 STUDY_ID:ST001000 ANALYSIS_ID:AN001878 PROJECT_ID:PR000677 VERSION 1 CREATED_ON March 4, 2019, 6:40 pm #PROJECT PR:PROJECT_TITLE Gut microbiome structure and metabolic activity in inflammatory bowel disease PR:PROJECT_SUMMARY The inflammatory bowel diseases (IBD), which include Crohn’s disease (CD) and PR:PROJECT_SUMMARY ulcerative colitis (UC), are multifactorial, chronic conditions of the PR:PROJECT_SUMMARY gastrointestinal tract. While IBD has been associated with dramatic changes in PR:PROJECT_SUMMARY the gut microbiota, changes in the gut metabolome -- the molecular interface PR:PROJECT_SUMMARY between host and microbiota -- are less-well understood. To address this gap, we PR:PROJECT_SUMMARY performed untargeted LC-MS metabolomic and shotgun metagenomic profiling of PR:PROJECT_SUMMARY cross-sectional stool samples from discovery (n=155) and validation (n=65) PR:PROJECT_SUMMARY cohorts of CD, UC, and non-IBD control subjects. Metabolomic and metagenomic PR:PROJECT_SUMMARY profiles were broadly correlated with fecal calprotectin levels (a measure of PR:PROJECT_SUMMARY gut inflammation). Across >8,000 measured metabolite features, we identified PR:PROJECT_SUMMARY chemicals and chemical classes that were differentially abundant (DA) in IBD, PR:PROJECT_SUMMARY including enrichments for sphingolipids and bile acids, and depletions for PR:PROJECT_SUMMARY triacylglycerols and tetrapyrroles. While >50% of DA metabolite features were PR:PROJECT_SUMMARY uncharacterized, many could be assigned putative roles through metabolomic PR:PROJECT_SUMMARY “guilt-by-association” (covariation with known metabolites). DA species and PR:PROJECT_SUMMARY functions from the metagenomic profiles reflected adaptation to oxidative stress PR:PROJECT_SUMMARY in the IBD gut, and were individually consistent with previous findings. PR:PROJECT_SUMMARY Integrating these data, however, we identified 122 robust associations between PR:PROJECT_SUMMARY DA species and well-characterized DA metabolites, indicating possible PR:PROJECT_SUMMARY mechanistic relationships that are perturbed in IBD. Finally, we found that PR:PROJECT_SUMMARY metabolome- and metagenome-based classifiers of IBD status were highly accurate PR:PROJECT_SUMMARY and, like the vast majority of individual trends, generalized well to the PR:PROJECT_SUMMARY independent validation cohort. Our findings thus provide an improved PR:PROJECT_SUMMARY understanding of perturbations of the microbiome-metabolome interface in IBD, PR:PROJECT_SUMMARY including identification of many potential diagnostic and therapeutic targets. PR:INSTITUTE Broad Institute of MIT and Harvard PR:DEPARTMENT Metabolomics Platform PR:LAST_NAME Avila-Pacheco PR:FIRST_NAME Julian PR:ADDRESS 415 Main Street, Cambridge MA PR:EMAIL jravilap@broadinstitute.org PR:PHONE 617-714-8264 PR:CONTRIBUTORS Eric A. Franzosa, Alexandra Sirota-Madi, Julian Avila-Pacheco, Nadine Fornelos, PR:CONTRIBUTORS Henry J. Haiser, Stefan Reinker, Tommi Vatanen, A. Brantley Hall, Himel Mallick, PR:CONTRIBUTORS Lauren J. McIver, Jenny S. Sauk, Robin G. Wilson, Betsy W. Stevens, Justin M. PR:CONTRIBUTORS Scott, Kerry Pierce, Amy A. Deik, Kevin Bullock, Floris Imhann, Jeffrey Porter, PR:CONTRIBUTORS Alexandra Zhernakova, Jingyuan Fu,7, Rinse K. Weersma, Cisca Wijmenga, Clary B. PR:CONTRIBUTORS Clish, Hera Vlamakis, Curtis Huttenhower, Ramnik J. Xavier #STUDY ST:STUDY_TITLE Gut microbiome structure and metabolic activity in inflammatory bowel disease ST:STUDY_SUMMARY The inflammatory bowel diseases (IBD), which include Crohn’s disease (CD) and ST:STUDY_SUMMARY ulcerative colitis (UC), are multifactorial, chronic conditions of the ST:STUDY_SUMMARY gastrointestinal tract. While IBD has been associated with dramatic changes in ST:STUDY_SUMMARY the gut microbiota, changes in the gut metabolome -- the molecular interface ST:STUDY_SUMMARY between host and microbiota -- are less-well understood. To address this gap, we ST:STUDY_SUMMARY performed untargeted LC-MS metabolomic and shotgun metagenomic profiling of ST:STUDY_SUMMARY cross-sectional stool samples from discovery (n=155) and validation (n=65) ST:STUDY_SUMMARY cohorts of CD, UC, and non-IBD control subjects. Metabolomic and metagenomic ST:STUDY_SUMMARY profiles were broadly correlated with fecal calprotectin levels (a measure of ST:STUDY_SUMMARY gut inflammation). Across >8,000 measured metabolite features, we identified ST:STUDY_SUMMARY chemicals and chemical classes that were differentially abundant (DA) in IBD, ST:STUDY_SUMMARY including enrichments for sphingolipids and bile acids, and depletions for ST:STUDY_SUMMARY triacylglycerols and tetrapyrroles. While >50% of DA metabolite features were ST:STUDY_SUMMARY uncharacterized, many could be assigned putative roles through metabolomic ST:STUDY_SUMMARY “guilt-by-association” (covariation with known metabolites). DA species and ST:STUDY_SUMMARY functions from the metagenomic profiles reflected adaptation to oxidative stress ST:STUDY_SUMMARY in the IBD gut, and were individually consistent with previous findings. ST:STUDY_SUMMARY Integrating these data, however, we identified 122 robust associations between ST:STUDY_SUMMARY DA species and well-characterized DA metabolites, indicating possible ST:STUDY_SUMMARY mechanistic relationships that are perturbed in IBD. Finally, we found that ST:STUDY_SUMMARY metabolome- and metagenome-based classifiers of IBD status were highly accurate ST:STUDY_SUMMARY and, like the vast majority of individual trends, generalized well to the ST:STUDY_SUMMARY independent validation cohort. Our findings thus provide an improved ST:STUDY_SUMMARY understanding of perturbations of the microbiome-metabolome interface in IBD, ST:STUDY_SUMMARY including identification of many potential diagnostic and therapeutic targets. ST:INSTITUTE Broad Institute of MIT and Harvard ST:DEPARTMENT Metabolomics Platform ST:LAST_NAME Avila-Pacheco ST:FIRST_NAME Julian ST:ADDRESS 415 Main Street ST:EMAIL jravilap@broadinstitute.org ST:PHONE 617-714-8264 ST:NUM_GROUPS 3 ST:TOTAL_SUBJECTS 220 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 7122 Diagnosis:CD Age=38; Fecal Calprotectin=207.4844286; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7147 Diagnosis:CD Age=50; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7150 Diagnosis:CD Age=41; Fecal Calprotectin=218.3345169; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7153 Diagnosis:CD Age=51; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7184 Diagnosis:CD Age=68; Fecal Calprotectin=20.16795055; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7238 Diagnosis:CD Age=67; Fecal Calprotectin=2.586246836; Antibiotic=Yes; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 7406 Diagnosis:CD Age=59; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7408 Diagnosis:CD Age=52; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7421 Diagnosis:CD Age=58; Fecal Calprotectin=79.33101196; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7445 Diagnosis:CD Age=58; Fecal Calprotectin=31.58757843; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7486 Diagnosis:CD Age=28; Fecal Calprotectin=242.3027889; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7496 Diagnosis:UC Age=24; Fecal Calprotectin=17.8983564; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7506 Diagnosis:UC Age=71; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7547 Diagnosis:CD Age=38; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7658 Diagnosis:CD Age=55; Fecal Calprotectin=99.67269917; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7662 Diagnosis:Control Age=32; Fecal Calprotectin=14.26646106; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7744 Diagnosis:CD Age=49; Fecal Calprotectin=11.53727657; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7759 Diagnosis:CD Age=29; Fecal Calprotectin=40.40057342; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7762 Diagnosis:UC Age=40; Fecal Calprotectin=7.213556298; Antibiotic=NA; Immunosuppresants=No; mesalamine=Yes; steroids=NA SUBJECT_SAMPLE_FACTORS - 7776 Diagnosis:UC Age=29; Fecal Calprotectin=17.99680068; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7791 Diagnosis:CD Age=34; Fecal Calprotectin=177.9509038; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7843 Diagnosis:CD Age=58; Fecal Calprotectin=156.1260396; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7847 Diagnosis:Control Age=23; Fecal Calprotectin=5.255600193; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7852 Diagnosis:UC Age=58; Fecal Calprotectin=68.00804692; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 7855 Diagnosis:Control Age=25; Fecal Calprotectin=86.77507536; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7858 Diagnosis:Control Age=27; Fecal Calprotectin=1.286773261; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7860 Diagnosis:Control Age=23; Fecal Calprotectin=2.237823511; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7861 Diagnosis:Control Age=23; Fecal Calprotectin=4.568271126; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7862 Diagnosis:Control Age=26; Fecal Calprotectin=0.66487987; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7870 Diagnosis:Control Age=26; Fecal Calprotectin=100.7606948; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7874 Diagnosis:Control Age=44; Fecal Calprotectin=1.623623245; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7875 Diagnosis:CD Age=45; Fecal Calprotectin=222.6020783; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7879 Diagnosis:Control Age=30; Fecal Calprotectin=18.58150448; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7897 Diagnosis:UC Age=32; Fecal Calprotectin=53.40255278; Antibiotic=Yes; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7899 Diagnosis:Control Age=24; Fecal Calprotectin=15.09041659; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7904 Diagnosis:Control Age=24; Fecal Calprotectin=17.08514674; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7906 Diagnosis:Control Age=24; Fecal Calprotectin=2.463272141; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7908 Diagnosis:Control Age=23; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7909 Diagnosis:Control Age=24; Fecal Calprotectin=6.012411533; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7910 Diagnosis:Control Age=24; Fecal Calprotectin=8.443665658; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7911 Diagnosis:Control Age=26; Fecal Calprotectin=39.74572902; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7912 Diagnosis:Control Age=25; Fecal Calprotectin=22.21640374; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7938 Diagnosis:CD Age=64; Fecal Calprotectin=117.600413; Antibiotic=Yes; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7941 Diagnosis:CD Age=32; Fecal Calprotectin=260.7605383; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7947 Diagnosis:CD Age=58; Fecal Calprotectin=49.10645493; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 7948 Diagnosis:CD Age=61; Fecal Calprotectin=77.86331173; Antibiotic=NA; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7955 Diagnosis:Control Age=43; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 7971 Diagnosis:CD Age=60; Fecal Calprotectin=3.438340599; Antibiotic=Yes; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 7989 Diagnosis:CD Age=36; Fecal Calprotectin=47.24389197; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8095 Diagnosis:CD Age=60; Fecal Calprotectin=108.7261189; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8096 Diagnosis:UC Age=26; Fecal Calprotectin=277.1280302; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8101 Diagnosis:UC Age=37; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8106 Diagnosis:UC Age=21; Fecal Calprotectin=265.5957403; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8129 Diagnosis:UC Age=22; Fecal Calprotectin=242.4148873; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8226 Diagnosis:CD Age=40; Fecal Calprotectin=260.1442274; Antibiotic=Yes; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8244 Diagnosis:Control Age=47; Fecal Calprotectin=1.744426082; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8264 Diagnosis:CD Age=42; Fecal Calprotectin=210.6600363; Antibiotic=Yes; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8275 Diagnosis:UC Age=65; Fecal Calprotectin=209.8254615; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8283 Diagnosis:Control Age=39; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8332 Diagnosis:Control Age=62; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8336 Diagnosis:CD Age=29; Fecal Calprotectin=254.2602042; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8361 Diagnosis:CD Age=47; Fecal Calprotectin=35.34317502; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8374 Diagnosis:CD Age=30; Fecal Calprotectin=230.5809067; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8377 Diagnosis:CD Age=24; Fecal Calprotectin=217.3391678; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8406 Diagnosis:CD Age=24; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8441 Diagnosis:UC Age=25; Fecal Calprotectin=7.645437604; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8444 Diagnosis:UC Age=69; Fecal Calprotectin=31.94173875; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8447 Diagnosis:UC Age=66; Fecal Calprotectin=164.5440314; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8452 Diagnosis:CD Age=26; Fecal Calprotectin=211.3303593; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8458 Diagnosis:UC Age=32; Fecal Calprotectin=10.79060455; Antibiotic=Yes; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8462 Diagnosis:CD Age=41; Fecal Calprotectin=144.6766125; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8464 Diagnosis:UC Age=28; Fecal Calprotectin=166.3894199; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8466 Diagnosis:CD Age=25; Fecal Calprotectin=8.5889148; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8467 Diagnosis:CD Age=27; Fecal Calprotectin=3.964913895; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8475 Diagnosis:CD Age=66; Fecal Calprotectin=239.1315988; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8480 Diagnosis:UC Age=35; Fecal Calprotectin=235.1431746; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8483 Diagnosis:CD Age=36; Fecal Calprotectin=206.1258351; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8485 Diagnosis:CD Age=51; Fecal Calprotectin=226.3352753; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8496 Diagnosis:CD Age=54; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8502 Diagnosis:UC Age=20; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8503 Diagnosis:UC Age=64; Fecal Calprotectin=12.4149981; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8511 Diagnosis:UC Age=27; Fecal Calprotectin=247.2258883; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8513 Diagnosis:UC Age=72; Fecal Calprotectin=32.01128065; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8515 Diagnosis:UC Age=64; Fecal Calprotectin=153.3174603; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8523 Diagnosis:CD Age=46; Fecal Calprotectin=230.6877896; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8534 Diagnosis:CD Age=57; Fecal Calprotectin=61.8516722; Antibiotic=Yes; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8537 Diagnosis:CD Age=42; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8550 Diagnosis:CD Age=30; Fecal Calprotectin=241.2056877; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8564 Diagnosis:CD Age=31; Fecal Calprotectin=20.65278471; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8565 Diagnosis:CD Age=55; Fecal Calprotectin=250.1612389; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8573 Diagnosis:CD Age=31; Fecal Calprotectin=34.07553177; Antibiotic=NA; Immunosuppresants=No; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8577 Diagnosis:CD Age=61; Fecal Calprotectin=213.1055049; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8589 Diagnosis:Control Age=58; Fecal Calprotectin=150.8025745; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8591 Diagnosis:CD Age=35; Fecal Calprotectin=237.6202683; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8592 Diagnosis:CD Age=61; Fecal Calprotectin=15.91906369; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8605 Diagnosis:UC Age=27; Fecal Calprotectin=231.3472333; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8624 Diagnosis:CD Age=29; Fecal Calprotectin=200.326318; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8628 Diagnosis:UC Age=71; Fecal Calprotectin=193.8259213; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8629 Diagnosis:CD Age=77; Fecal Calprotectin=1.534476839; Antibiotic=Yes; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8667 Diagnosis:UC Age=74; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8675 Diagnosis:CD Age=30; Fecal Calprotectin=23.67796344; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8683 Diagnosis:Control Age=82; Fecal Calprotectin=205.3519216; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8692 Diagnosis:UC Age=68; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8696 Diagnosis:UC Age=30; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8728 Diagnosis:UC Age=31; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8734 Diagnosis:UC Age=29; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8735 Diagnosis:UC Age=28; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8746 Diagnosis:CD Age=21; Fecal Calprotectin=NA; Antibiotic=Yes; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8749 Diagnosis:CD Age=25; Fecal Calprotectin=NA; Antibiotic=Yes; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8753 Diagnosis:CD Age=30; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8754 Diagnosis:Control Age=30; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8758 Diagnosis:CD Age=51; Fecal Calprotectin=NA; Antibiotic=Yes; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8764 Diagnosis:Control Age=30; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8765 Diagnosis:Control Age=31; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8774 Diagnosis:Control Age=30; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8776 Diagnosis:Control Age=32; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8778 Diagnosis:UC Age=37; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8783 Diagnosis:CD Age=28; Fecal Calprotectin=NA; Antibiotic=Yes; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8784 Diagnosis:Control Age=61; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8785 Diagnosis:UC Age=36; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8788 Diagnosis:Control Age=33; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8789 Diagnosis:Control Age=32; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8794 Diagnosis:CD Age=24; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - 8795 Diagnosis:UC Age=31; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8800 Diagnosis:CD Age=29; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8802 Diagnosis:CD Age=73; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=NA; steroids=No SUBJECT_SAMPLE_FACTORS - 8803 Diagnosis:UC Age=74; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8805 Diagnosis:UC Age=23; Fecal Calprotectin=240.0934009; Antibiotic=Yes; Immunosuppresants=No; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8806 Diagnosis:CD Age=31; Fecal Calprotectin=NA; Antibiotic=Yes; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8807 Diagnosis:CD Age=43; Fecal Calprotectin=209.8115204; Antibiotic=Yes; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8809 Diagnosis:UC Age=63; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8815 Diagnosis:UC Age=38; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8841 Diagnosis:CD Age=26; Fecal Calprotectin=22.06347476; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8843 Diagnosis:CD Age=28; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8844 Diagnosis:UC Age=27; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8846 Diagnosis:UC Age=55; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8847 Diagnosis:CD Age=22; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8849 Diagnosis:UC Age=33; Fecal Calprotectin=144.814361; Antibiotic=Yes; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8878 Diagnosis:CD Age=24; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8882 Diagnosis:UC Age=62; Fecal Calprotectin=223.9788365; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8892 Diagnosis:CD Age=26; Fecal Calprotectin=56.42716852; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8894 Diagnosis:UC Age=75; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 8898 Diagnosis:UC Age=29; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8924 Diagnosis:UC Age=31; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8932 Diagnosis:UC Age=72; Fecal Calprotectin=256.6085318; Antibiotic=Yes; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 8982 Diagnosis:UC Age=76; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 8998 Diagnosis:UC Age=62; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 9010 Diagnosis:UC Age=41; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 9018 Diagnosis:UC Age=30; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - 9030 Diagnosis:UC Age=59; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 9033 Diagnosis:UC Age=71; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 9074 Diagnosis:UC Age=35; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 9079 Diagnosis:UC Age=68; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - 9126 Diagnosis:Control Age=67; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - 9148 Diagnosis:Control Age=22; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - LLDeep_0001 Diagnosis:Control Age=40; Fecal Calprotectin=10; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0003 Diagnosis:Control Age=41; Fecal Calprotectin=46; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0010 Diagnosis:Control Age=26; Fecal Calprotectin=10; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0011 Diagnosis:Control Age=33; Fecal Calprotectin=91; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0012 Diagnosis:Control Age=32; Fecal Calprotectin=17.8; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0015 Diagnosis:Control Age=35; Fecal Calprotectin=97.5; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0018 Diagnosis:Control Age=28; Fecal Calprotectin=71.2; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0021 Diagnosis:Control Age=35; Fecal Calprotectin=21.5; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0022 Diagnosis:Control Age=35; Fecal Calprotectin=360; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0024 Diagnosis:Control Age=53; Fecal Calprotectin=125.2; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0026 Diagnosis:Control Age=53; Fecal Calprotectin=10; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0027 Diagnosis:Control Age=51; Fecal Calprotectin=20.9; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0028 Diagnosis:Control Age=50; Fecal Calprotectin=107; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0029 Diagnosis:Control Age=49; Fecal Calprotectin=28.9; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0030 Diagnosis:Control Age=48; Fecal Calprotectin=10; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0033 Diagnosis:Control Age=36; Fecal Calprotectin=14.3; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0034 Diagnosis:Control Age=32; Fecal Calprotectin=36.5; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0037 Diagnosis:Control Age=46; Fecal Calprotectin=16.3; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0039 Diagnosis:Control Age=40; Fecal Calprotectin=56.4; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0043 Diagnosis:Control Age=32; Fecal Calprotectin=46.6; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0047 Diagnosis:Control Age=52; Fecal Calprotectin=13.3; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - LLDeep_0052 Diagnosis:Control Age=51; Fecal Calprotectin=10; Antibiotic=No; Immunosuppresants=NA; mesalamine=NA; steroids=NA SUBJECT_SAMPLE_FACTORS - UMCGIBD00072 Diagnosis:CD Age=44; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00122 Diagnosis:UC Age=64; Fecal Calprotectin=64; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - UMCGIBD00030 Diagnosis:CD Age=61; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00167 Diagnosis:UC Age=63; Fecal Calprotectin=280; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00208 Diagnosis:UC Age=61; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00032 Diagnosis:CD Age=30; Fecal Calprotectin=46; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00529 Diagnosis:UC Age=64; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - UMCGIBD00371 Diagnosis:UC Age=28; Fecal Calprotectin=41; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00145 Diagnosis:CD Age=43; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00613 Diagnosis:UC Age=29; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00004 Diagnosis:UC Age=28; Fecal Calprotectin=2170; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - UMCGIBD00053 Diagnosis:UC Age=30; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00269 Diagnosis:UC Age=70; Fecal Calprotectin=510; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=Yes SUBJECT_SAMPLE_FACTORS - UMCGIBD00250 Diagnosis:UC Age=80; Fecal Calprotectin=2440; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00327 Diagnosis:UC Age=75; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00249 Diagnosis:UC Age=28; Fecal Calprotectin=130; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00461 Diagnosis:UC Age=67; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - UMCGIBD00266 Diagnosis:UC Age=23; Fecal Calprotectin=435; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00347 Diagnosis:UC Age=28; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00645 Diagnosis:UC Age=19; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00361 Diagnosis:UC Age=67; Fecal Calprotectin=57; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00485 Diagnosis:CD Age=36; Fecal Calprotectin=175; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00041 Diagnosis:CD Age=59; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=Yes; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00126 Diagnosis:CD Age=52; Fecal Calprotectin=86; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00082 Diagnosis:CD Age=48; Fecal Calprotectin=175; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00442 Diagnosis:CD Age=50; Fecal Calprotectin=340; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00412 Diagnosis:UC Age=28; Fecal Calprotectin=225; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00539 Diagnosis:UC Age=77; Fecal Calprotectin=415; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00077 Diagnosis:CD Age=55; Fecal Calprotectin=160; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00141 Diagnosis:CD Age=45; Fecal Calprotectin=305; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00389 Diagnosis:UC Age=67; Fecal Calprotectin=220; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00112 Diagnosis:CD Age=38; Fecal Calprotectin=625; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - UMCGIBD00508 Diagnosis:CD Age=21; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=Yes SUBJECT_SAMPLE_FACTORS - UMCGIBD00588 Diagnosis:UC Age=68; Fecal Calprotectin=440; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00106 Diagnosis:CD Age=42; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00393 Diagnosis:UC Age=65; Fecal Calprotectin=130; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00458 Diagnosis:CD Age=44; Fecal Calprotectin=165; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00254 Diagnosis:CD Age=71; Fecal Calprotectin=195; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00593 Diagnosis:UC Age=21; Fecal Calprotectin=40; Antibiotic=No; Immunosuppresants=No; mesalamine=Yes; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00233 Diagnosis:CD Age=32; Fecal Calprotectin=45; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00238 Diagnosis:CD Age=38; Fecal Calprotectin=305; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00027 Diagnosis:CD Age=51; Fecal Calprotectin=44; Antibiotic=No; Immunosuppresants=Yes; mesalamine=No; steroids=No SUBJECT_SAMPLE_FACTORS - UMCGIBD00064 Diagnosis:CD Age=43; Fecal Calprotectin=NA; Antibiotic=No; Immunosuppresants=No; mesalamine=No; steroids=Yes #COLLECTION CO:COLLECTION_SUMMARY PRISM subject stool samples were collected at the MGH gastroenterology clinic CO:COLLECTION_SUMMARY and stored at -80°C prior to DNA extraction. For the Netherlands validation CO:COLLECTION_SUMMARY cohort subjects enrolled collected stool at home and then froze it within 15 min CO:COLLECTION_SUMMARY in a conventional freezer. A research nurse visited all participants at home to CO:COLLECTION_SUMMARY collect home-frozen stool samples, which were then transported and stored at CO:COLLECTION_SUMMARY -80°C. The stool samples were kept frozen at -80°C prior to DNA extraction or CO:COLLECTION_SUMMARY metabolomic profiling. CO:SAMPLE_TYPE Stool CO:STORAGE_CONDITIONS Described in summary #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Stool samples (weight range 50-5­167.8 mg) were homogenized in 4 µL of water SP:SAMPLEPREP_SUMMARY per milligram stool sample weight using a bead mill (TissueLyser II; Qiagen) SP:SAMPLEPREP_SUMMARY and the aqueous homogenates were aliquoted for metabolite profiling analyses. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Waters 150 x 2 mm Atlantis HILIC column #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Detailed acquisition and data processing methods available in Fransoza et al. MS:MS_COMMENTS (2019) DOI 10.1038/s41564-018-0306-4 MS:MS_RESULTS_FILE ST001000_AN001878_Results.txt UNITS:abundance Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Abundance MS_METABOLITE_DATA_START Samples 7122 7147 7150 7153 7184 7238 7406 7408 7421 7445 7486 7496 7506 7547 7658 7662 7744 7759 7762 7776 7791 7843 7847 7852 7855 7858 7860 7861 7862 7870 7874 7875 7879 7897 7899 7904 7906 7908 7909 7910 7911 7912 7938 7941 7947 7948 7955 7971 7989 8095 8096 8101 8106 8129 8226 8244 8264 8275 8283 8332 8336 8361 8374 8377 8406 8441 8444 8447 8452 8458 8462 8464 8466 8467 8475 8480 8483 8485 8496 8502 8503 8511 8513 8515 8523 8534 8537 8550 8564 8565 8573 8577 8589 8591 8592 8605 8624 8628 8629 8667 8675 8683 8692 8696 8728 8734 8735 8746 8749 8753 8754 8758 8764 8765 8774 8776 8778 8783 8784 8785 8788 8789 8794 8795 8800 8802 8803 8805 8806 8807 8809 8815 8841 8843 8844 8846 8847 8849 8878 8882 8892 8894 8898 8924 8932 8982 8998 9010 9018 9030 9033 9074 9079 9126 9148 LLDeep_0001 LLDeep_0003 LLDeep_0010 LLDeep_0011 LLDeep_0012 LLDeep_0015 LLDeep_0018 LLDeep_0021 LLDeep_0022 LLDeep_0024 LLDeep_0026 LLDeep_0027 LLDeep_0028 LLDeep_0029 LLDeep_0030 LLDeep_0033 LLDeep_0034 LLDeep_0037 LLDeep_0039 LLDeep_0043 LLDeep_0047 LLDeep_0052 UMCGIBD00072 UMCGIBD00122 UMCGIBD00030 UMCGIBD00167 UMCGIBD00208 UMCGIBD00032 UMCGIBD00529 UMCGIBD00371 UMCGIBD00145 UMCGIBD00613 UMCGIBD00004 UMCGIBD00053 UMCGIBD00269 UMCGIBD00250 UMCGIBD00327 UMCGIBD00249 UMCGIBD00461 UMCGIBD00266 UMCGIBD00347 UMCGIBD00645 UMCGIBD00361 UMCGIBD00485 UMCGIBD00041 UMCGIBD00126 UMCGIBD00082 UMCGIBD00442 UMCGIBD00412 UMCGIBD00539 UMCGIBD00077 UMCGIBD00141 UMCGIBD00389 UMCGIBD00112 UMCGIBD00508 UMCGIBD00588 UMCGIBD00106 UMCGIBD00393 UMCGIBD00458 UMCGIBD00254 UMCGIBD00593 UMCGIBD00233 UMCGIBD00238 UMCGIBD00027 UMCGIBD00064 Factors Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:Control Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:Control Diagnosis:UC Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:CD Diagnosis:Control Diagnosis:UC Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:Control Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:Control Diagnosis:CD Diagnosis:UC Diagnosis:Control Diagnosis:Control Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:Control Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:Control Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:Control Diagnosis:CD Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:UC Diagnosis:CD Diagnosis:Control Diagnosis:UC Diagnosis:Control Diagnosis:Control Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:Control Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:UC Diagnosis:CD Diagnosis:CD Diagnosis:CD Diagnosis:CD 1-methylguanine 17.1701 0.0277991 0.0204992 0 63.307 12.718 288.785 0 21.2633 49.9001 3.83676 17.8705 18.507 0 106.9 0 0 63.1329 4.34723 798.555 25.1331 137.9 247.218 33.0572 235.361 249.77 179.884 42.6932 292.881 0.0591182 54.2887 59.8704 91.3507 194.607 48.5104 0 206.053 124.956 0.0244175 328.266 90.1934 62.2186 5.70012 21.8919 31.6182 0 165.872 0 210.651 27.3856 7.35586 34.8549 4.38148 0 38.9298 80.0475 232.859 32.3375 14.4647 24.2697 611.811 0 11.9095 0.0206504 43.0955 82.0621 20.6345 16.4747 880.069 0.0290487 5.81981 107.5 11.4166 234.688 9.55761 95.0857 0 0 0 338.92 87.7309 0 173.466 0 83.8221 824.938 13.1904 0 67.3887 83.8733 33.0104 0 175.967 0 43.883 25.2037 78.9617 15.5321 2550.21 0 0.019287 78.1035 7.36032 0 8.80151 0 299.008 247.195 62.54 8.49914 16.8524 74.14 54.9012 12.1238 36.0236 78.0996 0.0927057 0 17.3685 0 25.7112 36.7409 0 0 0 34.9416 15.9556 23.9883 0 88.154 0 213.075 810.953 14.1688 43.2691 0 0 123.18 0 151.321 61.4895 87.9386 0 0 40.9631 8.24314 150.47 14.644 43.23 0 22.0395 18.9558 124.52 241.023 20.4829 631.174 94.9307 99.726 144.654 454.67 400.775 133.514 110.393 196.215 329.08 62.4261 462.795 337.809 404.343 467.266 97.7188 499.832 150.75 248.445 790.414 422.657 391.061 295.335 45.7494 21.4797 165.047 39.7306 208.292 190.975 220.543 34.818 122.879 28.7768 54.5553 56.0759 86.0214 214.744 44.7887 326.741 58.1437 9.2849 820.806 110.567 62.8397 13.5412 10.1457 107.615 192.01 0 0 147.538 64.9908 217.711 330.25 0 18.5965 92.0039 21.073 0 120.4 208.771 19.0111 119.421 246.494 71.9812 1-methylnicotinamide 454.239 103.944 0 0 6.17649 10.087 35.0669 152.784 241.846 149.571 0 0 103.248 16.5426 41.4705 0 10.7161 9.75797 87.833 46.5837 25.0367 9.65934 179.582 21.8451 16.1911 348.688 0 107.945 413.698 0 10.3102 0 0 0 0 89.6118 28.4542 121.537 0 316.327 260.016 108.155 79.3948 74.894 79.6285 104.36 0 328.743 78.5834 105.48 0 78.558 22.6672 28.4246 83.1012 37.1012 116.516 50.3257 8.38761 29.1217 12.0036 114.14 187.095 50.7761 100.86 0 8.8285 71.2631 111.497 395.521 282.815 146.463 295.172 0 146.816 47.4031 12.2295 0 5837.36 28.8935 0 238.045 0 5.90248 21.1918 141.029 239.025 237.192 64.2754 585.403 0 0 329.099 128.187 220.011 15.4164 434.423 158.021 140.749 122.152 0 40.7127 0 49.3714 20.2638 83.5035 29.8365 68.4352 55.15 6.07183 0 45.8164 49.7692 0 0 0 7.57735 0 0 379.731 0 14.2914 136.677 25.2956 0 6.91047 12.1299 24.3382 40.5641 74.2023 240.497 81.9742 132.723 16.3497 85.9642 13.2507 0 21.7709 0 308.575 261.05 0 17.7439 0 122.676 0 74.0578 11.0849 98.7811 112.774 0 103.878 217.104 116.796 253.169 0 22.6145 274.469 0 0 0 23.4275 0 106.805 27.7765 0 47.0922 0 128.774 175.986 0 0 0 25.4165 63.4322 0 0 42.2527 354.26 51.4888 171.083 0 56.8908 0 16.6797 211.861 12.6402 0 0 8.8014 12.1108 12.8836 102.54 22.0442 591.377 30.9486 0 14.055 0 37.1816 99.1779 0 82.684 100.193 0 27.1975 194.31 0 230.002 694.116 0 135.398 632.785 33.3766 20.5003 63.4658 0 0 88.2876 267.929 2-deoxyadenosine 20.7759 0 21.0533 0 38.4573 0 0 0 6.61484 18.5239 6.216 17.9945 0 0 20.6862 36.2914 0 6.5259 8.23837 13.6953 71.5155 27.9163 24.0345 20.768 30.3472 147.734 1663.96 92.4424 180.535 7.41463 25.5551 10.6363 379.11 18.8309 27.9395 47.7917 48.783 560.962 26.2944 107.722 104.632 30.4786 12.7149 35.1493 16.1724 3.56062 52.5439 15.0792 0 4.20907 57.9307 0 9.91526 16.2921 192.658 0 17.3156 80.6206 0 0 8.28024 39.5517 0 56.7146 0 21.6523 19.117 14.9 9.08497 8.85256 8.28672 15.2764 8.06212 72.152 93.8934 0 7.91868 0 15.2345 0 20.9813 302.062 43.7496 0 70.0558 0 2793.94 7.19866 7.81628 50.3586 88.2213 8.11249 48.1276 9.14265 20.2407 47.4941 33.5949 13.8502 6.2283 8238.91 11.7623 25.0066 0 0 0 0 0 0 0 0 29.2066 0 0 26.4743 0 0 46.6933 0 0 0 0 289.362 0 0 0 15.5027 0 21.4508 0 4.48559 0 13.651 18.2259 0 0 0 0 33.2265 0 15.182 10.1177 0 0 0 86.7702 0 5808.34 0 0 0 0 1344.8 3823.74 7272.25 7581.22 430.499 105.698 104.313 62.2569 43.6628 976.199 541.031 262.396 1251.33 14.2728 24.279 42.7983 51.2927 28.9174 24.8455 271.116 5.92582 11.3654 70.4276 27.6952 3238.93 8.29492 9.78899 65.9509 195.362 13.3318 67.8222 35.3877 150.704 20.4691 54.4662 725.696 117.673 398.722 111.345 11.3911 31.9733 42.4704 0 19.9766 28.4213 50.5016 60.1466 280.72 5.81749 51.4882 108.304 146.204 6.23161 37.0213 76.6462 47.1065 186.777 66.4581 39.5378 400.138 76.6041 111.625 42.4645 23.0172 50.5077 97.1666 86.9201 171.028 150.636 2-hydroxyphenethylamine 268.093 33.0793 120.791 393.516 254.946 7449.21 717.918 1618.88 48.8306 7398.91 15.4147 77.39 30.1896 290.376 9.65754 52.4612 162.989 19.4983 208.211 39.137 30.9104 5448.41 83.767 1033.19 97.386 44.7713 78.7013 143.588 102.154 180.104 75.5695 2003.24 62.7172 780.915 77.3734 63.3541 41.6152 23.7378 1046.94 575.301 113.368 130.451 1760.64 2868.24 3293.39 79.2514 641.212 13.3408 2230.67 5532.02 32.8492 43.6484 2025.34 945.766 225.824 184.727 1899.92 587.604 17.8207 64.3468 10630.7 99.3957 2029.27 1223.67 1215.76 30.3827 17.6405 41.0304 7046.93 22.116 220.777 2200.31 3064.32 27.658 99.2704 28.1519 610.331 189.421 328.654 224.318 188.346 141.643 33.4355 200.515 337.423 215.238 1451.03 5418 406.962 762.009 98.7492 364.6 78.0494 1001.46 37.0284 52.9094 94.0801 65.4248 5033.29 136.55 2696.92 4917.24 132.501 93.6819 30.5955 83.1734 121.994 22.7882 818.63 518.254 22.4867 9924.89 50.8917 89.4181 56.2551 30.9417 38.9499 96.1907 335.78 72.6019 29.9255 34.7574 59.9518 33.072 138.926 0 24.7141 81.7117 0 2590.93 3671.85 790.069 232.517 1812.28 61.1771 254.479 1502.74 867.488 83.8529 127.996 109.65 16.1399 11247.8 48.6249 2717.41 686.548 343.316 74.6439 22.0954 349.297 38.2921 2869.27 28.6206 57.4902 13.0648 227.271 282.976 109.537 114.653 23.4802 67.5883 52.7146 83.5505 873.648 101.994 29.3716 41.7954 455.86 153.092 114.623 18.4112 80.5017 62.7673 109.132 142.192 78.977 30.6645 3580.25 3387.47 7539.23 299.989 9.47506 370.177 40.1081 24.146 236.382 34.7032 43.4563 335.81 511.235 105.825 20.1536 120.973 132.843 571.996 32.6271 8.79239 24.5418 129.48 293.234 3122.82 203.999 32.1715 266.462 1423.36 697.353 28.7311 2435.65 128.286 120.81 22.4816 97.9159 229.346 48.1149 11746.1 95.7419 512.397 116.676 153.059 29.8343 3-methylhistidine 21.8923 201.838 65.509 367.558 336.853 180.322 63.4967 175.503 130.662 39.2692 1417.7 369.635 90.2835 57.1758 40.8723 86.839 61.9027 554.584 687.728 2795.15 57.8753 344.251 854.55 212.42 615.108 192.119 97.2309 71.3263 1230.07 408.249 34.9924 202.657 31.5934 788.018 246.505 1432.38 56.1879 384.838 98.0382 35.6234 195.867 509.136 106.714 28.0786 23.809 47.8987 61.0465 211.089 192.262 35.4379 371.995 1035.17 127.828 375.161 196.883 232.345 99.8745 359.72 52.4352 24.7593 381.485 1016.05 859.023 675.002 84.032 139.484 30.7064 454.338 568.326 51.2879 305.983 197.922 29.2983 381.699 44.4059 744.481 720.968 437.929 29.8829 415.961 88.1463 629.854 378.914 96.1085 151.983 27.4433 368.538 412.573 1036.44 846.752 708.752 43.7283 157.003 53.567 322.879 339.967 336.403 280.452 275.318 908.986 609.71 1190.76 126.74 255.17 170.238 181.474 180.481 51.4495 213.067 290.524 526.343 389.111 417.14 127.562 70.7411 74.1961 53.7524 47.5781 23.6943 60.9207 1571.86 33.015 360.681 44.9036 517.309 152.17 68.8612 532.626 277.509 325.559 379.63 167.811 352.573 96.5839 120.604 130.458 1219.29 181.502 208.303 43.1923 246.776 102.851 283.986 53.6347 193.728 58.2698 240.987 299.193 607.806 91.54 31.0879 2471.27 449.777 408.417 52.2922 19.5419 149.135 21.9813 27.2876 27.9829 128.012 27.2019 6.92142 185.71 124.392 118.73 117.481 152.713 30.4493 128.251 29.7041 347.087 70.9097 143.776 79.635 122.621 160.14 79.652 86.7402 217.496 207.717 15.3029 86.6318 1999.6 52.6031 151.647 16.9505 124.121 36.0529 40.6563 52.2912 91.71 50.6524 63.2263 549.246 427.601 66.2852 13.5712 68.5883 58.6615 98.9179 28.4342 22.5099 562.713 1363.47 411.876 16.3537 44.6475 11.9197 513.315 1573.67 22.5668 25.3922 78.2524 272.945 909.633 324.847 252.649 79.3247 45.5711 3-methylxanthine 5.70761 594.513 482.68 41.0858 315.692 222.309 128.149 268.881 580.382 256.891 236.351 266.992 0 449.051 193.617 289.715 265.096 141.437 73.5732 106.094 313.751 17.6152 84.0162 35.7882 0 264.726 112.262 134.316 76.2841 403.865 7.85295 59.5215 0 421.6 196.231 262.057 667.629 0 193.592 683.505 212.132 31.6525 244.876 69.0187 354.137 37.0429 153.991 163.41 39.6399 299.476 31.6085 186.21 238.593 31.5439 26.2133 11.4662 0 115.69 0 55.6486 4.57385 838.685 559.385 231.686 44.8418 50.1889 0 7.47995 14.0125 539.419 849.898 64.5877 691.854 242.38 259.232 0 359.515 601.397 255.387 32.2958 7.79444 517.419 7.4492 54.3128 70.1461 0 173.773 107.616 168.229 146.398 273.245 267.139 42.8545 114.628 456.192 30.2673 883.583 305.695 0 132.067 154.366 173.646 8.35367 21.9722 0 377.249 13.5257 23.0621 910.467 69.9293 0 0 0 0 50.9682 294.015 0 233.887 0 51.849 0 0 136.312 6.62677 198.967 0 0 34.971 98.5853 159.945 831.234 415.361 65.7455 13.6554 42.6071 21.6183 18.7952 0 279.001 86.3223 604.145 0 128.947 0 329.474 0 222.308 0 485.8 631.913 0 42.0823 200.342 249.949 58.4251 0 146.248 770.185 0 159.345 0 5.68205 0 8.98808 0 0 34.9354 5.60579 845.354 227.511 0 10.0584 0 85.5792 252.083 0 3.2034 170.417 676.004 84.1978 7.78131 0 409.267 4.55997 364.817 715.488 299.965 11.438 953.895 0 1228.29 35.4683 0 72.3899 223.474 4.15322 705.672 62.3233 386.668 55.2091 512.371 1370.3 622.529 471.032 527.647 81.8225 0 208.285 676.081 542.556 35.6028 311.608 550.949 179.027 81.3221 113.597 680.627 191.208 862.395 481.707 4-guanidinobutanoic acid 12.848 7.94633 11.7399 46.1612 20.3021 0 23.8968 46.3821 189.427 663.783 229.934 29.8549 0 74.9796 210.724 33.9272 26.5694 217.232 187.79 52.0711 11.2462 135.529 73.8201 122.315 67.8255 249.411 24.054 20.1356 127.78 22.3084 20.8635 46.659 30.9185 187.411 43.5254 6.5951 735.866 82.6734 18.2622 33.5591 24.7986 17.8372 74.3815 119.665 22.8194 525.296 26.5368 724.58 27.5999 171.511 65.3295 56.7077 239.782 74.1466 10.5882 22.0376 27.6865 439.751 9.76003 6.44486 16.4453 175.314 49.2077 8.49882 294.595 64.4682 22.8874 16.7646 75.1013 15.1097 201.085 81.9918 125.574 118.157 442.102 64.234 480.004 223.549 207.75 246.043 38.3646 420.238 133.476 350.199 82.4323 20.5498 48.8572 83.7454 304.912 100.313 146.427 28.0538 70.3582 168.065 301.478 60.4775 228.743 126.951 44.2281 184.555 284.956 87.4132 10.1447 57.1003 12.7298 0 44.3555 0 34.9129 27.9393 0 0 0 23.0341 6.07069 12.7634 20.7143 7.82482 0 18.9686 15.2298 23.6184 104.564 70.0597 55.3335 19.0548 37.3913 24.7874 13.2098 23.9034 28.7122 17.2349 28.6191 52.7867 20.4919 19.8681 0 107.928 51.1241 65.5514 189.904 88.7215 55.3762 0 66.6988 12.2274 81.9279 14.8547 22.6074 82.3129 0 66.2444 95.7604 39.1938 867.009 45.2966 222.459 30.5466 47.4491 34.5524 43.2021 61.8778 80.9902 461.158 65.0769 505.087 102.451 57.982 34.7498 303.397 57.3986 385.439 82.6887 139.676 78.7573 83.1983 30.8859 77.5474 7.42791 220.265 21.1543 67.689 241.281 28.8157 37.0559 123.325 18.5183 51.0247 22.1797 25.8298 70.0488 124.046 90.6892 39.8402 87.2338 323.556 130.486 348.746 22.0475 108.068 133.454 48.2977 724.44 13.6316 12.5892 74.3969 233.247 36.9237 16.853 31.0205 20.4621 236.252 18.3111 27.2234 27.484 61.5459 61.4335 155.554 23.3596 142.061 4-hydroxy-3-methylacetophenone 142.129 91.9306 142.669 164.544 35.4285 28.9933 64.6253 87.4351 43.3796 10.0346 31.8355 83.4285 160.358 138.3 52.3007 249.869 114.912 143.315 0 35.0767 91.3003 2.70173 147.961 92.5354 128.221 108.555 162.189 185.585 207.61 123.399 195.435 28.5853 111.382 99.839 228.194 92.1451 365.66 47.8221 324.974 228.752 150.554 139.634 10.1555 21.5624 20.8373 28.0311 142.735 11.3995 29.4307 9.4646 32.0072 190.918 24.2905 9.70046 27.5855 128.923 0 14.1282 247.197 156.299 0 109.285 41.9167 48.0456 63.7361 69.6523 59.7389 52.6183 4.66352 150.56 40.5607 137.329 87.975 45.0116 36.0876 0 27.0016 66.5796 46.0053 13.3397 82.819 148.734 115.233 214.059 18.2694 0 0 50.4044 35.2745 0 49.7036 117.868 116.765 26.3459 34.1835 41.0561 127.016 180.217 78.9091 34.411 63.1119 0 77.1084 85.0445 76.7505 73.329 81.0144 22.2004 23.2103 65.0392 208.256 130.756 256.806 40.6959 237.418 65.7828 141.175 134.819 169.519 96.1216 262.349 249.417 559.259 27.1262 61.5699 95.4712 97.1728 7.78375 0 44.9098 68.224 161.146 14.562 84.3068 20.4929 74.767 119.574 19.1605 141.508 35.7949 250.04 163.765 136.365 263.782 35.335 120.318 20.4029 345.901 186.45 53.637 72.2251 25.5496 26.4875 27.998 18.3351 60.9422 39.0482 22.6359 92.5292 106.214 144.635 82.3596 113.822 57.3247 94.8303 71.5379 116.667 160.977 109.525 50.9671 54.7372 70.8486 60.825 25.2 152.186 59.6558 39.5243 36.3516 162.684 9.8803 51.6041 73.1775 54.372 30.4603 28.7073 50.7975 54.1216 28.7359 71.38 75.0696 36.6516 41.2668 37.5008 0 68.9259 37.0956 32.2189 33.8393 89.5609 24.9223 71.7605 102.968 113.339 61.2403 77.3488 28.5103 53.5511 58.916 46.8082 153.429 108.559 18.4441 100.598 10.0767 4.49325 60.9702 64.8076 12.761 27.101 51.5786 5-acetylamino-6-amino-3-methyluracil 431.897 93.1153 128.008 49.7 9.91597 197.689 31.7262 55.8851 398.164 55.9868 75.9964 130.648 17.6778 72.7122 20.744 42.5448 143.094 39.2638 17.0911 0 121.96 0 63.4076 43.0405 39.6393 55.5934 84.1128 63.5829 469.725 634.706 353.69 0 329.992 489.157 490.135 93.8634 74.9586 4.64773 10.2459 291.7 201.425 201.443 19.2386 0 65.5556 75.1584 9.09774 166.711 0 74.9955 0 840.244 20.736 0 0 147.151 14.8255 7.09597 707.7 9.03773 0 351.35 151.227 26.2645 15.1006 184.77 12.9346 266.274 0 131.739 110.529 38.5665 82.5784 18.7484 323.905 0 67.1246 160.169 53.8633 18.2976 796.817 85.1741 429.374 0 17.4852 127.098 50.0877 8.5692 43.4075 144.816 47.9587 459.839 224.648 0 416.045 10.3999 182.554 189.989 0 214.993 0 0 145.792 0 72.6417 209.733 0 0 326.804 14.7463 364.419 0 139.98 601.73 23.336 70.604 314.248 508.578 46.092 0 62.9612 461.391 30.783 40.6626 10.4015 105.602 26.2523 0 64.9616 18.0411 238.308 117.963 0 0 0 0 0 0 25.2163 42.8364 68.3424 153.459 0 47.4222 53.7858 8.76934 57.997 87.316 31.5924 165.561 0 0 169.243 70.0507 0 569.389 3.4603 461.955 588.176 88.7072 142.19 610.999 636.992 14.8497 1034.99 207.746 120.762 246.557 705.866 201.953 563.681 604.672 657.848 56.5265 613.953 566.585 419.659 0 1017.13 44.463 83.9596 1528.76 207.822 163.857 66.3668 692.763 200.986 4.97394 759.549 0 499.311 36.0375 321.114 14.3116 449.434 14.6702 158.526 98.8625 731.009 68.8383 370.054 578.973 289.322 253.642 675.629 10.0768 435.497 75.7249 777.092 1744.49 221.745 93.7771 248.85 109.035 72.4035 4.31115 701.864 13.4589 1063.76 998.88 5alpha-Cholestanol 41.9683 24.1424 230.782 515.423 0 0 0 246.045 0 0 0 21.6998 180.709 21.6181 0 393.938 125.301 0 0 71.0517 90.5187 0 0 105.554 200.715 106.552 13.3809 131.091 25.6572 74.602 116.641 0 180.734 0 95.2448 140.717 52.9809 21.225 374.171 106.859 10.6043 88.5456 0 0 33.6875 0 237.847 0 0 0 0 266.805 0 0 0 84.6974 0 8.33743 112.786 303.045 0 0 15.1416 55.7637 0 177.159 83.8463 139.736 0 149.986 0 0 140.312 0 0 135.22 0 4.54806 0 0 287.273 38.0431 72.0459 206.715 32.8706 0 0 0 0 4.46508 15.6706 135.235 104.272 0 11.4297 0 48.2935 257.396 16.6141 0 0 0 102.39 0 174.134 149.003 0 0 0 0 239.426 0 147.997 129.035 76.8088 0 165.838 0 151.527 122.958 537.728 248.818 0 0 0 207.6 21.2791 0 0 0 0 0 0 0 0 0 7.77866 0 0 0 0 465.425 0 262.915 101.767 162.964 0 483.977 0 0 103.856 69.6693 142.88 112.797 0 86.8472 195.211 139.799 241.23 137.628 265.823 192.364 511.321 149.753 149.211 299.819 44.4966 298.573 137.175 111.349 188.093 237.264 110.382 0 162.593 39.4358 90.8039 0 159.98 0 90.2875 237.561 0 285.328 0 2.20286 168.314 0 0 170.852 0 178.097 132.634 0 260.28 81.8258 0 40.3957 342.574 1.94612 1.36069 4.80249 147.255 182.835 53.5329 52.1432 30.3841 69.1892 133.272 145.485 246.725 6.44748 300.858 18.3097 0 341.32 14.9977 36.8295 0 0 7-methylguanine 18.1549 975.084 1339.96 1026.95 2814.09 1097.78 1412.11 2922.87 2110.13 2080.03 1128.91 2400.26 8.70935 1691.62 1592.36 1333.2 2855.4 2093.69 1525.93 2023.98 1879.99 706.266 522.476 506.236 1070.59 4310.73 4972.48 5119.53 4347.78 1132.73 545.265 1094.78 474.339 4058.19 4052.8 1452.24 3836.59 1437.82 2917.33 1772.6 3802.67 775.427 834.074 1515.15 1132.38 486.123 1268.87 1892.39 489.814 1676.25 742.884 95.8094 1157.94 1668.09 694.223 48.0106 569.487 1805.05 9.74168 3290.42 441.588 3666.68 1893.43 1202.97 2288.81 498.669 91.2696 438.503 1761.45 890.79 1394.71 2295.61 2057.46 2327.53 2547.32 69.6265 1692.3 497.267 2002.12 488.663 413.558 2176.51 1153.01 3302.65 988.276 1570.45 361.874 794.722 846.9 1501.79 2132.39 2717.85 520.781 1488.78 2024.29 586.812 1836.57 391.604 2422.92 1694.04 1732.67 2429.15 21.6303 1131.77 22.445 2325.45 1188.38 2263.64 1119.82 1264.79 0 28.1153 75.0887 12.8018 3177.47 4558.39 14.4592 1939.22 31.0613 3535.14 15.2414 18.4242 2672.94 420.359 1923.57 11.4786 2511.08 726.35 727.685 1403.23 2421.61 1437.33 1569.44 371.01 1606.03 968.747 1310.9 1180.15 2541.69 1564.08 2365.67 105.794 766.128 13.1874 2065.24 8.46775 1280.81 20.4331 1779.88 2477.71 0 636.38 2148.4 1042.32 1533.91 889.185 94.5015 3047.81 265.771 1601.84 904.623 487.639 311.704 782.238 1136.34 120.585 743.043 440.53 3820.16 703.458 76.2182 895.546 483.412 1561.33 754.031 805.803 693.507 1560.19 1056.91 1863.01 205.938 49.7773 2941.92 510.701 2451.86 1347.32 2506 1467.79 2032.46 25.9144 1711.47 759.611 166.3 891.033 3479.04 62.0526 2212.44 3830.75 597.231 1395.12 1209.97 2902.08 3496.91 2058.33 1406.67 2187.71 351.791 2472.15 4528.02 3644.8 48.0615 2882.04 2051.84 1793.32 354.74 1767.54 692.566 1623.78 3256.92 2214.57 8-hydroxy-deoxyguanosine 9.62358 220.524 42.5412 100.872 88.6512 0 0 28.6084 63.7001 501.297 25.9757 13.5278 59.5484 728.852 81.1845 41.4088 10.5736 38.8431 9.71634 293.9 103.38 2.54301 155.212 229.133 806.901 334.176 77.5147 1045.41 91.4917 17.9348 60.7599 80.5103 36.0752 32.5961 684.949 65.1416 93.2509 494.479 13.2307 79.462 1058.44 68.169 8.97586 27.5702 38.6877 0 46.0081 0 502.862 13.2274 224.465 129.365 24.2294 33.6286 107.608 946.802 440.386 388.548 8.35983 232.318 0 22.716 60.1272 146.27 452.389 45.6255 4.75548 36.7494 0 43.3102 51.6329 485.846 74.2702 722.364 56.5197 116.451 220.145 7.76297 75.7493 37.5417 28.9408 34.005 94.1006 64.3841 712.79 25.038 84.2717 15.8996 353.789 614.453 9.7901 11.5982 906.621 59.7153 73.5849 607.797 1890.78 237.85 39.9093 347.576 5.48723 24.6111 263.04 334.427 10.3337 15.3538 174.375 0 29.3569 266.584 96.4913 0 2289.86 56.4299 253.967 124.226 76.2701 969.441 207.96 87.5079 485.046 15.2078 482.582 111.529 32.9399 50.0882 528.43 188.328 0 67.8429 195.503 82.4179 930.431 151.663 71.028 131.694 751.602 0 160.993 812.681 12.4533 95.1627 14.9211 0 25.2037 113.28 165.818 70.8343 90.8579 215.629 20.401 17.4812 133.094 327.862 482.915 87.8044 124.824 84.1824 174.486 91.8985 72.5133 47.5311 164.935 125.542 153.943 2283.8 609.475 96.5086 78.8449 938.353 132.828 399.245 47.2903 1083.45 192.937 1073.62 70.0919 51.2117 1569.01 316.306 32.3613 882.126 3020.24 477.428 387.536 1273.99 12.9698 1512.99 67.3555 31.8173 47.1733 171.158 1475.59 345.103 114.738 41.77 80.9703 577.904 24.4229 942.409 36.8733 297.095 147.158 41.4823 55.5934 888.232 6019.51 37.9273 104.725 33.2643 1588.56 554.807 2732.42 43.176 2.75853 31.147 27.5153 110.367 330.52 2638.9 acetylcholine 1478.75 512.132 1636.81 1313.56 29447.4 1893.5 89.1813 582.085 645.423 386.402 804.051 1349.93 735.809 1044.44 574.164 11005.2 2890.98 740.536 971.556 79.5558 2242.38 31.0375 1748.78 2359.2 26408.4 16473.2 2686.22 1166.48 1366.82 3568.25 5620.78 77.8995 7203.81 998.744 13685.2 1394.94 1880.99 303.008 25536.9 422.412 662.424 1131.66 496.977 4195.8 1915.38 2449.46 2531.87 73.7648 116.335 0 164.353 8046.3 1399.16 961.18 0 10096 7.58964 198.77 589.942 530.486 72.2223 1644.28 2126.55 152.247 1511.25 31879.9 229.943 2968 18.2112 3285.25 168.293 828.671 3616.52 481.658 1025.61 997.892 1595.31 1856.33 2428.66 8.33014 302.833 2674.56 241.986 1394.83 699.887 91.7078 422.982 3148.45 671.649 26.9738 1402.33 7832.55 1159.18 429.559 1095.14 73.1411 4078.04 8603.51 108.048 16943.7 1058.06 22.7705 1612.75 215.699 14671.9 1430.49 32.1083 26.0019 24.8835 317.792 2428.46 159.111 1726.17 53.7534 3117.96 487.554 4310.57 653.529 15.3314 2258.92 683.272 2598.3 456.312 317.065 154.294 708.993 25668.6 23.6194 34.7037 1406.58 73.6805 680.159 23.0327 157.432 58.8864 155.903 2403.18 402.799 993.841 432.241 94.8698 14632.4 39.0934 9635.83 11.3185 42.8542 25.5778 1306.45 618.195 621.662 18.1375 1454.21 377.328 173.391 3470.11 289.222 735.671 5692.56 4287.57 2187.26 6902.19 20.2598 82707.6 2961.41 3670.08 495.354 4333.48 3822.54 1682.48 471.936 129.091 3656.37 0 1388.49 479.557 213.565 2401.74 75.9112 391.142 9.34171 1713.39 284.25 254.557 21370 1072 30.2859 574.406 52.6598 290.958 1003.93 2078.55 1073.33 1809.7 15.517 630.181 957.645 126.901 2030.21 533.082 572.271 328.537 125.131 2062.35 1308.99 694.312 26.3178 1055.54 1632.93 3411.15 3363.9 3280.97 2598.62 682.422 149.249 73.3541 659.672 214.132 48.7053 3071.8 921.716 ADMA 57.9815 24.2795 214.326 254.629 622.014 2777.64 295.103 196.258 307.907 1072.23 824.669 211.31 65.2997 64.754 484.476 183.35 402.397 660.968 744.077 600.697 30.7485 1321.84 599.154 661.417 293.396 634.44 267.009 86.7608 814.988 121.335 103.244 1178.5 87.4546 347.37 227.531 186.601 236.747 576.241 84.8388 418.704 266.23 492.103 1452.62 521.851 4338.75 237.359 382.306 2356.2 3062.32 4137.28 1487.19 189.266 3609.32 1671.91 2451.4 110.902 840.363 488.609 32.027 80.7266 1622.15 1602.7 316.24 288.106 386.021 135.792 54.5456 209.904 4105.97 105.131 317.253 455.861 532.117 464.513 456.918 6699.31 2139.98 640.618 1058.21 4796.88 30.7441 1080.14 96.6149 89.43 5131.11 968.049 894.086 1704.52 190.632 3079.17 668.557 273.524 359.805 259.837 593.453 3738.55 773.128 370.028 2722 757.985 368.342 260.694 66.5514 70.816 46.6699 43.9094 233.318 441.676 994.946 723.273 105.495 839.286 121.225 61.4681 198.801 62.0278 83.136 73.8002 19.7737 112.749 117.131 177.215 154.804 43.5989 252.334 56.818 44.757 1267.8 1222.74 1881.77 2041.29 1985.29 2233.09 472.475 304.141 63.9421 23.5551 1824.05 237.097 2623.72 2018.27 64.672 849.676 27.2142 2249.9 22.5026 1045.4 30.5671 995.498 193.079 24.4141 1787.46 330.569 378.538 240.416 69.2087 414.803 152.117 148.423 245.1 264.604 133.387 49.1779 386.343 231.046 232.251 517.972 300.458 222.039 530.422 88.154 285.377 113.416 236.644 425.304 339.469 283.147 226.345 306.406 464.631 402.824 112.77 805.962 152.49 116.974 398.751 312.887 544.928 64.5237 93.2109 951.073 200.117 483.785 1914.83 165.408 204.339 1319.35 462.54 215.666 592.645 741.883 242.808 446.864 171.36 253.524 454.061 400.586 349.748 85.6322 598.142 162.026 229.046 222.373 83.6988 1510.93 172.661 264.214 1868.66 325.269 232.778 ADMA/SDMA 17.5049 13.3169 108.207 928.125 2464.11 1295.21 161.65 950.378 873.779 255.016 1183.1 135.986 31.8602 43.5552 383.58 50.4014 953.119 1042.88 1150.63 556.969 28.1178 430.338 1059.78 977.173 327.687 2018.96 392.631 212.659 664.02 71.8348 99.8942 392.861 56.1818 177.072 138.561 215.02 142.265 820.576 82.4607 225.242 306.784 473.733 641.984 1154.06 1189.44 732.378 169.492 1020.42 731.052 1238.98 538.423 167.474 954.04 1039.53 732.284 49.0859 301 859.912 22.4127 39.6425 395.503 1601.32 208.143 101.053 1075.32 108.714 27.2642 111.415 1305.19 139.366 905.097 1372.13 1635.35 464.58 1018.54 1231.36 907.55 1492.42 2021.85 1448.91 10.2298 342.325 80.3867 22.8304 1136.29 626.474 566.878 828.806 347.915 2649.78 1130.52 107.043 209.942 62.5086 1129.05 894.933 1346.58 753.9 821.52 2003.85 865.641 451.911 27.0564 257.595 39.0994 25.0459 362.387 220.314 245.068 478.572 47.9026 447.795 87.991 35.6214 954.767 187.911 48.5577 52.6435 13.5179 48.5212 441.281 59.7436 507.545 193.194 290.808 24.8922 16.1582 880.72 293.98 973.642 683.13 1197.36 1397.18 214.975 182.064 179.667 41.146 568.592 466.634 1172.52 1568.88 41.1991 401.414 16.4441 1040.27 14.2899 911.719 26.2369 945.647 717.954 14.3831 845.574 311.785 453.352 167.665 25.6646 1952.89 150.09 171.587 160.203 163.214 107.287 57.1318 342.04 284.34 113.264 680.771 363.176 129.911 3008.56 43.3589 325.289 82.1727 263.504 1010.86 87.2746 654.088 589.342 380.491 731.871 248.285 61.5713 929.433 134.388 44.9969 1021.71 1520.84 717.832 18.2489 43.5169 1299.86 402.184 1714.38 563.426 152.983 201.19 967.84 1517.1 277.274 964.981 740.089 138.572 161.808 238.428 200.543 1416.28 152.436 225.788 54.1431 528.053 93.8009 704.699 223.389 43.965 241.03 124.613 154.271 1293.29 303.066 162.792 alanine 2869.15 328.574 2995.69 346.473 1646.81 1235.53 416.896 899.552 1792.71 1297.85 1834.34 2823.18 310 545.988 1720.59 2586.55 2190.72 2349.11 2777.5 2694.4 3604.28 4461.61 3049.92 3193.39 4455.64 2223.1 3239.43 3156.08 2095.88 1521.69 3162.05 4368.42 3671.66 3284.63 2236.94 2980.45 1850.54 2204.66 2726.57 3623.63 2722.75 2561.38 3523.32 1269.35 595.59 1269.93 2122.2 946.77 3147.98 599.961 5221.22 953.803 4631.94 3094.5 4048.39 1311.8 2948.28 3639.54 383.063 1087.26 3955.43 4049.08 3466.17 2654.23 2511.17 6874.69 1568.96 2015.22 5466.67 4170.7 1210.03 877.244 1318.52 3306.08 2046.16 5303.93 1841.07 2298.05 1962.8 5669.1 2037.64 4835.13 4757.07 2780.33 6288.49 2015.84 1410.71 987.899 1521.52 2965.48 1726.35 2013.16 3287.57 2653.8 1555.77 7620.67 3299.53 2333.64 2320.61 833.259 887.717 1937.17 345.067 362.492 620.204 351.609 726.882 1215.84 810.578 680.009 144.612 6217.16 388.945 328.257 1840.98 522.458 517.026 1812.63 1382.07 768.89 198.961 519.927 336.058 156.199 339.298 1024.31 1901.17 3021.28 1637.14 2503.66 1916.99 1346.26 3863.51 2667.9 815.287 1711.42 487.294 3433.44 422.421 4667.8 3350.41 2711.2 246.612 1227.46 2268.13 537.743 1146.29 1100.19 1176.9 238.634 64.0294 1125.8 1425.61 1620.53 1309.98 3882.81 4804.27 2421.3 3941.15 3210.43 4157.03 4087.26 2503.69 4502.8 5064.56 4843.05 2919.28 3185.75 2190.26 3879.46 2015.85 4185.05 2748.2 3593.82 4013.12 3739.58 2028.06 2149.43 1284.38 2606.49 2536.02 2194.07 4432.07 2405.97 3620.42 2651.7 1803.14 1880.46 1760.62 4005.59 2278.24 3953.57 1670.12 1963.29 1894.23 1248.24 3220.94 4235.84 3084.3 1500.54 1704.54 2026.03 4088.38 758.026 3452.76 2133.68 6156.11 3061.61 2281.96 2639.53 1727.71 1550.58 2379.12 2180.73 4195.39 1553.24 3521.13 2866.81 3061.79 1669.27 anserine 5.47245 82.8438 13.1862 32.2108 14.4243 144.778 22.8318 10.3103 34.1582 0 176.404 38.0488 64.3708 80.623 4.80805 8.63724 16.2649 214.588 39.5819 2771.14 3.45548 2027.06 21.1659 72.4015 17.3733 30.2171 0 22.8598 66.2564 14.5163 17.2826 85.4702 8.97551 547.876 69.4669 67.3316 4.74239 17.0642 27.3429 0 48.2459 15.4749 14.489 20.5072 70.9354 6.80961 5.55206 32.1712 6.70575 28.2127 144.487 130.578 29.7572 26.9502 0 45.3623 6.06135 81.9666 172.028 14.4561 46.4077 126.703 51.1071 4.79549 27.5263 19.8517 28.6688 20.6243 46.9165 11.4953 276.549 92.1554 4.52721 186.365 15.6634 5.88561 39.3377 6.49133 0 19.5109 7.96904 6.90665 12.8686 149.481 19.8748 7.44841 47.1228 14.624 107.173 6.08117 13.2824 21.2403 24.5814 15.6639 6.91516 23.5951 11.8701 18.124 51.2297 14.088 206.502 1146.96 74.8991 36.0329 41.1977 153.57 54.3551 14.5287 47.3746 44.1805 157.017 249.471 61.5626 16.034 21.3393 0 28.7617 37.3472 39.9751 28.1872 87.6933 9.94387 20.1621 4.58494 95.7728 55.7279 15.8933 112.782 52.2028 488.336 113.713 41.9007 424.513 5.44071 44.3679 87.9943 152.405 26.2658 44.9857 13.5751 35.584 42.6666 15.3002 29.2522 20.8962 18.0518 14.1226 20.8272 181.331 38.51 12.11 1484.36 27.5803 109.575 21.0505 10.309 16.5747 4.70998 4.16359 4.61604 21.873 0 0 23.5002 28.3809 0 33.7787 58.6151 5.02676 7.6195 7.66357 20.7948 43.3641 46.9378 22.2094 19.9919 16.4918 30.8268 0 13.1089 0 6.69358 36.0286 107.1 0 52.4503 0 16.3678 5.65125 0 0 6.02466 3.76011 24.1889 22.129 0 20.92 0 0 34.1256 68.4688 0 0 14.3855 21.6434 37.982 0 12.3088 0 6.25855 19.0292 3.0661 0 0 1068.59 27.959 25.0626 128.707 6.27088 17.507 arginine 230.258 1185.44 404.612 952.293 395.688 307.9 1114.4 135.021 3169.02 849.462 923.657 938.847 4366.66 2840 1525.61 953.052 71.6026 8106.66 3190.99 700.27 89.3657 60.0454 6460.33 2210.12 12454.8 6318.06 1537.37 1486.81 7721.03 360.377 854.341 8209.86 2438.41 672.731 3527.02 1078.54 4024.01 3848.59 342.993 1119.55 2046.76 1305.5 4552.17 333.758 115.387 605.662 570.663 3738 3135.84 17.8901 9708.3 1425.32 11741.9 2764.86 2902.74 2763.25 26679.5 300.56 415.442 739.274 3545.05 3957.71 188.777 222.246 511.66 1744.96 318.682 623.766 9158.74 534.315 190.798 2835.21 27.894 9868.59 119.266 6126.25 291.059 84.9213 874.847 25965.4 630.573 9824.18 3443.27 112.205 16602.8 4409.71 11957.9 1115.11 2215.34 22068.2 1019.78 33.7766 5481.93 461.145 242.305 5952.02 441.543 301.352 1973.48 11889.1 438.607 2387.4 817.951 2934.06 413.989 353.109 3127.71 1512.55 3798.39 418.866 874.312 489.02 1407.27 763.908 2454.69 2667.91 356.582 1560.74 783.479 1682.49 1271.46 1155.5 2302.81 133.519 2119.38 2082.13 3092.69 8316.47 1813.88 15554.3 4232.32 10490.5 56.0478 279.536 500.593 2280.72 254.248 21520.8 2389.04 18843.1 3898.23 5104 1680.51 962.572 9665.07 223.107 16139.2 2218.96 1820.41 1389.39 841.339 2012.71 18511.8 1429.44 16087.1 2655.67 3830.24 5314.15 3981.26 1004.68 2890.59 2084.64 1092.93 3864.88 1248.96 11112.7 1774.48 256.311 2212.41 9826.5 2457.66 5067.95 2289.05 2088.67 3218.6 5196.95 743.843 179.814 2184.48 1549.32 407.842 1541.36 4830.27 1005.83 10745 16850.9 1294.75 558.776 2576.22 1477.82 1032.57 1379.83 3424.14 10459.1 407.878 1039.67 3291.54 8622.45 1590.64 4923.28 2286.87 992.4 838.497 377.533 839.043 980.404 23269.1 1231.43 317.517 389.134 2216.46 1879.04 988.319 590.129 79.716 2107.68 4914.64 5553.03 5188.17 3313.91 asparagine 602.649 5.49749 6.97489 0 13.9079 157.54 0 0 281.077 17.0753 112.206 23.2802 0 24.2126 119.025 11.7183 0 82.8675 56.0937 275.881 441.467 6.1014 106.729 132.714 15.3422 48.0464 328.08 155.741 23.8954 0 5.95066 2492.3 42.4564 51.1725 0 275.973 5.3625 489.78 0 11.2689 0 32.5906 9.77553 12.0102 11.7429 0 0 0 0 0 395.767 30.9394 435.646 273.343 62.4261 445.46 2008.76 604.114 0 101.471 4756.76 188.517 9.46663 173.547 1703.08 18.1783 13.8667 4.28274 4621.15 7.35077 62.7369 55.6523 35.8909 1191.02 5.9043 974.64 17.4171 0 859.949 181.676 0 137.414 13.5299 59.3015 160.774 425.728 9.00253 72.2325 23.9909 1292.12 183.241 0 1347.54 6.40828 4.28873 4405.06 974.666 254.251 2559.06 5.92708 38.5423 42.5163 0 0 75.6137 9.81386 0 31.2803 0 54.4956 0 0 0 0 18.0409 0 0 66.2077 91.516 0 0 0 40.5074 0 9.89565 328.492 299.775 186.78 0 418.534 0 8.9811 216.836 27.3745 0 726.686 6.77665 2620.75 0 3341.16 31.417 278.565 0 29.4637 14.8069 0 23.4584 346.13 33.779 15.5147 0 100.219 69.7235 69.4812 26.2571 42.3772 71.1153 140.645 7.67515 0 27.5538 0 13.4349 21.402 7.60024 1229.63 344.077 0 6.51853 929.263 10.6337 31.8985 15.9064 37.8654 17.03 15.3538 3.96444 126.757 137.757 29.9849 8.52402 14.3203 1918.32 17.0282 681.64 29.8104 0 418.267 86.3102 151.468 329.467 574.015 241.068 1151.68 68.4549 21.2874 56.231 278.297 7.01241 207.686 62.6681 20.9045 230.48 0 76.0221 516.278 2885.86 88.901 5.25062 5.14311 53.2589 207.678 200.753 4.48703 70.0624 7.10172 642.556 16.6495 127.113 250.677 atenolol 0 0 0 1035.21 0 13.3374 0 73627.3 100.361 44.7147 26.0326 0 0 0 631.811 0 0 1470.59 28.8916 46.624 0 488.51 23.1308 19205.4 10.2401 88.2341 0 9.96307 0 0 0 126.865 0 494.224 0 10.061 0 538.941 6.58177 0 11.887 0 0 15.8926 43360.1 0 61.3842 0 0 0 1329.24 0 8.65408 1952.36 13.2716 0 0 807.525 0 8.19787 0 0 11.2719 0 2377.41 8.19435 0 4.24944 20.531 0 20488.2 630.651 5.45059 148.783 319.593 0 28.8771 5.73699 57158.9 30.2101 0 0 6.00179 0 11.718 8.27806 117.568 17.0249 5.84186 0 108.335 4.0424 106.87 0 12.1251 69.2808 316.549 155.522 6.62027 203.783 45.3452 77.8191 0 61.0093 7.49729 10.1149 200.197 0 15.4866 5526.5 0 0 0 0 0 0 0 0 0 0 0 15.549 0 0 275.451 0 34.3623 761.957 0 0 0 0 0 0 0 461.843 0 15.894 362.609 12.257 371.45 0 445.057 16.771 7.87871 0 179.841 0 0 758.44 0 15.2214 0 174.197 0 0 0 0 0 20.915 0 0 0 0 19.3141 0 1062.7 10.5963 0 47914.7 14.6445 0 0 37.3789 16.6072 6.08726 75223.6 931.214 5.57314 275.174 8.4772 0 231.671 0 0 3.79068 0 827.338 0 0 1923.46 951.33 0 0 31.1306 0 810.016 35.8355 0 594.887 251.932 43.4848 9.58815 0 0 27.8385 0 4.30288 4.50279 0 0 121.441 3.84264 0 0 0 0 773.149 0 38.5782 beta-alanine 52.3486 0 46.2317 17.3103 76.673 41.8666 0 70.9954 326.429 1660.27 232.986 50.9207 0 23.059 293.527 54.0302 73.6073 653.261 579.216 597.381 67.1765 593.036 67.3784 208.647 127.283 48.3105 53.011 59.5425 67.5645 71.6968 70.8181 340.791 64.5836 136.36 41.647 60.9334 38.762 53.0167 40.7761 70.9548 168.014 45.1136 537.02 1379.13 2425.28 433.35 43.3947 0 0 2239.28 537.935 28.9986 658.724 457.106 51.3282 33.7684 26.046 649.478 28.5274 20.9113 48.3041 129.61 774.471 57.6577 212.945 134.242 23.6129 41.2961 0 76.5968 1121.87 161.348 27.4577 193.738 533.732 1121.54 307.382 66.2816 109.144 203.705 30.4966 77.2419 93.9573 38.433 1137.62 9.61782 441.547 0 668.158 70.785 110.582 27.4813 61.5037 17.4799 28.3571 517.319 66.8446 43.3679 15.1652 10.4585 889.55 160.846 15.1176 0 0 8.72952 0 0 152.561 190.158 23.9783 63.5294 12.9343 14.851 59.531 48.8177 16.9679 29.4892 12.2894 31.4463 34.6026 27.1371 40.2049 0 103.736 6.17035 17.5169 347.583 0 444.589 0 21.9583 14.2501 36.3096 0 194.332 0 25.3092 0.0692786 161.52 478.968 46.0114 15.6158 6.73932 462.639 5.65318 105.108 17.6875 78.9138 176.272 0 111.808 41.5074 161.716 13.6261 64.3719 1077.3 17.5679 59.1223 115.131 76.8747 65.0699 34.2758 95.0525 97.8264 112.598 89.2219 102.936 42.02 62.6317 33.403 65.7245 44.5451 1059.45 58.2713 81.4134 41.921 356.443 28.9616 460.825 28.8794 22.2432 694.03 84.1816 53.4342 0.13828 24.6031 667.526 24.4243 49.8935 55.8589 90.8177 24.782 14.4537 24.572 15.3659 322.377 78.8368 40.5617 125.21 646.159 184.675 86.0378 14.2314 66.6286 63.9743 117.62 71.5629 28.2454 34.7163 10.8678 84.5568 24.1494 98.8577 63.2968 29.9596 48.4954 522.89 72.1431 93.1131 betaine 30.9868 63.0215 1174.6 144.991 0 49.6849 9190.69 2622.26 308.799 36.1896 113.456 142.462 543.567 132.431 663.447 48.0514 0 74.8592 1147.01 2086.57 0 15521.7 297.895 854.344 1808.63 451.432 299.828 0 691.053 52.5926 246.653 3663.47 552.827 2206.14 224.399 173.588 1879.65 612.941 160.992 1398.22 139.409 521.57 40.3799 94.0943 200.077 108.573 484.83 16454.7 8452.76 654.536 5421.55 1479.86 2394.02 260.613 4664.95 167.769 5898.69 1608.29 0 345.11 10721.1 4875.42 235.653 83.7733 923.166 228.554 4289.56 1504.16 14560.3 105.675 206.837 204.162 0 71130.3 251.054 18273.6 238.237 192.735 216.953 10992.6 147.366 793.783 0 234.657 4589.93 10676.3 91.5035 269.566 229.403 6930.81 298.759 1771.25 272.596 143.776 83.8828 3570.8 119.107 128.053 12076.9 235.447 70.5197 438.417 117.185 802.735 165.263 422.434 1935.8 8232.12 285.061 775.097 576.894 3733.25 893.816 346.566 137.247 217.466 332.438 1267.26 271.281 335.944 233.169 593.366 269.279 45.7601 1137.31 403.638 218.604 2427.2 4675.65 78.1306 4167.05 336.027 3554.54 319.049 1602.64 836.465 184.065 27387.4 388.771 11767.5 902.061 9299.11 582.703 368.656 13356.7 635.329 1954.46 235.923 392.545 350.85 247.19 208.206 106.04 939.198 212.82 450.508 0 145.593 302.545 524.875 496.572 269.741 285.887 208.694 1568.1 220.468 571.734 1301.15 169.494 122.837 84.2933 260.961 0 89.1532 434.76 968.552 162.368 478.509 273.157 164.388 2317.31 258.203 72.1531 317.071 131.102 516.536 133.882 569.869 35.589 530.683 1833.41 999.571 227.274 12843.5 46.6802 348.743 2422.6 0 469.27 116.233 127.687 208.394 543.373 251.475 147.433 412.284 203.118 1158.22 67.7003 363.684 345.991 54.4296 346.447 316.176 1178.2 76.5085 700.391 1216.44 50.8117 545.222 bilirubin 354.803 1055.21 248.617 6957.91 49.6406 2457.8 839.922 102.941 859.125 3792.64 1041.03 618.699 3010.72 788.494 539.332 343.461 326.634 707.444 18.3714 5036.26 117.292 30.1545 788.187 2076.21 230.225 38.1526 1130.6 587.64 1209.85 2814.09 1106.37 2899.98 103.718 1684.14 248.206 277.432 97.0144 844.845 83.174 667.866 1178.68 261.7 1865.6 194.076 1002.96 852.858 691.635 1120.15 4676.28 70.6744 1559.53 1806.83 2352.43 558.291 253.251 5037.87 584.152 4465.53 1760.43 815.599 2313.32 1275.74 847.851 250.02 1537.4 793.58 93.4122 134.169 1927.52 2185.14 3706.85 1291.68 1478.58 150.881 0 15.9328 6005.8 791.7 1246.63 1810.59 76.226 888.437 393.719 1736.08 210.811 2520.1 995.872 2295.5 5573.72 73.0085 454.269 304.708 531.198 1149.65 2460.01 313.332 1603.14 528.173 4890.38 5886.87 397.732 459.466 1272.37 6841.34 172.945 6824.31 3671.92 12311.8 10488.3 3786.6 654.802 13797.3 253.501 941.581 1184.98 174.224 174.049 19096 7883.24 2232.78 306.287 442.782 1993.87 130.126 1657.79 3097.18 1102.4 153.786 2059.92 540.374 64.3515 900.902 8381.23 7309.73 8573.05 5646.17 1613.03 2037.84 5958.33 1435.17 3946.15 2245.3 984.77 2985.39 353.393 1286.73 767.356 565.9 423.506 2281.67 304.036 5733.14 178.743 1069.98 918.677 402.272 57.0202 160.09 632.915 568.598 650.655 140.253 99.4436 104.172 244.99 540.553 1242.91 358.664 410.063 234.18 509.728 1532.62 122.314 507.213 822.823 291.986 42.8879 2398.92 561.185 1036.7 168.345 120.929 216.745 315.135 654.102 2264.3 323.313 210.143 837.33 660.821 1560.63 915.373 990.926 1027.47 955.334 476.08 6642.82 28.4952 531.388 645.831 1404.59 3287.83 675.814 146.62 1066.1 408.754 201.76 772.337 634.911 326.098 662.264 3111.17 1723.54 23.7378 74.7007 1705.3 23.4485 777.465 251.939 1899.48 butyrobetaine 106057 45430.3 8982.42 14178.6 31180.4 264.241 987.222 100325 131517 15774 26015.5 20637.6 17575.8 56475.8 27838.4 14134.1 2123.87 67751.7 27540.9 52255.5 137180 27062.6 6903.05 52892.2 24382.5 64008.7 14642.3 2957.19 20512.6 35541.4 23454.1 65353.9 5716.17 24857.9 9199.05 141645 43951 52065.7 5626.07 84684.2 70562.4 40574.4 10299.5 53944.4 46068.6 60404.2 42563.5 25890.8 6674.14 30430.2 13482.5 35517.3 90174.1 20559.3 97817.8 27689.8 2558.36 28688.8 14682.3 3405.06 823.082 19671.1 58474.5 39981.6 35461.6 14276.1 12665.4 54124.4 13682.2 21947.9 85204.8 153562 45097.6 14336.5 28648.6 8475.63 49147.4 49154 59309.3 23393.1 18328.2 63985.9 19576.5 1359.92 35887.4 1501.72 43170.4 14341.6 15301.6 14839.7 10139.1 10071.4 6788.89 30654.5 18420.4 7376.83 18842.1 14983 1790.97 50423.6 42258.7 14691.1 22508.3 22210 10835.4 12186.2 3251.98 1449.52 13868.1 15462.3 2932.86 828.227 1685.81 8123.01 1746.23 5554.02 2862.29 15316 5761.39 34920.8 1666.22 16389.2 32280.9 36649.2 22578.6 7772.92 16842 6830.84 13823.5 1189.58 12061.8 19890.3 4000.08 12163.4 5911.61 11410.6 15578.8 549.197 2280.65 27201.8 15678.5 12791.6 12456.9 22307.5 23827.7 25928.8 138564 20482.3 31079.7 132317 9757.58 79259.5 7803.6 84496.7 46894.5 23663.4 66645 7902.66 18827.7 12708.2 11728.8 9962.6 19724.5 7009.31 2125.13 37917.4 34436.3 30536.7 30165 6205.25 15100.1 6200.99 30389 46287.7 28347 8268.56 4205.66 21584.2 36109.3 8875.93 22864.9 18200.7 8719.88 31667.4 10655.2 26062.6 19015.7 77445.8 17089.2 8073.27 32762.6 60492.4 5446.36 16195.2 23986.9 7486.84 43159.1 10792.9 63063.3 70130.5 97411.5 62005 30131.8 24763.4 14012 66146.1 33988.6 35353.5 65453.6 8242.57 23863.3 6917.14 37505.4 47819.5 11136.5 31093.5 18959.7 37016.8 38123.8 76950.8 C14 carnitine 0 0 0 0 0 2455.71 143.176 28.5218 0 57.8542 22.483 5.04273 0 0 0 0 0 0 27.5446 7.37403 0 20.0575 0 17.6623 0 7.78234 0 0 0 0 0 7.03276 0 10.0552 0 0 11.7169 13.9819 0 0 23.5825 0 64.2301 0 771.682 2.22953 0 14.1376 61.7255 60.2763 15.1074 0 38.0803 14.1604 694.904 0 21.8235 39.9074 0 0 142.358 4.29274 23.2122 0 0 0 0 0 34.9323 0 110.964 6.66515 15.3155 0 3.06646 42.7519 39.5546 0 65.4404 76.5197 0 0 0 0 35.6764 596.442 12.6091 50.2793 16.6121 112.214 0 0 0 43.5105 0 0 10.7282 0 108.639 0 4.7378 304.721 0 8.84263 0 0 19.505 66.6699 453.961 196.893 0 351.071 0 0 0 0 0 78.5683 0 0 0 0 0 0 14.6114 0 0 24.288 67.7818 110.84 71.1267 140.173 29.3312 24.4125 141.024 8.07153 0 34.6747 128.502 19.0135 47.843 0 46.4902 9.96758 8.70644 0 0 0 25.1964 24.0288 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8.61583 0 0 0 22.0041 0 41.5327 7.56761 0 6.23558 0 9.09 362.053 0 0 8.26361 0 21.7789 0 0 593.93 0 0 115.622 4.62861 27.621 236.65 10.3159 4.3507 0 4.75521 0 64.1684 0 0 0 0 0 187.184 0 51.9771 78.0958 0 0 80.0456 0 35.6503 C16 carnitine 90.8575 10.3781 19.0917 419.867 51.5269 5574.94 595.4 703.119 63.4764 195.315 255.336 14.7228 32.6181 38.0747 71.2558 0 0 13.4722 25.1636 28.3615 12.6578 45.2643 8.5643 114.504 5.98184 75.7434 3.09822 4.41577 14.498 53.8708 0 273.018 0 63.966 0 0 72.6857 110.176 1.84308 0 177.738 0 141.938 103.12 1000.33 264.042 14.6406 12.8626 88.6161 186.516 125.845 11.0366 165.874 111.856 508.548 28.111 53.9326 197.594 0 0 284.206 62.8197 53.5225 110.59 24.066 1.35303 1.17854 0 211.684 4.69654 1046.21 75.877 173.706 71.3544 44.7726 221.934 331.561 66.0471 614.284 565.778 0 57.3356 11.649 4.65858 331.778 1218.79 50.0915 237.739 165.13 168.326 18.1855 3.55513 44.5471 65.1143 126.316 59.621 327.452 164.262 41.9385 35.3495 113.176 312.986 0 145.837 0 36.3523 90.1642 322.94 886.015 573.766 0 400.618 11.823 0 220.818 16.9675 14.4733 482.471 0 64.9549 0 0 15.0711 0 216.996 0 40.0579 127.879 356.608 318.182 198.233 362.102 58.6986 719.369 580.197 33.418 65.4628 113.645 794.971 177.822 251.57 0 309.607 0 43.3709 0 78.659 3.37426 71.3948 309.582 40.4693 38.1683 0 114.095 0 6.29728 3.12692 23.8883 6.77162 0 0 8.13149 5.77426 10.1139 1.10347 31.7324 89.0454 0 14.7219 7.09093 0 5.60236 0 210.984 23.5686 7.66773 21.5165 326.614 25.7077 111.796 105.177 7.53315 77.1127 9.42944 40.9146 901.073 4.20155 44.0291 99.7257 9.97156 141.037 9.67478 9.71841 1242.3 65.3698 6.35541 435.241 102.288 213.159 372.533 286.772 230.118 11.758 75.1099 18.5196 224.417 9.12338 47.967 6.41174 9.6093 26.3163 684.618 21.041 79.761 100.562 116.509 65.8131 438.419 1.95839 188.695 C16:0 LPE 166.554 230.447 65.1043 321.457 334.148 158.345 360.299 56.059 195.671 100.147 301.25 220.084 634.57 453.966 240.533 131.99 69.7357 78.404 477.121 256.031 0 200.818 317.005 173.765 245.682 882.161 1012.88 277.073 532.962 89.9045 149.973 282.529 71.2364 93.8481 391.631 57.9394 470.185 1182.11 10.4677 189.955 559.272 139.989 248.386 118.644 206.024 154.228 195.372 201.399 75.0824 170.948 216.497 334.019 179.823 324.207 1009.96 525.343 560.163 552.684 223.653 471.733 74.567 164.535 60.3796 212.922 545.964 15.7587 39.9776 120.458 76.3855 85.4823 321.723 14.9969 158.915 255.486 614.429 45.6628 198.099 64.362 278.13 678.58 32.8391 78.6603 98.9867 68.1689 527.14 283.884 112.627 109.488 543.641 187.523 258.334 106.508 23.4004 216.947 196.254 173.262 67.9446 146.465 11.7946 342.414 202.359 1756.61 767.078 943.212 88.236 634.942 1314.55 1597.23 476.288 1939.18 1111.85 149.915 180.588 341.59 791.514 809.08 110.821 1520.68 394.807 1171.6 440.71 490.857 769.248 385.711 1158.92 82.3867 227.866 132.957 1476.32 67.0842 1393.44 851.592 265.317 455.297 1540.07 325.497 780.143 20.5087 1920.24 377.149 132.627 30.1395 1428.26 74.2209 195.183 113.79 320.33 288.197 895.098 1498.83 444.114 0 803.326 144.255 490.087 46.0357 216.785 237.966 195.626 80.8225 32.7188 125.024 123.115 86.2016 38.1241 345.967 130.535 55.5763 63.3289 239.313 70.6177 69.2502 44.7468 67.1827 1123.66 137.951 60.2051 196.905 373.654 1625.46 405.57 31.3072 120.512 159.406 503.164 308.48 28.1833 858.435 663.96 125.229 356.354 145.786 142.79 85.8828 554.856 65.1743 1971.4 94.2518 262.45 1035.6 368.956 596.76 63.957 291.642 333.324 499.397 171.972 365.685 127.271 59.9706 132.361 1113.35 75.7885 298.918 728.011 1453.99 156.961 684.643 111.806 739.589 C16:0 SM 8.77323 18.9657 77.5212 9.93107 14.2525 0 85.9135 0 0 3.43905 202.791 0 10.529 21.4934 7.27027 0 0 16.0857 10.6172 18.8632 4.36705 45.0104 27.3261 30.872 15.1044 23.5416 0 0 46.4503 4.50878 0 572.596 0 12.5455 0 0 12.6658 0 0 7.07531 0 0 241.231 236.031 0 0 0 7.73672 8.23516 0 509.887 0 552.205 154.34 476.5 0 80.6343 187.808 0 0 37.6262 6.95791 0 82.0561 9.66339 8.06888 0 4.82486 216.017 0 12.868 41.9924 3.39325 42.2663 35.2933 4818.73 0 0 0 1178.39 0 87.1234 0 4.47526 1327.45 21.3765 0 201.948 0 144.801 20.6934 5.99369 16.3481 22.4889 0 954.791 14.0818 15.8263 20.3313 13.6744 26.8522 80.1802 0 43.7234 0 57.0598 68.8532 149.759 29.4307 21.6949 46.4667 124.46 0 13.5922 181.337 0 71.3828 17.0591 0 78.6843 0 9.83349 62.8432 6.74641 48.9356 0 0 151.131 407.207 204.895 38.7951 284.239 27.8171 304.015 0 34.3489 54.8242 128.835 427.137 256.759 23.4586 0 869.337 0 343.586 0 108.611 0 128.793 29.2725 77.0617 0 0 8.15094 8.22318 0 0 0 11.3606 0 0 11.1408 6.93669 21.8492 0 0 14.8376 0 0 39.0581 0 5.42054 0 0 5.05598 0 0 10.5975 3.74412 11.9018 0 9.39363 11.277 0 6.34333 8.07491 4.29679 308.762 9.59787 4.11433 133.285 6.15541 5.28721 34.3573 15.2107 114.566 22.1978 0 39.9387 25.3267 19.8232 4.5702 0 37.6812 51.7725 11.3463 5.88006 10.0058 0 15.5107 65.9195 0 6.67699 0 101.404 52.2571 31.3933 247.883 4.46018 19.2193 C16:1 LPC plasmalogen 0 0 11.3302 9.34377 0 5.35262 0 0 0 0 5.56076 0 24.7696 7.70786 0 0 0 0 0 59.451 0 92.687 0 0 0 0 0 0 0 0 0 338.151 0 0 0 0 0 0 0 0 0 0 18.392 4.93847 0 0 0 0 0 0 227.133 7.47104 248.956 40.7131 242.465 0 41.1784 111.914 0 0 293.745 5.01034 0 0 0 0 0 0 120.806 0 17.1277 0 3.32257 0 0 23.5043 0 0 0 552.121 0 23.1614 0 0 245.964 487.937 6.90335 15.7105 0 98.2241 0 0 0 7.27739 0 646.81 0 0 6.85761 0 0 106.662 0 60.8039 0 83.1482 94.6807 69.8235 0 71.4848 21.5579 39.2846 0 32.3986 116.699 0 39.4029 78.3831 0 64.3679 0 0 0 15.4494 9.87174 0 0 32.8887 907.162 5.30226 100.653 45.7121 175.251 110.837 35.8278 54.299 20.441 12.893 590.041 58.0561 0 0 694.755 0 60.0937 0 46.3464 0 21.3031 46.3052 30.6689 0 0 9.3655 8.10545 0 0 0 0 0 0 0 0 8.08326 0 0 0 0 0 0 0 0 0 0 0 0 0 9.41682 0 10.8493 0 0 0 0 0 11.1459 0 81.4312 0 0 34.54 0 0 438.665 4.54211 6.59482 66.2291 0 23.487 12.5274 5.40847 4.42583 0 6.02677 0 6.63155 0 7.22134 0 5.17651 8.615 4.25787 5.66447 16.3018 332.499 0 0 96.2768 0 12.1584 C18 carnitine 120.952 45.5003 45.5734 523.857 126.233 726.881 80.0155 379.676 58.8056 52.8165 62.838 26.1067 364.191 92.1214 34.499 0 20.565 11.889 19.9184 26.2413 52.7771 31.6415 13.9868 130.426 27.936 69.4133 0 11.2163 51.4128 60.8723 7.71309 94.5941 0 54.1015 21.0719 9.48681 69.9521 94.2314 0 0 197.433 12.4016 41.5209 51.9724 135.128 179.768 59.2058 12.3543 43.2721 52.869 54.786 28.2259 137.446 67.9466 108.964 88.4315 10.1805 109.083 93.6461 0 85.5709 40.231 100.84 143.515 21.176 10.6969 6.02053 6.32102 118.479 20.1916 329.954 36.0603 89.9452 88.4591 30.795 287.971 104.196 121.827 269.429 337.763 17.6684 54.1176 27.8681 11.1125 203.196 287.976 17.2796 124.346 73.5755 41.637 20.5429 27.9346 49.7335 38.9813 87.659 57.3325 138.57 87.8617 45.781 38.2909 23.3499 70.9356 17.7519 47.489 0 79.8448 21.3356 159.598 256.995 185.636 14.1809 113.744 118.302 54.4021 361.934 39.6354 21.0776 120.71 109.637 33.4887 38.2194 17.1899 0 15.7473 89.0674 25.8447 186.036 49.5793 129.776 115.244 51.4956 56.162 22.8604 785.121 171.09 25.001 148.214 27.7685 327.5 76.0832 44.1857 22.1302 165.733 0 36.0143 13.9957 52.0703 16.3335 43.6313 274.343 113.813 15.221 35.4973 222.021 12.6644 32.9755 13.3616 34.7921 7.53148 20.0348 9.57672 86.2128 22.5899 61.7797 8.96255 73.44 113.34 21.0054 52.442 36.6097 18.9521 16.2169 30.1429 137.952 61.6615 19.7254 131.027 162.284 46.8144 25.2219 140.615 0 57.7756 23.1232 24.0814 142.581 14.7737 97.486 104.562 28.5202 110.801 24.9623 41.1387 377.634 127.296 17.4024 112.6 62.3253 171.419 105.373 75.0586 73.9507 14.7174 202.65 26.8818 84.5058 34.6515 65.2788 37.8365 0 50.5334 364.374 26.6525 50.5838 43.05 278.637 57.5056 193.841 9.24785 65.0566 C18:0 LPC 12.5611 116.231 145.165 58.4543 8.42351 28.5169 1924.68 11.8799 7.24916 14.1632 336.265 13.4134 301.762 136.433 33.1125 5.97695 6.80006 12.3958 197.923 224.419 0 431.682 32.4937 87.2928 17.139 57.5075 8.82256 0 130.879 12.2818 0 3219.08 12.8004 21.1224 127.522 0 194.193 45.7614 0 20.3683 19.6433 0 423.923 97.2312 7.65277 64.3514 5.21341 83.9257 18.0506 0 1177.18 51.7026 1299.11 395.181 2281.67 50.7673 720.719 721.945 30.2018 47.303 815.185 25.2075 44.1205 63.8705 42.5813 16.9554 0 45.9896 844.766 0 158.542 30.3513 17.6122 54.2738 15.1281 301.793 20.927 3.97962 7.4356 3950.18 0 233.531 0 23.3597 2228 910.122 24.6673 925.918 26.8573 1219.75 41.8464 0 34.2196 137.562 9.02393 2668.83 18.3648 11.2143 141.115 15.488 38.467 2961.96 333.945 563.59 17.4478 378.973 1579.36 4074.38 89.2494 295.302 243.941 730.723 27.8062 290.69 534.932 110.897 323.336 282.589 33.3543 427.293 120.655 250.44 85.6662 57.8441 142.317 26.3841 47.1483 487.971 4522.13 149.175 533.207 3169.71 159.268 1511.37 132.284 892.881 174.918 290.196 4530.58 1257.7 49.9163 0 2881.79 22.0549 269.883 14.4698 361.81 88.5131 472.371 558.205 488.476 18.0679 21.6035 65.011 41.3139 16.3868 31.81 13.7116 23.5354 7.77772 33.1411 30.9299 35.5004 68.9671 0 71.5669 54.0964 10.2927 11.414 34.0684 19.9594 0 0 7.39631 15.3988 90.5553 0 47.5788 22.7575 381.888 25.3765 34.7723 47.4422 20.2672 36.8853 89.1474 14.6353 515.189 33.1321 12.4188 438.706 22.7481 24.2394 357.768 58.1881 60.3643 394.21 0 65.2605 187.876 976.579 25.1937 7.27442 129.067 132.273 54.377 51.668 66.0315 21.8569 26.533 118.084 44.2058 27.1385 79.1257 3310.57 21.7425 37.8352 1099.27 9.5021 79.5496 C18:1 carnitine 80.2597 48.0801 11.3401 240.575 78.251 3842.25 1492.18 426.228 40.1928 364.919 132.701 9.93316 32.7124 126.858 32.3067 0 0 6.59213 103.922 17.0227 18.8768 112.235 10.7272 81.1339 13.2636 100.566 0 0 34.7461 22.4801 0 122.894 0 27.4711 4.1671 0 95.4426 150.126 0 0 192.81 9.27982 197.242 105.411 776.095 375.886 25.061 7.67137 119.097 408.543 97.9107 0 71.5553 109.318 787.205 33.5969 107.162 119.055 13.3748 16.2027 368.513 21.897 97.2576 44.8574 0 0 0 0 77.5841 0 707.921 23.2293 102.422 67.9859 50.4316 59.3754 191.828 15.96 595.778 221.433 0 22.6332 9.6497 6.7918 144.576 696.679 47.2158 103.232 118.404 107.488 12.788 7.2153 39.9191 60.327 64.8371 30.6096 102.475 49.9741 24.8786 24.8414 67.6164 500.737 6.89756 52.8415 0 16.6744 46.7974 171.863 650.913 372.255 10.839 183.359 15.0497 16.7701 173.158 80.1665 18.2107 123.877 0 40.3259 22.0568 0 0 13.8934 66.0427 9.49465 56.0523 120.186 239.763 245.126 99.2881 165.414 90.9113 271.453 334.352 10.3479 38.8736 198.324 472.141 83.1257 171.943 0 155.466 0 13.0241 4.49727 111.977 0 89.4156 119.065 139.962 21.0956 23.9538 38.0361 0 14.7743 0 19.479 0 0 7.08913 13.1311 0 8.25104 0 34.2153 75.816 0 7.61662 9.34618 0 7.81917 7.3642 132.797 18.5465 11.1361 30.2026 266.722 16.9163 161.559 166.093 0 100.631 14.9214 16.8025 658.071 0 21.588 58.0117 9.48854 61.1355 6.63361 6.8898 920.408 38.7122 12.5762 142.759 111.932 119.103 236.078 210.088 78.053 13.2395 88.449 22.3941 117.627 8.69966 39.5847 8.69126 7.70441 16.2807 546.148 11.1176 268.78 159.094 65.7887 30.2959 278.977 0 160.53 C18:1 LPC 0 111.152 9.01723 71.9619 6.27084 49.5174 2719.34 0 0 31.6813 98.7636 7.69458 4133.44 319.611 52.6805 0 0 14.429 754.613 116.121 0 116.608 29.6309 8.77381 0 28.1542 0 0 148.121 0 12.3563 1637.73 27.8445 37.1957 133.764 0 1043.73 161.961 0 45.4304 19.9374 0 31.8558 141.829 0 27.8977 6.82477 233.065 0 0 370.792 17.3276 408.108 57.1244 1567.98 0 4511.42 727.144 0 47.6625 461.941 5.24683 23.9616 18.8251 219.311 7.36356 0 107.093 525.679 0 32.3141 20.1485 0 250.1 0 114.654 19.0851 0 15.7857 2473.64 0 38.2453 0 202.685 1602.29 262.858 25.0439 44.3695 388.665 245.457 36.6147 8.5927 16.6781 52.3711 9.20337 785.495 9.45986 0 17.9808 25.3382 272.205 892.492 1254.33 763.077 22.4756 140.05 4591.9 1638.44 312.25 151.665 254.059 172.758 84.3993 131.964 135.703 291.796 48.8855 50.8904 30.3644 151.53 308.812 81.0226 102.938 16.0788 20.149 8.66137 0 488.277 1638.91 37.2993 197.069 185.431 29.7348 89.8949 137.654 195.891 48.8095 43.0657 2039.97 711.02 81.5181 0 1231.03 43.7449 29.7436 7.95821 1347.34 64.4702 268.767 137.12 347.902 13.5806 30.0562 12.4532 27.5216 7.70696 6.75592 6.04406 63.6915 6.10626 11.1066 6.75447 9.65975 23.5713 9.60727 511.241 18.5491 0 148.046 11.8929 40.9733 0 19.7619 7.85756 13.5224 260.756 0 47.945 12.7055 2469.88 12.262 24.3567 3.82214 8.624 15.9754 10.9287 9.8941 70.7449 33.5958 8.4645 95.5914 9.75715 0 96.4943 17.9284 0 254.521 0 28.3478 27.545 34.188 60.6984 0 86.2749 743.855 0 20.3246 21.3113 15.1194 5.43404 20.0622 22.7171 13.1942 48.8737 648.578 7.92908 16.0362 495.663 5.25811 81.023 C18:1 LPC plasmalogen 0 0 42.5129 9.02063 0 0 79.3563 0 0 0 5.88501 0 10.7968 0 0 0 2.75543 0 0 16.3799 0 77.8588 0 0 0 0 0 0 0 0 0 1668.91 0 0 0 0 0 0 0 0 0 0 23.1024 17.7841 0 0 0 0 0 0 918.925 0 871.141 127.333 1183.83 0 63.5901 348.164 0 0 81.7032 0 0 0 0 0 0 0 352.665 0 19.7449 0 0 0 0 107.378 0 0 0 1660.29 0 79.4486 0 0 1052.55 22.8504 6.7806 121.46 0 55.7586 0 0 0 10.5971 0 1974.79 0 0 0 0 0 126.785 0 13.0042 0 126.709 254.477 224.846 28.7019 40.467 0 114.957 0 11.0846 244.281 0 82.402 8.40521 0 205.287 0 0 0 29.2826 11.4635 0 0 207.909 1455.12 10.2963 51.0318 21.5788 58.5141 157.648 0 20.2306 9.40854 8.09203 1189.51 193.57 0 0 1277.45 0 102.583 0 161.562 0 77.8324 26.0189 86.5249 0 0 0 0 0 9.18635 0 6.72328 0 0 0 0 32.7385 0 0 0 0 0 0 0 0 0 0 0 0 0 23.4946 0 80.1104 4.9635 0 0 0 0 0 0 459.356 0 0 197.766 0 0 10.5133 17.3813 130.508 32.9567 0 21.8564 8.38243 15.718 0 0 25.272 5.06524 0 0 11.1487 0 7.05153 39.5452 0 0 20.3939 455.482 16.0638 0 454.373 0 24.0887 C18:2 carnitine 11.9279 23.2939 0 32.2997 11.3627 2639.3 819.45 88.6954 22.9467 350.839 40.9395 2.085 9.57361 39.0601 7.91147 0 0 1.96482 83.7188 6.70085 8.06121 80.7915 0 17.6043 0 27.6427 4.96184 0 0 11.9937 0 38.0216 0 14.3145 0 0 24.9452 77.9956 2.49373 0 48.3856 0 80.945 59.7199 410.491 60.6473 5.98113 12.5472 66.2543 306.979 43.2673 0 18.5643 24.5399 847.989 0 52.6079 54.6311 9.59311 0 218.029 4.73592 13.0008 13.3204 0 0 0 0 51.3017 4.88493 298.74 13.8828 52.9141 8.37311 6.77322 17.1812 127.699 1.57386 283.152 139.509 0 11.3896 0 5.11321 53.1536 221.196 14.9285 56.3306 42.651 95.4058 3.4025 0 0 17.7591 10.823 7.97631 36.8015 13.8032 14.9166 8.46816 56.7488 258.103 0 21.4438 0 13.9791 41.2117 116.918 222.866 227.292 0 133.661 6.34627 0 16.9066 16.1748 3.31839 60.4176 0 12.9245 0 0 0 0 47.6194 0 33.0323 46.3611 108.136 148.773 49.3974 110.105 64.2248 44.6601 231.348 0 23.4173 77.7642 194.569 37.6824 182.391 0 54.9965 0 0 0 37.915 0 48.8608 42.7167 40.5194 0 0 0 0 2.90526 1.09869 5.19302 0 0 0 0 3.81734 4.28941 0 9.03761 9.21025 0 0 3.71506 0 0 0 18.8762 4.40779 4.98488 0 94.1056 1.61894 189.079 30.7039 0 34.226 0 10.8732 328.811 4.61564 0 24.1777 8.13348 22.063 0 5.6406 274.016 9.83325 5.2073 109.618 13.8139 44.5297 125.817 78.8218 19.2891 6.7349 14.7024 6.36408 22.8276 0 8.97601 0 2.34622 3.40896 197.823 4.6096 114.871 135.722 12.2574 7.21985 80.0775 0 94.587 C2 carnitine 0 0 0 0 0 59141.6 740.035 0 15.2102 6.78147 14.8356 10.3933 61.2982 0 17.7731 0 0 32.5485 9.37488 141.674 5.37395 0 12.4101 64.0001 0 9.21986 0 0 31.432 0 0 1474.6 22.9727 6.81205 0 15.7236 0 6.29244 0 22.9972 17.5025 8.13744 30.2477 6.83489 279.043 0 19.4252 43.4617 466.987 21.125 409.077 0 7393.91 192.181 1282.61 0 11375.8 819.452 0 3733.05 54899 950.764 0 8.00086 126.726 0 14.0682 47.0707 2531.2 24.6881 20.5758 43.0356 5.02525 16.2499 6.66602 16333.4 8.40427 0 0 4232.78 7.40167 12.4587 0 11.2602 941.424 99841.7 35.8811 685.622 19.0534 5845.3 70.1543 13.238 23.3823 25.7189 0 1754.39 0 84.9951 33840.1 16.109 8.84487 11.2687 0 11.3154 217.429 97.1415 370.457 4680.29 66.9549 31.587 0 4847.31 0 0 0 0 75.2086 13.5249 21.9781 12.4563 0 0 0 0 19.1799 7.10243 0 289.199 62.4252 33615 57.8098 123.915 23576.9 7.59623 0 15.3493 0 1050.15 206.166 628.778 103.57 0 50.8733 70.9749 791.789 0 452.854 17.1672 613.882 112.47 0 34.77 45.2667 15706.3 36.3955 0 12.5116 5.66884 0 5.94543 0 0 0 0 0 0 0 0 9.96577 0 0 0 8.58979 0 10.6837 10.6356 7.73544 0 0 29.4683 5.45564 0 0 0 6.74609 16.6036 0 6.62998 0 8.11554 221.576 0 38.4239 6805.42 9.66711 9.86359 19399.4 3.25808 219.458 9.06609 14.2 0 0 15.4462 7.77227 16.0704 0 7.3936 0 0 7.88457 11.1129 125.466 0 663.19 0 11.1324 556.183 0 121.074 C20 carnitine 33.6062 26.7825 16.4467 56.7279 37.5538 31.4449 0 30.7946 10.6732 0 5.70933 11.4718 129.716 0 6.05609 9.9788 31.37 0 0 8.93189 36.8484 3.14942 0 24.2979 15.127 15.9152 0 0 0 24.9741 23.4148 14.6576 0 27.231 11.6986 21.9487 0 22.5147 16.2582 0 37.6881 12.7056 6.55423 5.58373 5.15724 23.6926 15.903 0 0 7.62335 11.1734 0 56.0681 8.33411 16.551 22.5571 0 23.532 16.9706 23.3229 23.5156 8.72663 11.9082 47.5927 0 19.8763 0 27.453 25.1142 37.8934 32.1715 25.7258 11.7801 11.8531 4.01192 102.877 9.09883 22.7984 0 72.1094 59.128 25.0415 22.8684 47.0766 25.5954 51.9901 0 7.04701 8.36483 0 0 55.7919 7.92743 0 16.3721 19.4518 21.9652 22.8785 22.9639 0 0 7.5789 53.7861 0 0 22.8594 0 0 23.9854 15.9538 0 0 44.2065 37.2962 54.9654 0 12.2468 25.5072 85.0452 0 11.9792 0 0 0 25.7435 12.258 93.993 9.38067 26.607 21.2265 0 0 0 251.852 28.2036 23.3343 29.2707 0 71.3107 11.1288 0 63.3407 25.9533 0 14.7897 8.44831 22.6835 18.7484 0 161.317 21.2386 0 0 50.9288 0 23.1082 34.4322 16.1704 27.461 55.4035 6.9984 28.6157 98.6062 50.5573 6.528 12.043 24.5944 11.421 35.6555 9.81928 23.2373 0 14.9988 24.9256 24.2477 16.126 160.928 18.1717 6.55667 12.3715 34.5017 14.81 19.9723 13.4346 0 15.4138 6.07342 35.4584 30.5843 7.38135 26.3616 6.02543 8.76107 49.4704 70.225 8.46914 4.59366 13.0705 30.2114 20.1614 13.0276 10.6043 0 63.3557 5.25488 19.8971 4.02285 35.5788 13.867 22.0879 19.052 70.4711 11.3819 7.23401 25.6798 41.1746 14.2515 28.6702 0 11.802 C20:4 carnitine 223.411 720.401 1825.62 1016.67 1306.05 0 0 2075.96 0 286.419 0 1335.83 480.637 333.161 1562.9 2531.86 1290.28 771.155 195.61 0 1764.9 466.193 3411.16 395.823 1094.04 2850.49 6246.05 976.063 2200.08 252.949 900.537 16.6137 4196.98 90.2305 2808.49 2032.76 93.7922 2407.82 2418.53 66.4504 1581.7 1952.21 22.5377 20.5883 13.6324 800.539 876.639 0 0 4.19019 247.045 1065.42 223.072 69.6317 16.6888 177.868 0 19.4829 599.775 1557.51 0 304.896 253.938 346.631 600.428 1962 1374 232.261 0 2712.06 7.66479 1062.23 217.638 344.611 1033.89 0 139.715 161.43 0 0 370.931 1443.33 0 0 80.0691 0 54.8258 0 38.7002 0 277.758 334.61 864.161 200.664 874.344 12.3827 348.389 940.782 0 2413.77 0 26.249 1119.59 633.703 1155.38 1202.57 2313 0 13.5533 831.025 303.843 1222.71 755.8 359.556 1188.02 17.525 1939.66 4488.04 2474.8 360.2 1065.68 383.939 37.2754 81.6879 887.648 2093.42 1294.44 0 0 0 0 0 0 1211.79 12.9638 25.9901 23.6696 0 980.45 0 1719.11 1671.93 927.259 6146.5 0 1494.08 124.16 5721.36 0 438.385 431.763 91.4882 238.4 934.428 1222.06 987.394 806.279 839.004 647.367 23.9578 344.517 840.381 1173.76 677.473 12.6546 29.259 596.191 4.39125 66.1704 219.249 85.1117 46.7988 979.738 211.019 19.1847 356.312 406.116 30.578 9.12678 0 17.8957 2627.64 23.4932 575.611 2277.29 0 517.484 326.048 150.439 172.542 0 525.086 210.841 0 1088.47 224.83 0 431.87 679.267 156.977 9.23586 179.714 1445.23 18.0424 44.6687 65.9767 266.114 338.62 80.6872 394.407 244.012 293.313 414.432 24.4787 0 321.587 60.2696 270.641 263.63 956.033 C36:2 PC 10.4174 27.6128 0 9.98243 21.7531 5.94332 2736.96 0 0 0 0 0 214.61 29.6705 18.0998 24.7504 17.4057 0 24.9341 30.8262 0 0 12.6287 9.73267 8.46313 20.0133 14.7232 0 51.2605 0 20.7042 7.19922 97.42 15.2095 66.9801 9.0953 162.489 9.87577 0 13.5862 10.7154 28.2699 0 24.6279 0 11.59 4.946 11.2211 0 0 17.2958 22.2297 51.2368 13.4421 0 0 175.594 11.0483 28.0413 14.7321 0 18.048 12.2176 14.2421 0 41.6308 48.506 44.2737 7.49177 35.4162 0 0 0 63.9983 0 5455.12 4.74654 7.34213 0 1198.23 84.6989 20.0551 16.9955 153.129 1731.96 10.4325 0 16.6528 32.3666 28.5505 15.1129 0 23.2436 48.9613 15.9083 37.089 0 10.2967 0 0 5.52882 2114.94 161.22 32.2354 21.7942 65.6423 273.369 81.7358 24.7164 12.3482 58.3183 0 29.0609 161.041 38.0075 134.88 88.8534 0 0 60.3161 186.209 36.4592 0 0 0 6.03244 0 0 60.2007 7.88576 0 0 16.6477 0 24.9695 0 0 0 62.2146 12.6478 0 13.7942 93.6656 30.2491 20.5287 9.36578 0 20.7609 59.6755 9.68778 199.912 0 0 0 0 33.5039 0 19.9417 173.857 24.2587 24.9923 23.959 28.2867 19.6877 0 28.6969 0 0 173.256 8.6743 34.5989 0 16.3391 0 0 123.928 0 6.3509 0 342.657 13.762 78.1059 0 16.9444 0 10.6579 16.568 6.96648 0 0 0 11.8133 9.10985 9.4085 0 3.14104 4.38915 0 65.2395 7.77094 0 12.5641 0 35.64 14.5901 0 25.9255 25.1624 7.59701 16.6316 9.63738 5.43953 20.1455 8.64676 66.3852 11.3143 0 0 0 0 C3-DC-CH3 carnitine 16.0522 0 0 111.433 0 1420.52 25.1084 2459.65 7.24955 15.7241 4.19219 30.8751 2192.53 9.33148 44.507 0 0 34.1878 21.3001 68.9612 47.1622 2.65331 0 43.9771 0 9.33429 0 0 0 0 0 37.894 0 34.3426 0 23.1151 0 0 0 0 274.013 0 30.4646 13.2555 53.2662 0 33.2287 40.2747 71.0783 77.9069 7.10345 0 529.275 37.3072 20.182 48.4165 6.50228 56.3827 0 0 614.572 57.4073 22.414 147.298 170.365 0 0 0 144.127 0 280.319 684.278 63.149 0 0 15.4674 7.86543 11.5025 0 65.0102 0 0 0 0 0 1092.23 363.558 89.4871 93.9112 24.6974 17.675 0 0 239.186 0 6.45917 0 0 1290.71 154.203 73.9065 0 0 32.4025 0 101.427 30.8787 92.8871 974.583 432.987 0 169.404 0 0 58.3257 0 0 56.2068 0 16.3975 0 0 0 192.602 842.252 0 1035.33 18.6344 105.755 126.266 327.395 77.9072 91.8127 26.1148 244.36 45.2545 111.094 0 30.8824 17.2007 90.769 0 26.9368 0 258.647 0 1281.76 16.6272 1037.09 2268.29 22.1257 11.464 375.339 372.697 16.9603 0 0 0 0 0 0 0 0 0 0 0 11.8713 0 0 0 0 0 0 6.57884 0 0 0 14.3601 0 88.7722 6.22164 0 193.34 26.4674 13.4828 445.935 0 3.20505 30.3716 0 9.38545 0 22.2059 837.45 0 5.86039 265.559 0 7.6859 504.884 947.653 0 0 37.8644 8.26471 80.3239 0 0 0 0 0 558.381 5.30357 0 33.4203 0 0 31.4611 0 87.8177 C4 carnitine 0 0 0 0 0 11302 48.9947 0 0 0 0 0 0 5.78295 0 0 0 6.48231 0 29.6336 0 4.92588 0 5.48071 0 0 0 0 10.6748 0 0 0 0 0 0 4.66035 0 0 0 0 4.65903 0 31.5603 46.6884 403.568 3.26708 11.048 488.5 156.489 26.9707 53.1114 0 5374.31 16.5472 141.381 0 214.268 78.2187 0 0 10307.2 99.4573 0 6.37075 8.12478 0 0 0 287.419 5.54643 5.45552 0 7.77537 6.1667 18.9427 4766.44 5.06619 8.89249 0 384.155 0 4.69021 0 0 17.6265 13199.8 0 359.36 0 2231.98 32.3169 0 0 108.454 0 357.473 0 0 9259.74 0 0 0 0 0 0 0 54.3108 1095.24 293.075 36.7293 0 1328.09 0 0 5.80386 0 0 0 0 7.2388 0 0 0 0 0 0 0 91.6671 158.466 2164.08 39.5696 262.352 2344.89 0 38.0074 0 0 163.313 26.8479 8.95845 49.5776 0 0 0 293.279 0 26.9123 0 0 0 0 0 0 878.359 0 0 6.31119 4.92034 0 3.01226 0 0 0 3.72239 0 3.14097 2.62471 4.29483 0 3.93165 0 8.09738 0 5.93011 0 0 1.82237 0 0 0 0 0 0 0 0 66.7341 0 1.12309 0 4.07096 20.9662 0 0 1412.94 0 5.30156 1438.81 3.40509 54.8163 49.016 2.45467 4.41033 4.42459 0 0 5.55926 4.10203 0 0 0 0 9.03854 18.1496 4.20213 294.804 0 8.86542 35.8264 3.69016 11.1023 caffeine 343.804 253.395 15.3413 95.146 232.225 192.13 690.303 340.911 265.06 234.541 178.554 165.057 218.848 2746.58 17.0086 19.0363 45.1832 34.0671 129.996 47.8833 18.909 2.6707 14.84 209.98 323.942 77.2594 330.26 57.1408 268.869 97.8367 534.423 0 11.7413 106.508 632.874 35.1165 147.032 22.0428 0 250.994 192.7 192.726 155.831 24.774 114.327 24.9276 0 390.314 5.76133 32.3864 0 37.745 11.632 0 69.7604 269.173 361.149 12.7975 430.473 20.9019 218.295 72.1894 40.1037 20.1541 0 326.002 4.3046 56.1535 52.7619 160.503 318.963 79.0294 25.0411 173.753 86.1767 0 60.9325 112.36 232.47 74.9429 171.204 121.938 67.3702 0 21.6244 369.2 38.3972 46.9374 222.877 607.688 74.8536 68.401 112.339 3.30523 237.407 0 72.8776 117.94 7.60742 130.484 0 19.6853 284.078 78.652 171.349 39.3952 0 1274.62 65.5297 19.2807 264.895 0 41.7908 275.964 86.4859 1485.3 25.5016 51.5646 48.0609 27.1587 86.3824 411.367 48.4657 62.9106 0 49.4123 27.3617 7.57811 250.742 55.7037 66.7594 449.691 31.0998 59.2626 249.566 0 57.9751 0 140.588 378.854 71.2587 419.711 7.45654 53.3803 158.433 20.1453 32.1261 144.943 1094.57 555.273 26.5776 0 237.252 34.066 0 89.8465 0 245.269 142.1 26.2882 60.8491 197.567 122.709 4.36366 370.103 72.4883 132.41 395.784 503.871 2191.73 17.5086 330.133 16.3489 81.9703 1176.41 217.247 328.597 54.1342 50.8976 55.434 216.674 336.322 130.317 956.061 39.4829 416.784 140.905 9.73843 172.136 0 241.581 274.807 344.072 652.788 314.178 22.0036 36.8722 23.5117 328.824 9.34088 193.817 186.673 425.464 150.487 299.783 20.8565 172.604 147.776 217.581 68.9671 519.266 25.7572 56.806 225.085 447.243 51.7049 157.405 48.8627 222.763 94.8285 carnitine 1216.43 502.266 1919.81 323.669 1383.4 81691.6 2276.82 3406.4 1083.01 690.281 859.651 639.961 2720.03 1881.6 744.179 277.362 546.086 2466.55 808.7 4605.7 1627.05 214.967 1522.9 6156.41 1208.58 1452.26 272.515 642.046 1564.68 1391.03 1164.58 5904 1302.18 4114.02 835.05 1047.81 748.035 578.477 1815.09 3119.4 2187.69 2849.21 1507.43 1848.13 9161.15 415.811 4375.36 3949.96 2969.36 976.817 1351.05 1533.97 7997.91 1664.22 12898.1 1605.75 191894 3724.55 837.879 467.886 69689.8 15166.1 894.703 1732.33 5837.02 1501.19 2292.23 6388.31 13648.2 1500.85 2042.51 4482.36 1274.41 571.869 703.721 25110.4 4756 7120.41 1786.47 12776.8 1758.31 2469.82 4868.29 934.312 10205.4 76023.1 4386.97 8426.99 4062.87 14045.8 977.672 3149.65 834.34 2563.29 570.362 5394.02 1709.96 1229.1 127528 690.498 480.143 1345.93 883.765 1855.01 1366.51 2049.47 1868.72 6181.14 3530.63 5192.67 296.188 15105 413.742 1785.24 704.642 0 1559.47 4294.25 897.152 1212.34 837.982 578.932 1250.66 734.634 1039.8 873.845 7085.87 2180.28 2459.39 60975.8 2563.95 10762.4 33754.6 2296.8 1598.86 1597 3086.95 2405.71 2410.67 11362.1 2499.13 1004.87 1204.35 3140.1 8479.21 1654.87 1291.06 1088.47 15234.2 2202.86 487.688 4331.33 1484.91 79946.8 1956.24 1118.65 454.149 1063.19 1540.44 1322.01 683.057 948.114 3727.64 1428.18 594.556 1955.76 3605.61 347.024 736.65 364.193 1326 1074.13 2272.83 1600.28 2251.55 854.592 1177.87 482.639 1327.2 519.578 1150.09 3934.06 2763.16 2612.4 1166.68 17471 453.654 1136.34 573.395 432.013 7634.95 11312.8 795.769 31493.2 587.915 2732.15 71999.8 706.563 7650.15 2568.64 2163.59 781.833 477.96 978.237 697.199 929.047 1032.7 1426.18 1017.54 3623.6 2112.82 3200.57 2014.4 786.252 2964.2 646.318 678.864 5382.94 533.731 2403.35 carnosine 0 152.46 0 142.935 0 0 0 23.735 0 0 7.94991 0 114.546 47.2886 4.84936 0 0 0 0 0 0 0 19.6761 5.187 0 0 0 0 0 0 5.81728 91.1864 0 0 7.74619 0 0 0 0 10.644 3.82116 0 12.2353 0 0 2.94226 0 0 0 0 584.374 230.22 79.3887 0 83.4625 240.565 108.09 4.10769 82.3192 155.855 20.4745 10.7877 0 0 7.54272 19.9122 5.88623 0 33.9543 0 0 7.09926 0 3.8422 0 160.401 0 4.04569 0 225.824 0 4.03328 0 18.8016 66.8217 13.3986 21.5573 0 0 12.9364 0 0 0 0 0 210.187 0 0 0 8.61627 9.72947 0 213.716 22.4946 151.569 47.1039 154.057 47.8581 0 184.319 45.2722 30.3975 195.329 56.0032 266.715 48.8748 198.703 497.645 94.0547 129.903 16.2493 174.022 49.9052 44.7053 30.8113 74.7055 101.638 33.6375 36.4563 0 0 13.6119 47.4835 588.206 0 11.915 144.474 41.275 276.284 286.042 0 27.4303 118.536 70.7995 7.58831 94.2874 14.7945 204.535 68.208 17.9679 37.4737 9.18383 0 13.7395 87.3867 0 11.8462 0 0 0 0 0 0 0 6.85697 15.6407 0 0 0 14.0963 0 14.7582 0 9.76373 0 0 0 7.20894 0 0 0 0 7.65731 8.17691 6.51086 12.4184 0 140.22 3.74995 12.4724 0 0 0 9.65454 0 0 0 3.99586 7.5536 7.02674 0 0 12.3445 3.69856 7.79266 0 7.92915 6.76049 0 0 4.84962 0 9.88836 0 0 17.4365 15.8552 8.27856 0 0 choline 6458.45 9817.1 24272.5 3455.29 6105.21 66029.1 18504.7 5632.41 4991.57 3681.75 17010.9 6918.63 30146.7 6442.36 17101 5261.92 5219.38 12114.1 13029.9 25859.3 2783.58 18166.4 12133.8 17079.6 11736.8 12967.1 3655.14 4627.32 31617.5 4359.23 3346.07 45599 12852.7 18843.9 18933.1 2124.57 49082.1 8302.7 2048.26 13899.2 20242.2 7883.35 15246.5 13644 4703.87 4767.6 6507.58 23251.7 70770.9 2673.21 30148.3 5109.97 44684.3 24163.9 53208 5954.09 34922.7 28704.4 1253.72 4781.83 62556 7284.78 4630.93 14593.6 10853.2 9027.08 6883.43 18370.7 40612.6 6441.65 12923.9 12534.9 6188.53 26339.9 3938.3 54438.3 10596.3 1051.8 7756 63422.3 3773.25 29076 3113.82 7931.1 58534.4 50971.7 2999.11 21678.8 8496.04 94243.4 22609.7 2223.33 17974.3 20110.9 6243.21 57306.3 9282.96 7375.21 18349.1 2954.28 9837.6 57800.4 35133.1 15630.1 5993.98 4086.94 7287.52 20921.5 18449.2 10986.6 4237 1402.95 6289.86 23801 15448.1 8314.73 7502.38 11575.2 3627.29 16760.3 2446.43 9576.55 4440.82 2142.61 2378.87 2318.54 7344.37 11899.8 6964.98 21730.5 14225.2 67689.6 32122.7 8940.24 1974.34 19285.1 7089.87 65478 32124.1 55518.4 28053.6 5109.52 10989.7 3664.95 34209.8 1618.65 19913.2 10864.3 2774.37 11510.3 8955.79 2674.87 5146.28 15578.9 9508.66 19463.1 24550.9 26859.3 9987.22 15441.3 51850 20962.9 15913.1 20535.1 12899.9 35704.1 21859.4 10659.9 27961.6 24618 7889.77 8585.09 20270.1 14341 12708 54651.9 6630.38 13514.5 8436.07 13763.4 10859.1 31248.3 17447.2 15779.3 14992.5 27340.8 9748.03 15638.8 6984.51 2507 31405.3 12394.4 29950.2 57360.8 6623.96 24774.8 25593.3 5134.08 11363.5 9336.77 25328.5 11256.4 8467.72 10564.8 18353.9 22354.3 7659.35 21248 21335.4 8761.88 28078.2 5852.19 9202.85 14892.3 44484.2 4498.24 15910.5 45424.3 15655.6 9099.24 citrulline 3481.69 4066.71 2017.49 5627.01 3318.5 638.354 359.603 2130.17 1989.32 1155.82 2274.84 5222.44 6526.19 4138.82 3464.29 3013.99 853.872 1878.87 4636.57 3013.34 2350.51 740.299 5573.08 679.821 5134.85 2028.81 5743.94 4295.74 2406.08 836.498 3518.01 14364.8 3471.41 5097.54 831.612 1508.74 4197.78 3788.19 2241.73 4769.51 5266.86 7301.69 2299.08 2335.24 979.648 2197.87 1738.14 1940.79 6532.85 495.668 7174.73 3836.42 7575.67 2367.71 2021.56 3637.89 466.232 5322.52 1782.45 4295.4 3397.33 5557.64 2903.4 4363.21 7947.12 4068.18 1083.36 3409.29 7918.92 6219.35 2028.57 1725.11 1967.09 5086.98 3101.96 14615.5 2631.41 865.321 948.042 9376.87 1342.48 3217.92 4359.52 3211.17 7814.54 1832.3 821.797 4527 1667.61 1620.76 2552.33 1918.26 1474.87 3450.56 2429.2 22793.7 5118.23 3326.53 877.868 314.621 2605.46 707.853 3114.88 1283.63 1732.38 2381.43 5177.94 1300.6 220.256 6116.65 1288.42 2191.86 1781.24 1577.46 5505.93 3286.39 1702.11 7689.73 3970.71 2229.09 2252.24 2669.36 2362.58 1053.73 3349.82 2191.01 8099.74 2839.7 1502.8 143.192 709.496 1006.47 480.583 13748.9 571.882 5007.83 1678.24 420.569 5143.08 5184.92 1278.84 4224.77 1863.57 4268.47 3518.71 2862.56 2936.73 3605.44 1055.2 2187.01 819.155 1806.57 1750.19 9242.21 2965.07 4097.88 5502.33 2461.35 3384.25 3861.37 6209.01 4908.03 2469.34 4182.81 8546.63 6534.76 6448.2 3701.1 2882.1 7155.58 1995.64 7587.95 3106.9 5878.94 8512.44 3625.72 2560.94 4692.6 2904.9 2080.74 5493.56 2341.62 6531.29 5757.89 5229.37 19.7119 2803.55 4615.48 2704.71 7965.62 5589.24 7875.95 4223.32 1646.62 4653.45 5554.5 2990.45 7358.08 5074.24 3234.41 2609.41 3955.97 8604.11 1711.62 5900.54 4629.88 562.419 6090.14 2708.89 2220.52 3239.19 2460.1 3458.61 2462.1 1916.12 3369.41 7030.39 7662.72 3664.12 3098.62 creatine 188.662 60.7007 166.309 234.892 58.8871 7375.2 20255.4 131.215 473.687 2923.5 3907.54 31.5119 389.021 90.8144 100.846 12.5048 43.4019 212.883 143.051 6828.02 8.08356 10593.2 242.768 1261.4 393.523 1638.38 46.7431 181.45 746.038 21.7745 46.9806 13857.7 17.3017 162.721 26.0406 340.654 107.366 39.3204 24.8729 65.7327 52.1414 1137.51 11427.9 151.121 20147.4 32.5638 567.121 34846.3 30651.3 33098.1 5286.15 1256.64 12932 2799.98 8424.16 227.334 18560.5 3853.18 150.479 54.5245 11236.3 4618.26 13.7346 25.4933 159.575 225.953 56.0073 96.768 27795 888.273 63.1191 4829.99 45.2627 1142.99 73.515 9320.55 3055.05 44.8113 262.575 10833.4 24.9473 3228.73 269.595 52.83 6154.91 5919.14 128.687 14959.4 20.1542 14594.3 908.683 29.6445 330.101 18202.3 83.976 1420.68 603.29 340.738 19076.2 149.654 140.977 2213.29 81.0614 1812.89 563.724 507.132 21738.1 32701.3 13754.9 3575.2 93.455 17890.4 124.416 339.606 186.601 98.4149 554.677 180.824 52.7192 474.945 214.744 54.3468 140.21 47.5009 4171.09 165.669 180.449 9640.16 14874.9 10585.3 25680.2 13453.5 15536.7 756.208 14911.6 510.678 559.266 16886.7 1514.77 21508.6 25022.3 121.572 1534.25 199.186 18838.9 76.1065 4724.44 215.362 30236.5 199.517 546.388 19711.5 213.242 6690.02 106.987 34.943 30.2633 0 273.295 29.1572 109.324 140.011 41.3701 47.8456 29.6838 44.3511 2815.28 28.6775 0 53.2514 33.1818 27.1899 48.9671 80.7777 41.6857 63.0376 23.57 103.981 112.435 317.975 364.458 1027.98 130.261 38.5518 59.5041 21432.7 14.8987 9621.44 19.4031 41.2939 192.475 109.705 79.872 12261.1 345.032 1101.06 2730.3 41.3378 252.072 532.534 2055.27 37.6541 9.99837 170.231 96.4359 173.128 31.2939 63.9716 327.888 2630.49 505.448 221.731 428.279 109.225 8614.39 95.6073 111.04 6587.55 29.4834 724.002 creatinine 235.861 109.167 227.94 77.5904 94.4461 6334.61 5901.52 319.347 3759.68 12973.6 20589.1 40.8616 187.114 122.14 264.038 11.7908 10.9881 356.962 1913.59 14053.8 10.9155 2147.99 1762.05 13866.8 11661.1 11556 9.5955 1236 21479 23.2896 204.555 9875.69 16.1214 844.091 13.1866 5900.83 48.5016 110.047 0 7.38985 82.9987 15864.9 9246.21 166.107 23370.9 664.838 10723.8 32124.6 14966.5 5625.76 7116.11 6307.47 12118.4 6257.07 9868.56 418.149 11335.7 6508.98 192.543 0 17097.9 44929 28.86 13.4141 45.6832 335.408 17.9648 160.674 24956.7 2222.75 171.407 43471.5 27.1122 499.325 168.293 5863.85 20616.2 357.11 8506.98 8324.75 16.7844 8846.56 1046.32 332.934 2354.68 23764.3 12746.3 18914 59.565 70097.3 5543.85 9.02349 1279.61 25263.9 43.061 1916.68 13093.3 6318.42 25463.1 286.943 92.1244 8464.02 34.1664 3270.58 538.456 135.721 20756.1 9913.31 13345.7 8436.22 15.0353 19849.7 56.3893 0 52.0072 36.4138 94.718 25.6633 20.3822 54.3419 21.7952 35.627 0 0 1154.75 192.39 101.265 16140.2 13814.7 22253 9916.1 24167.3 27516.3 292.407 16013.2 2128.55 147.25 10582.3 102.125 7795.94 28206.8 62.3649 1621.28 32.69 38052.3 26.4205 5785.79 489.073 14555.3 979.489 37.9068 13650.7 65.5967 51843.7 39.2559 12.6692 13.2954 27.4923 1294.55 13.0986 25.8786 349.395 25.529 99.0559 33.0323 37.5983 5184.43 30.3166 14.9926 55.8089 0 15.0687 61.2162 1274.28 34.829 23.7516 15.8274 7267.6 74.6713 9175.57 4629.22 198.04 344.992 289.72 24.3664 34927.3 46.9813 22267.5 11.385 76.5946 493.613 462.154 155.632 16408.4 2987.15 8.2581 18021.6 178.633 2653.31 19186 24309.8 31.7367 0 179.94 1485.57 38.3717 66.5045 56.3067 2899.08 7531.53 330.063 2783.87 5708.51 227.238 9029.83 1527.51 40.8609 3432.77 17.5781 1892.56 cytosine 8.3909 89.195 0 32.0782 600.787 689.201 0 99.4457 573.709 57.8777 292.914 295.283 40.2071 125.691 186.97 47.2494 15.832 657.107 2166.2 204.687 55.4292 371.999 90.4245 140.123 0 927.525 236.616 67.3908 210.137 19.0232 63.4425 45.8479 37.2242 2225.54 48.1452 11.9582 1105.85 45.5563 38.4501 599.712 33.4073 691.141 692.885 10.1772 264.61 36.6095 163.736 768.91 10.623 68.197 9.17162 140.934 5.8934 52.8207 196.92 75.9233 0 15.3304 53.8083 61.2102 323.39 63.2766 72.6467 17.71 142.453 51.3382 21.1008 47.8906 142.563 194.691 285.047 122.537 135.534 1164.75 104.23 70.0681 50.8289 0 0 13.1029 61.6859 0 77.4495 19.8043 0 105.048 155.322 0 0 55.2709 859.249 457.203 0 242.487 82.4432 29.6367 7.84227 3.7734 683.261 0 155.92 1419.69 36.0144 51.5139 24.7232 30.1023 40.997 658.118 144.555 79.8619 130.332 309.702 297.941 33.5603 53.6178 1235.72 34.5771 20.8246 22.1962 97.6209 170.166 109.695 118.891 0 499.857 8.53248 26.2822 81.4029 46.1929 1142.42 56.45 15.9846 0 15.6976 92.1542 42.9049 23.413 0 30.1607 0 834.531 113.045 38.3169 10.1886 30.5119 0 0 54.9093 59.0818 74.0092 105.385 75.2144 0 26.8493 20.0215 1283.96 47.7307 99.0039 273.392 1000.19 647.156 62.4286 92.6543 797.085 3832.6 476.251 119.593 209.903 719.858 134.405 57.2237 235.752 97.8757 78.1587 1305.5 1850.93 132.67 214.043 90.8426 60.7479 114.621 0 199.306 86.0853 171.407 17.4663 420.092 14.1497 563.664 188.139 19.9453 149.286 188.783 0 193.076 250.18 69.6878 4536.19 1463.94 418.573 183.874 56.0719 50.8988 12.1947 544.942 254.091 0 910.503 208.481 93.6037 30.4237 173.567 22.9992 99.2098 732.37 642.357 45.428 185.939 179.873 54.9037 deoxyinosine 4.86366 0 43.981 8.24222 253.105 10.1369 0 24.6267 57.5938 256.549 7.75927 296.922 14.7278 0 84.383 226.785 61.4335 149.588 15.3721 61.0598 95.0912 22.9455 269.298 317.164 612.468 367.671 249.761 726.47 61.6113 84.8616 406.086 71.0066 235.081 101.63 262.381 106.058 126.904 586.363 119.521 221.07 426.196 199.769 38.0074 14.5311 94.9657 9.02437 229.5 265.155 130.904 0 114.118 46.391 21.4189 204.672 217.167 100.932 247.371 343.421 0 17.1433 30.7667 402.246 23.6085 97.9107 14.8796 560.957 39.9936 219.953 95.2849 79.8141 50.1171 159.01 36.063 476.229 102.606 21.6076 98.4778 0 92.8404 10.6199 26.8933 460.901 712.809 60.5655 361.772 0 63.1765 19.4843 160.942 454.538 81.5372 384.074 368.376 14.665 96.0696 350.386 418.173 136.378 0 23.8227 35.4079 50.7466 6.10464 0 0 0 0 20.5492 0 9.97368 0 0 0 0 0 17.755 12.8448 16.5973 0 62.4301 0 23.9955 13.2695 11.2679 0 60.4698 0 87.2224 0 6.17032 0 26.2784 94.0819 42.9967 0 14.0007 11.0377 185.451 15.6967 121.488 48.4557 141.132 36.4488 0 162.281 0 25.2622 6.98752 0 0 0 8.48979 29.8379 111.797 75.9779 59.2094 82.977 99.5537 487.61 308.321 632.585 339.21 70.4961 627.178 545.349 570.861 482.106 1076.94 108.615 596.142 91.3313 986.305 464.244 239.703 512.911 1224.93 98.3602 179.416 134.183 381.752 512.869 13.6524 501.943 829.883 19.5642 329.626 28.5543 559.092 79.8558 369.047 75.9048 679.383 228.1 60.2201 356.701 86.3142 334.747 911.717 226.697 282.836 104.428 322.347 492.616 21.2817 211.505 247.839 749.618 1139.16 855.441 136.493 518.342 376.257 601.242 336.464 93.7088 190.631 469.457 192.655 170.637 214.046 diacetylspermine 32.8053 1698.54 0 296.16 192.66 208.706 38.0127 118.906 1469.06 124.719 2562.6 139.747 80.2256 128.832 313.606 27.941 38.4 669.192 470.709 5884.13 0 473.368 196.887 269.395 26.6027 1381.15 72.8733 10.5248 52.7468 85.1659 46.1967 1475.04 10.0843 341.396 378.678 41.4361 369.681 4133.31 56.2002 525.69 1054.22 136.698 1844.69 8365.87 550.97 853.957 262.005 620.404 181.519 515.852 1173.01 309.989 1754.15 3172.09 209.958 37.4601 113.988 2407.33 0 32.9581 278.139 15.3925 392.452 36.9248 1132.66 27.5197 6.36413 18.8125 806.925 21.05 4616.58 1981.33 2360.46 965.226 1448.18 2302.26 2135.51 1053.45 108.682 1808.69 16.0793 36.314 13.944 135.018 2316.96 344.325 176.429 861.18 1230.06 59.4013 317.96 113.265 500.513 532.727 401.881 1105.71 0 132.263 511.409 82.3139 4127.19 1391.74 40.8131 206.799 15.0339 157.757 367.391 46.6635 107.132 1617.89 58.9034 288.932 22.3664 0 26.3662 412.216 16.2263 20.3044 0 145.718 297.391 109.823 450.113 90.8808 2208.3 0 65.0158 181.472 438.2 468.453 121.384 341.088 1245.69 61.0293 18.7384 408.306 9.44475 129.864 741.06 594.31 2135.12 13.3789 178.614 0 2325.3 0 453.972 17.7418 232.787 189.021 8.74832 1233 347.025 248.055 101.016 7.44094 1238.9 5.97835 38.4379 119.751 63.9351 28.1104 0 171.153 90.3825 44.4454 210.509 166.602 22.0729 246.836 35.713 41.4131 9.53224 176.695 421.592 142.876 253.088 2473.25 126.5 1416.39 73.197 9.19992 142.81 161.856 491.354 632.724 892.35 188.106 2406.64 9.24421 578.647 316.489 39.2855 357.486 163.318 65.9483 2163.24 243.052 255.112 63.963 3141.6 1011.71 64.6385 48.3925 94.2171 289.361 31.972 1192.55 28.4003 18.1791 71.5351 797.976 130.239 397.562 793.29 37.1737 16.8248 4158.05 41.5952 6308.6 didanosine 86.8014 230.383 84.1565 0 4.8904 0 0 190.289 0 2.96707 33.4585 271.167 94.0308 0 35.4228 113.981 28.9429 0 0 0 26.1174 0 36.9483 97.5688 71.4358 75.6531 0 52.8524 142.073 144.058 66.8694 0 176.002 35.6366 52.0775 68.5468 39.563 39.671 123.948 117.643 0 110.418 0 5.44319 0 0 46.2924 0 0 0 0 6.56289 6.44159 0 0 67.9003 0 0 100.112 90.929 0 0 0 18.2634 0 80.0704 50.4145 85.8216 0 114.891 5.35273 0 22.2417 0 0 0 0 0 0 0 57.6383 0 55.2927 112.527 0 0 0 0 0 0 0 42.6096 43.8977 9.83696 0 0 0 28.7343 0 0 0 0 70.3166 0 44.0918 233.374 21.6968 0 0 0 46.5696 0 64.4579 30.4393 58.5294 97.8983 74.8666 0 61.7615 77.2519 57.4199 77.1954 0 0 0 26.613 226.334 0 0 0 0 0 0 0 0 0 24.4744 0 34.5426 0 0 51.2157 12.3423 49.8316 0 156.531 0 172.38 0 0 247.972 0 43.4945 0 54.2451 34.5705 63.7756 23.7792 98.8154 86.865 115.117 96.9413 83.33 96.0711 39.8006 74.7828 56.145 103.69 130.446 70.9354 80.8431 62.9674 98.7541 0 49.0073 82.5434 32.0327 0 43.6055 0 114.962 72.9291 0 51.9664 0 0 108.653 20.6016 104.453 129.833 23.8879 30.7979 154.404 0 174.18 87.632 0 0 117.352 0 0 6.69627 17.7762 135.154 47.0308 0 26.2047 131.904 124.737 94.9998 92.6335 0 55.801 131.454 0 125.987 39.5031 0 67.3912 7.12162 dimethyllysine 75.6033 83.6951 941.07 534.451 1079.24 310.248 66.4476 415.876 473.288 894.063 706.355 290.421 179.526 21.9766 693.264 108.686 1449.66 871.579 767.404 298.512 1109.56 978.729 1218.66 898.85 342.6 447.218 181.14 75.9385 1802.01 56.3555 132.497 3002.05 127.148 1471.94 221.282 240.474 149.584 610.848 141.391 1233.03 1247.48 366.604 489.864 381.379 488.105 218.821 231.182 548.075 1562.11 1428.88 3592.7 165.59 3873.8 2477.02 3214.13 75.4993 1684.74 2525.18 21.6066 64.1992 1591.85 1954.01 1677.07 1597.28 444.159 264.626 64.7552 582.372 3072.28 500.656 945.407 816.335 725.801 483.034 292.56 7914.08 1730.21 579.391 2023.43 6706.78 31.6313 2623.58 77.9575 251.113 6526.3 189.567 1319.08 782.206 601.267 2922.11 433.959 580.968 1544.75 332.827 577.797 6902.59 709.959 470.632 652.878 31.2128 756.92 1355.4 38.8675 58.3971 20.491 151.994 131.32 88.4638 145.751 493.926 44.5024 702.308 57.019 20.2258 491.489 228.88 201.338 204.945 22.462 239.372 109.637 75.4156 160.807 73.8199 243.637 14.9759 69.8782 2272.96 1887.16 439.493 261.826 366.907 877.885 614.047 64.2952 126.041 53.8258 1479.07 489.06 2984.45 810.407 53.5483 1695.2 16.172 3301.08 28.8458 3292.58 137.554 254.484 133.891 30.5725 755.823 1039.33 729.201 43.523 59.1448 716.068 158.581 134.489 455.991 249.077 209.112 29.5055 1222.94 1695.87 1574.49 674.112 158.166 944.157 1143.43 49.2207 395.786 85.4793 909.476 884.795 152.252 727.848 237.833 730.848 1074.18 268.858 103.559 896.817 222.386 902.696 282.579 79.1099 3054.75 20.9715 1452.53 2591.98 421.154 243.442 798.857 154.118 1337.31 878.701 198.411 530.466 293.635 688.056 1148.11 1439.91 1467.59 2413.82 1160.08 690.358 284.443 517.032 399.621 546.23 783.888 163.1 64.9373 1071.16 157.486 906.278 2626.9 787.218 834.255 geranyl acetoacetate 34.3694 30.4021 25.2759 103.213 22.9368 0 46.9156 29.1124 38.1275 11.389 11.8108 20.1296 61.151 69.931 77.2614 112.449 77.8329 25.7411 11.6172 31.1959 66.4246 9.31032 67.3483 26.6383 65.4338 52.9995 83.0742 101.703 63.4941 157.462 100.106 19.0588 122.309 34.3334 110.415 70.2566 29.4096 86.7311 59.0622 51.7251 43.2956 54.6822 33.7534 31.7966 24.4039 15.0968 81.4871 14.1039 19.5959 12.2921 18.0641 62.9407 29.5008 13.3194 9.98691 120.633 35.1738 10.6219 49.6095 178.608 6.98874 113.865 49.3636 70.0717 65.9336 103.636 21.7612 36.2454 16.9526 85.6792 44.6993 29.2016 40.8165 38.3922 15.1863 0 26.9512 14.1108 50.099 20.7598 151.118 17.2266 42.3892 44.0975 9.41038 11.5827 27.3413 21.3896 55.4935 17.4357 10.07 52.8536 39.2755 19.7858 44.4256 6.99057 43.1066 39.1443 21.4543 29.8587 9.91967 12.7352 129.987 51.8531 97.1697 216.022 75.7262 44.5443 27.2612 47.8218 110.419 23.5669 117.832 60.5865 97.6753 17.3886 52.1019 241.149 168.019 91.0988 204.443 117.101 29.6108 39.0478 210.386 72.8199 22.3273 17.2906 36.2154 15.6167 22.3178 80.5182 25.7085 101.373 30.0092 104.706 89.7862 24.9202 29.6018 12.369 20.9812 170.136 66.7198 76.6242 41.3442 16.5655 38.802 53.2001 98.1894 26.67 26.2607 16.1365 56.872 22.236 79.83 69.291 109.05 37.1611 81.825 105.513 91.8644 62.7407 171.524 108.704 55.0815 17.1794 135.127 34.0053 45.8167 45.8759 111.873 13.5532 99.1807 88.679 37.1452 80.1818 24.4615 17.3473 13.4024 33.1479 20.2938 68.8464 51.2453 13.0682 89.7534 55.5219 19.753 12.5412 58.6465 26.1432 10.1091 12.6306 6.51271 23.2405 49.8675 16.7614 17.3287 62.836 111.452 13.8862 15.0941 68.0115 59.1718 13.0828 8.18286 30.5978 6.23775 89.5828 118.255 186.35 16.5456 17.5351 37.8978 9.9397 0 87.4472 25.1503 9.68025 12.7459 37.6957 glutamate 2471.18 1839.94 1855.71 2783.95 2764.35 344.211 813.205 4797.11 2272 886.454 1634.65 4726.01 2253.29 2406.2 3345.36 2604.82 2216.28 3753.01 1283.5 2698.95 3426.55 1901.11 5059.43 3593.78 3510.01 3849.28 4789.74 2994.17 3942.4 452.315 2896.58 5090.78 2997.71 3004.32 5503.91 5631.43 3449.14 4698.3 2428.6 6234.06 3745.61 5156.15 3829.05 2950.05 908.676 779.999 2225.37 1937.08 9900.36 1357.46 1532.25 6883.9 4744.8 1224.07 1696.76 10198.3 6881.18 3532.37 2685.35 8750.54 8835.43 4435.45 2943.52 1738.62 9435.94 3259.08 750.014 3387.83 13247.1 4545.04 1315.71 2846.92 2564.96 5771.59 2707.39 8674.28 2217.02 709.5 2750.58 6222.07 1880.46 2549.21 4676.19 901.859 8040.9 1440.02 2081 2045.76 2274.27 4700.87 1532.78 3232.4 2076.35 3162.63 1421.22 11862.5 3974.23 2550.71 10169.2 1214.82 2316.66 1350.83 3017.44 1234.8 3078.2 2474.12 638.921 2441.19 103.91 3018.87 5917.03 11740.7 5724.2 5328.96 10245.8 2638.5 4455.2 5325.36 4995.12 5412.36 3392.42 8615.73 7207.08 689.68 3615.21 3648.02 4635.11 808.951 156.658 2807.59 6207.9 5508.64 657.433 7202.27 51.1225 2824.9 2157.93 8726.27 2411.93 5827.11 2536.24 11056.6 1060.94 4004.98 5420.69 3461.33 2460.24 9046.97 1452.4 2752.25 2018.77 817.762 5855.92 3278.25 2604.15 3359.34 4335.74 2734.97 2844.02 5522.91 4531.99 2633.3 1220.3 3971.92 4088.14 4780.9 5591.32 4768.14 4307.08 3462.76 1024.09 5294.38 2848.12 2910.88 5006.54 3617.73 2254.37 3021.2 1083.59 1076.81 5013.48 541.928 4368.14 2937.58 1762.87 4497.63 860.603 1277.39 1312.39 1632.13 1507.52 4744.04 1422.84 6142.67 1801.33 1095.83 2515.32 5430.27 2309.73 1036.21 2041.81 1613.03 4635.56 1330.31 1917.11 1859.19 5396.74 4863.27 5446.74 1439.42 1503.39 1336.97 826.621 1556.16 2490.75 4181.2 3831.92 2010.27 3174.88 1542.47 glutamine 1648.25 803.868 1001.19 592.827 893.18 617.663 632.489 916.801 1371.92 827.587 1127.44 2173.74 1152.39 567.109 1488.98 1241.1 401.08 1556.59 2003.88 2500.46 1815.15 503.004 2754.3 1522.69 2364.95 1304.56 2462.35 1206.25 1348.42 634.197 1162.47 7335.34 1618.3 1673.39 1334.21 1222.61 1586.81 1711.92 528.017 1882.07 2697.64 1613.19 3034.42 2249.78 757.689 698.993 457.028 767.809 3247.9 182.229 2741.58 1112.65 6578.05 1425.4 1375.63 1767.11 19373.2 2410.64 274.134 579.719 10887.7 2027.47 2448.67 2676.73 3897.08 1916.2 396.951 1068.54 9433.19 1301.2 879.217 634.824 1446.3 4036.85 1989.62 3325.3 1377.4 645.262 2521.59 10881.9 636.192 2727.48 1613.32 2191.01 8078.32 3231.89 374.819 1634.52 1804.48 10476.8 1655.26 868.958 2556.65 2836.59 1372.74 10770.5 1941.02 1203.61 2159.52 529.5 1536.72 615.39 571.311 239.262 975.761 251.608 1219.09 2195.58 96.1159 1157.27 153.12 3853.86 697.093 483.872 3520.69 673.982 801.32 3233.29 1966.8 578.033 68.83 488.38 609.295 227.193 139.51 1671.15 3377.18 1339.46 87.3356 2691.97 568.525 1748.72 708.48 1210.92 22.0585 3681.69 610.856 10624 1008.14 11108.8 1891.66 4750.54 175.879 2143.15 2215.08 951.549 1734.71 2012.91 487.611 232.147 106.022 424.445 1623.65 1912.06 973.765 1417.66 3452.97 1956.76 1482.31 1285.93 1903.32 887.432 1223.14 1148.46 1046.14 4439.77 2310.95 1792.52 1254.26 2656.92 1459.86 2487.44 930.585 2388.69 1938.24 826.979 920.969 3448.66 995.682 985.32 1314.05 1359.62 4373.27 1998.59 3411.73 3089.21 1060.91 2850.45 1426.02 3902.92 2359.44 3597.34 1592.15 3341.04 1677.4 1019.62 1598.58 5824.88 2286.17 2112.98 1315.28 2082.9 3813.38 583.139 2520.06 2209.78 7693.42 3065.68 1977.77 557.797 1378.96 1501.94 1516.18 561.363 8617.2 1191.9 3668.66 3473.58 2778.78 1419.7 Harman 74.5234 6.57431 80.8848 157.374 14.5628 0 0 6.30349 23.1852 10.5088 27.022 83.3589 129.466 19.5436 37.3862 262.194 20.1387 12.3825 5.02523 30.9492 79.9786 7.28314 29.9671 51.8964 13.0599 291.273 83.934 81.4654 22.739 66.8709 136.076 0 77.8369 33.953 52.1322 152.948 208.728 108.535 141.571 15.1564 38.8211 29.992 4.46158 8.04876 14.0953 17.3275 31.2932 17.8017 0 6.74434 5.10041 24.2671 5.063 17.4418 0 193.338 0 60.337 31.9537 41.1609 0 90.3192 45.2977 2.22318 33.2073 25.2804 74.0407 22.2292 7.23252 39.2602 29.5496 32.8729 13.5871 8.64156 59.4594 0 5.91365 11.5313 50.0307 0 25.7098 57.7985 55.3494 12.0521 0 6.64017 5.33938 27.7011 29.1042 0 8.47402 63.9055 54.6833 31.9677 13.054 0 51.3832 35.1577 34.9552 9.33119 10.8709 2.07245 81.9371 281.362 63.7629 26.4108 0 0 33.8326 29.5627 108.754 0 42.324 228.586 154.201 0 21.587 29.5653 80.5866 21.4918 36.1822 125.894 41.255 8.46271 10.7191 5.30014 96.8125 0 7.50608 0 0 0 0 0 13.8159 37.49 24.9149 16.2567 0 0 37.729 49.7821 0 95.6871 11.5335 12.3434 11.4004 122.69 134.365 57.797 0 0 70.0786 14.821 21.4464 20.6574 36.6368 37.6162 43.4273 22.1604 29.3688 80.7041 51.0751 84.3916 87.2435 6.61291 27.8438 81.4 27.3718 57.7374 78.8974 36.9875 20.6743 8.39302 0 119.529 87.1123 14.2366 10.9216 32.6496 48.5999 39.2861 26.3661 170.148 26.3354 6.22461 20.8184 5.3039 36.0774 15.6442 22.6207 65.4028 96.6112 0 22.2022 25.4351 12.2612 20.8606 37.8394 11.3445 0 9.06445 150.869 11.4571 4.27591 10.698 25.6547 42.6597 41.5995 8.28913 7.44049 11.7367 88.7395 14.4019 0 16.6126 6.87233 70.1503 65.0076 16.9109 histamine 334.513 6.9663 812.257 77.0129 448.646 329.12 17.3163 5.7301 89.7926 171.417 1785.71 309.747 13.4697 7.48576 177.783 28.273 7990.97 1208.7 317.405 115.478 2513.57 2594.41 29.6733 182.98 41.3492 352.194 788.501 25.4696 201.455 281.811 49.1672 393.406 132.258 141.667 18.4598 133.809 382.545 1681.04 240.283 23.5482 3164.23 12.2685 1708.93 214.927 2217.33 597.655 5797.26 242.726 77.9564 4951.04 553.154 33.0399 96.0696 226.866 26386.8 17.0227 36.1857 1039.94 23.7364 10.8871 424.03 57.1485 251.449 916.474 79.9681 73.9855 42.3108 18.1639 2340.72 598.322 138.281 989.271 16259.1 3201.4 5474.75 128.612 540.345 51.3099 417.687 80.3156 19.7417 130.214 10.6248 70.9206 110.926 519.095 96.0022 762.299 180.862 13.6632 369.359 13856.4 102.022 422.597 899.238 346.253 56.1802 117.681 136.008 190.383 57.8923 1776.84 0 0 0 12.2486 45.2138 0 49.6276 26.2649 0 48.0258 0 11.4799 0 16.428 5.55427 16.4385 8.4226 12.6634 0 37.6734 27.7528 5.5467 24.5025 0 39.6948 267.541 124.752 52.437 287.893 211.623 21371.6 81.4515 1686.14 43.2755 97.7233 110.853 0 107.836 544.101 11.1549 215.615 0 152.439 117.32 486.651 62.5284 42.0183 49.1619 23.7075 146.882 232.85 197.936 140.268 50.5099 1221.49 37.8093 44.7707 230.522 245.243 197.774 62.9998 788.05 1072.09 66.5277 105.544 241.015 504.265 33.1915 44.0003 131.321 42.9443 98.1209 448.16 84.8769 34.3336 18068.3 364.033 3518.99 5393.56 31.925 206.542 1133.29 245.813 120.923 428.266 223.696 1927.32 364.636 50.5234 363.558 14.1982 307.041 2071.16 615.128 582.792 97.1783 688.786 436.217 400.598 218.674 2500.64 85.247 1059.69 119.695 462.979 1307.06 1300.06 75.7496 22.2336 49.6297 167.435 577.717 37139.9 27.4901 606.052 505.022 450.98 832.28 hydroxyproline 12.6369 50.1514 8.65496 72.6086 29.4991 128.382 614.922 111.808 47.581 243.422 37.3632 40.3798 162.536 122.331 58.1469 26.652 11.4058 52.7559 42.125 70.2469 9.31554 95.2446 56.1586 168.69 36.9487 39.1138 17.444 11.8843 31.7512 12.2991 13.5868 30.2821 24.8326 68.7116 55.3742 22.7347 14.2992 22.3453 24.4393 38.812 26.1524 30.1395 35.3391 56.4541 11.6026 9.57236 57.035 231.2 113.291 32.6553 15.3806 195.48 30.565 12.0061 16.0897 93.8099 34.0908 224.72 98.2703 98.1046 610.02 95.3341 19.2415 26.7313 112.634 50.8556 7.70349 24.9737 770.663 24.5938 22.8386 135.354 6.89844 45.0532 19.6117 210.049 51.3593 3.37608 15.0705 124.118 16.9849 23.2549 28.1123 11.3534 124.584 236.619 107.038 12.999 485.606 93.3904 11.7142 29.4184 38.8377 47.3906 14.3445 121.731 13.5825 13.2118 455.659 10.6349 54.2351 43.6066 128.91 108.706 108.491 68.1662 278.355 1450.61 984.814 116.389 149.429 2553.37 272.245 68.5438 138.862 97.9353 108.001 40.9594 116.242 82.7192 235.813 140.802 251.43 43.3276 135.206 52.0597 150.075 21.6696 183.291 221.226 3430.09 55.3949 236.744 86.254 1737.92 425.205 127.495 24.1276 95.9989 407.41 2366.66 73.8928 142.61 33.5721 110.223 38.6775 197.64 154.309 449.474 463.857 110.108 25.016 11.6879 25.9168 14.4088 18.2523 16.2407 11.4213 18.1274 30.38 29.5757 28.9639 13.4145 22.7497 34.9173 24.787 180.435 35.8656 73.1758 22.394 22.1506 25.2291 24.7935 58.4274 104.874 58.8142 32.188 143.814 14.3206 20.9758 29.6572 17.3414 323.894 19.7947 8.70023 47.3681 9.38321 39.925 27.7136 5.79342 27.0744 33.3036 14.2348 793.748 14.1494 5.78597 76.0967 32.1434 14.5183 113.861 377.701 17.2503 16.5386 20.1454 19.9877 15.3165 57.7515 86.3629 38.7755 23.0778 14.0907 6.88073 14.1072 7.24198 296.195 91.8587 24.3681 17.0344 31.9745 76.4675 hypoxanthine 10825 6602.61 16797.6 2250.32 30399.7 3881.77 915.947 41943.1 27231.6 44789.1 15831.4 14966.8 13687.5 4951.79 34220.9 12767.4 17986.7 43615.5 6052.45 29767 59912.1 10402.6 38139.6 45207.4 30123.8 61559.6 37072.7 51223.2 24693.3 42107.3 20392.9 31666.1 17995.6 43516.3 22424.9 32287.4 59503.3 52292.2 15742.1 30974.4 17790.9 34250.7 12559.5 19396.3 11511.3 6967.87 50578.9 5990.05 15661 8488.02 22904 16874.3 30389.5 23152.5 13040.6 13807.6 13240.7 25258.6 2149.16 13266 19338.9 25971.8 25962.8 27417.6 10256 34330.9 9744.17 37775.5 17465.5 27492.3 26421.5 22023.9 15002.8 105880 27043.3 77733.5 30326.2 9151.48 25419.4 33497.2 26509.4 12222.7 52164.9 14865.9 23566.5 209.834 1481 12796.1 27483.8 17172 17024.3 16247.8 53442.3 16243.8 32042.2 23726.7 21267.6 19880.8 8404.81 912.356 15548.7 66292.5 8337.87 13537.1 3584.44 14779.9 19463.4 4686.37 2082.71 18804.9 9096.97 2300.15 13621.5 8751.8 13897.8 17402.9 6058.11 19590.9 4933.67 28307.4 18514.8 6374.86 30331.8 8217.92 35246.3 8744.29 6846.35 11941.2 1592.87 20580.4 4581.21 9413.42 32345.1 26046.3 957.043 8806.64 9409.45 23085.5 16976.9 72994.7 39439.6 8069.89 21722.8 408.118 21607.2 2655.07 3814.74 11852.4 6409.79 11579.6 5285.89 1998.57 8505.05 7424.8 5826.89 55140.7 28771.8 26557.3 23576.6 49932.9 58674.5 40625 17464.3 47711.6 43488.6 31168.6 61431 32478.5 34070.5 71884.1 10972.6 40876.2 33626.8 59053.6 94082.5 51751.4 45798 52585.1 17037.6 28055 34064 8411.91 52554.3 31206.5 41865.1 7084.32 19887.8 14806.6 24066.9 29234.5 23951.6 68958.5 17178.2 19524.8 18192.2 9526.07 18330.1 60359.1 28105.8 23826.3 21848.3 41001.1 26712.3 10915.1 18691.4 27301.9 20763 60920.6 68678.8 24720.2 14754.1 39182.2 18041.9 14658.9 8381.27 35810 32078.9 34231.7 31429.4 36549 imidazole propionate 14123 496.276 1653.85 971.049 2928.65 0 0 1035.5 3061.96 13572.9 7879.84 10670.2 134.597 2628.53 3325.55 361.345 1711.12 3041.12 10112.1 3742.71 675.323 7537.26 1011.91 1668.3 1207.13 736.651 10061.2 319.04 2077.3 995.105 871.514 1523.51 821.449 290.598 27.7197 556.808 283.403 6252.88 240.219 88.9338 105.574 302.213 5614.01 13756.4 14461.8 960.589 367.827 74.9411 0 423.329 5220.84 334.005 56.0031 4982.19 9832.78 1027.82 174.932 6979.13 192.376 121.271 8.23459 10593.4 145.203 239.748 4563.62 205.422 25.9646 182.987 20.1561 10230.3 2641.51 11262.2 9188.72 226.351 636.371 2427.49 9224.28 558.803 408.91 2033.11 99.3485 9793.65 1315.75 531.89 3610.48 26.5052 1938.2 132.011 20803.5 22.1206 1557.4 302.388 442.174 66.0595 578.228 1541.53 90.1946 175.174 435.926 499.222 20615.9 20085.8 117.298 3070.08 408.904 188.892 3751.19 28.7403 13356.2 11717.6 271.05 18.2179 183.155 131.02 345.593 3289.29 782.787 1191.57 134.788 2462.93 168.232 391.757 266.097 1219.12 7422.17 444.741 740.731 1642.69 7.54775 6.43046 1767.72 0 3417.97 416.337 154.003 4650.21 188.992 0 676.48 673.934 12379.1 994.512 2999.53 52.2011 7281.87 49.2528 3806.93 107.376 2589.26 7931.61 32.7698 15784.8 233.979 231.171 496.676 33.0857 878.621 13548.4 155.106 1461.77 352.413 51.9785 11.8505 26.006 40.8664 11.5304 606.114 95.0244 712.204 27.4427 23.3265 21.5298 27.3041 6962.99 42.3356 344.615 158.682 1995.61 144.348 8352.94 34.827 140.421 3400.26 20.3528 8630.11 1613.18 22.9308 20.4467 6681.55 16.3338 964.117 59.046 53.9509 175.536 56.0312 113.744 774.392 71.3567 542.822 11621 6925.3 16618.2 6.25714 129.587 9064.68 14286.6 17.8871 168.445 187.608 111.549 130.997 9003.85 71.491 3133.92 85.5391 317.526 55.3449 355.739 51.2239 11435.6 inosine 43.3693 367.361 37.21 225.272 957.763 12.229 116.531 197.579 236.221 3807.89 124.737 16.6382 111.57 754.631 213.671 86.9132 29.3838 122.753 32.8683 637.572 939.846 8.47237 240.117 1000.86 1747.42 1997.24 84.3761 3920.31 191.895 698.749 17.4722 254.69 40.023 65.6051 1064.65 250.675 1407.86 3755.8 0 124.159 738.267 169.684 59.3854 219.25 280.671 9.70662 117.478 96.5903 811.228 28.7197 659.759 160.627 133.886 123.987 18.8466 381.686 1700.9 884.016 0 237.957 0 67.4373 145.026 812.084 203.19 234.419 17.171 989.522 459.804 168.419 222.528 1026.82 71.8107 3547.16 296.47 1763.32 770.771 36.8968 270.788 212.679 31.4592 40.5376 922.079 141.918 1405.12 23.9947 205.557 55.9133 766.477 1684.6 9.58555 0 2270.13 128.495 411.564 806.952 1985.88 421.843 56.6489 94.8261 13.7904 135.796 256.46 2285.33 7.8225 50.3646 2298.35 18.2061 56.9608 672.158 102.298 0 1124.59 40.6474 307.254 288.5 31.207 2593.66 196.865 175.562 2819.74 9.49667 3691.16 327.916 196.384 42.792 548.426 458.492 0 186.024 1029.64 85.3642 1941.8 779.153 183.748 423.165 1004.37 169.693 347.769 4118.63 43.3753 32.5723 54.6049 0 57.8048 103.216 99.2774 71.6966 481.82 1677.46 40.2576 9.79938 24.5427 69.3473 932.217 307.292 238.344 152.705 179.791 314.293 436.659 65.8219 308.324 445.731 756.231 3085.07 2731.85 62.4009 140.078 5191.53 69.3573 507.67 36.9702 4263.76 1657.05 1740.69 623.111 269.859 1412.55 3206.43 228.554 408.451 4802.26 1133.86 1223.38 675.175 0 2076.27 200.766 55.3375 110.417 1211.01 2346.87 900.322 394.715 283.891 102.522 2730.26 9.29185 1613.07 242.61 725.839 97.9813 43.7331 421.118 1268.74 3010.48 235.541 558.627 56.3212 2318.75 3335.96 2927.97 160.555 6.22797 97.0379 105.961 472.105 694.729 4206.83 isoleucine 11835.6 470.687 6589.15 674.133 6520.31 11066.6 506.603 1732.88 7210.46 7495.78 6635.44 12471.2 341.285 1018.66 6664.16 8013.02 4682.33 9326.11 8116.38 6977.76 14090.2 7407.26 12626.4 8102.73 17219.3 6360.26 12295.8 14636.2 7413.65 6088.17 12416.8 13242.4 10576.9 10690.9 7992.16 9810.49 6272.53 7709.48 7733.16 9845.85 11180.1 9966.59 3772.53 4378.32 2706.36 5311.57 5245.51 2727.38 8857.89 3022.57 8033.68 1280.75 11870.1 9983.89 5775.34 3043.63 6459.91 6371.83 744.171 2546.89 11869.9 13703.6 13806.2 10143.3 8688.68 18999.4 7154.8 7802.01 18023.7 15938.1 6085.54 2079.9 6884.83 12708.2 9464.2 9888.08 7760.78 2729.41 13147.9 13099.7 8358.07 13472.7 15884.3 9761.94 10682.5 3769.33 3548.11 3705.39 6446.68 7491.41 6681.15 6636.64 12030.7 9325.58 7392.22 18324.9 12221.5 9175.05 5288.03 1666.98 2785.68 2964.89 506.37 301.742 983.315 383.358 464.64 1640.53 337.448 1207.74 242.09 8808.45 481.916 666.853 5055.74 544.14 959.116 6163.58 3392.88 1371.12 350.053 1185.86 324.911 306.756 361.055 1748.14 3621.54 5983.97 3091.43 6141.59 808.262 2884.23 4771.85 7919.78 964.056 4486.73 706.396 10325.9 1180.16 6890.05 7153.79 5948.34 789.86 2379.7 7114.73 1162.48 1572.15 1838.09 484.868 201.293 115.472 3924.05 2523.55 4328.28 3539.96 16436.7 17545.5 10659.7 15243 12942.7 15736.4 14707.1 9136.14 16818.9 19933 18536.8 10627.6 11210.2 8218.67 13245.7 8997.63 15630 9301.91 14079.6 14329.9 13706.8 8300.59 9813.24 4927.84 2842.09 8629.97 8184.77 13224.7 8005.4 15148.2 9707.16 6971.3 7262.76 8316.06 17963 9443.14 14864.5 6834.16 5552.66 7677.04 4270.49 8602.57 17662 12047.4 6705.03 8911.74 9831.81 17494.3 2580.54 7814.56 7938.44 22534.4 13456.3 8042.89 9496.21 5189.46 8209.99 8918.37 8538.1 14745.5 4650.37 13299.1 10591.1 12136.8 6215.41 kynurenic acid 118.376 318.987 32.1472 20.8686 326.273 134.013 85.7157 247.176 32.3804 11.5241 36.0772 283.469 503.404 59.2127 139.937 13.4871 4.13749 161.479 261.103 39.732 12.7027 30.5383 301.239 172.004 219.441 260.198 0 17.6764 177.939 0 151.851 86.3072 135.784 458.267 26.3118 105.684 79.0653 261.182 6.91039 88.568 21.2398 202.393 30.5093 181.143 101.621 3.72041 284.092 171.754 35.3564 154.722 30.7327 164.159 21.1413 53.2875 35.8672 16.837 93.7564 29.6167 88.2614 116.586 65.0214 57.2168 148.706 18.3382 459.197 468.787 73.778 230.257 107.218 7.5751 3.93852 299.2 4.40338 67.7587 19.4745 114.428 27.3228 0 167.765 10.131 51.824 38.0083 11.784 17.4068 113.711 95.8407 0 236.008 235.365 192.793 102.044 0 178.155 216.858 26.6448 62.0911 19.8372 36.3698 269.565 0 239.625 26.9576 63.4616 410.783 51.3676 220.862 306.417 173.156 357.69 369.408 389.026 206.973 21.0971 0 26.6279 576.019 39.042 204.905 6.39001 135.391 297.426 532.898 143.414 9.94515 104.974 174.297 307.208 68.7567 177.581 103.082 185.722 95.0232 85.3221 75.6852 356.402 329.551 22.3406 27.1417 1336.15 169.322 275.22 12.2542 134.163 59.7788 519.676 11.1732 48.2496 515.279 556.122 193.507 585.747 0 117.312 19.8727 140.495 13.0524 189.3 23.0597 139.822 17.8518 99.1609 31.7873 13.0693 31.8657 198.013 305.178 366.178 41.4366 95.1313 121.331 85.806 253.091 119.358 14.0657 196.561 149.405 102.241 15.7489 53.5452 139.787 139.106 0 138.334 294.748 34.6113 96.2736 278.579 68.2593 67.8233 240.786 179.713 235.454 95.7927 105.504 126.352 213.648 185.488 228.994 318.557 36.8575 302.091 14.353 103.801 23.11 168.835 7.1866 80.9493 87.4095 111.126 27.0096 212.075 4.59953 348.932 0 13.4619 347.225 254.08 19.7126 43.3569 10.1276 leucine 16341.2 795.669 11202.6 959.12 8342.9 18339.8 537.714 2806.42 9695.73 11402.7 14945 15845.2 628.168 1703.58 9228.81 11719.4 7552.29 13068 13927.7 10397.3 17051.6 8439.78 15658.8 10779 23013.5 9465.1 17094.4 18905.7 10333.8 8932.73 17527.1 29435.1 13939.7 14555.6 11594.4 13851.4 9882.23 11689.1 10473 14851.7 15921.1 14057.6 12905.2 10465.4 4221.03 5284.79 7710.79 5314.85 16777 4355.08 28559 2642.59 21343.1 16916.5 13344.3 4881.03 17069.1 16503.2 1218.19 5279.32 22408.8 19591.4 17822.8 15109.4 12386.9 27988.1 7194.01 10134.4 36570.4 20889.5 8651.91 3616.86 9108.24 16447 12112.9 24964.3 10308.8 15863.5 21532.4 33865.2 11302.4 22185.8 21183.8 15416.3 22315.4 14570.1 5324.28 6067.85 9532.06 18870.5 10146.4 9651.54 17506.8 12309.1 10240.1 37273.6 18989.1 13935.6 9161.76 5255.76 4454.36 6757 1135.43 310.902 1579.56 854.603 1061.54 4163.67 690.774 2262.96 190.106 17227.7 1135.64 1179.55 7550.89 1381.2 2153.08 7493.61 5679.34 2278.94 110.049 1936.12 497.189 445.134 536.23 2743.62 6769.09 13686.4 4453.11 14152.7 2319.97 4918.9 8967.19 13109.1 1556.66 7593.9 1141.42 15328.3 2965 30570.9 10956.5 8915.67 2182.31 3870.25 11103.7 1773.94 7019.63 3601.87 2147.75 380.97 70.4655 10318 7723.6 12008.1 11616.5 21386.7 24610.6 15311.3 22301.7 17292.8 20458.5 20654.2 14072.2 22592.5 27701.6 26357.5 14263.8 15612.2 11704.2 17871.2 13638.9 21895.8 12789 19502.5 21188.1 19871.1 10885.8 13660.9 7862.27 6169.15 12991.1 12548.1 18194.2 12378.9 21133.1 14765 9963.25 12105.1 12771 25126.2 18807.4 21570.6 10130.1 9937.67 10787 7221.44 16292.5 23826.2 16110 10326.8 16048.9 12937.3 22438.6 4641.72 26315 12476 35556.9 19494.1 12860.8 14503 9489.18 11100.4 14566.3 13516.4 18924.5 6833.71 19849.9 19961.3 18170.9 10058.7 linoleoyl ethanolamide 236.305 44.5468 18.5805 348.772 583.968 1365.51 812.755 103.194 378.905 6227.58 3007.09 966.351 120.775 620.241 352.137 48.2937 80.9931 865.096 376.965 1079.41 406.752 2334.9 109.494 701.884 123.244 702.879 901.204 44.4485 608.664 73.9829 31.6836 900.363 53.1693 1693.3 87.0359 48.1324 380.818 895.124 21.9891 201.154 896.884 147.688 2138.71 3726.88 2847.04 5438.17 200.368 429.572 454.764 3059.53 1531.57 427.318 1493.05 466.571 3052.44 302.394 521.763 2146.13 39.3849 42.5895 617.111 956.059 7530.61 562.026 627.597 235.063 13.8397 39.001 4215.6 4470.79 12172.9 912.395 144.588 181.208 115.103 36.9474 2676.69 1355.28 8892.43 730.181 26.6077 51.9582 43.2656 97.2933 82.3077 6313.22 4165.03 634.447 5622.55 1916.31 2073.95 37.951 463.781 1748.42 801.567 102.001 5218.23 2427.7 4804.23 2896.85 2402.49 1566.41 450.506 147.957 769.039 99.3994 376.201 1905.44 4703.98 7940.69 62.553 2598.03 102.536 150.729 110.68 0 57.6443 5166.62 96.2025 110.458 66.538 74.3665 78.9285 136.988 390.982 654.338 95.5212 119.728 441.823 838.43 2455.16 6955.81 1425.66 7372.3 3680.68 1404.81 2080.14 4601.39 1664.9 275.77 5162.86 73.8039 2549.61 95.1031 792.864 0 163.634 55.681 86.6367 6879.63 0 260.704 275.937 286.86 82.0423 321.332 96.2005 231.526 90.3595 239.011 201.197 153.449 91.4887 182.002 147.245 1598.96 680.044 61.9157 304.517 449.714 290.584 150.299 81.1979 4500.85 258.166 450.083 96.8194 945.277 52.0988 339.221 101.046 121.376 779.003 93.4757 353.805 925.519 315.378 70.7225 414.756 107.58 204.856 189.83 50.097 604.17 436.775 20.4385 2981.23 376.561 244.353 820.948 2534.51 391.945 53.9324 253.191 257.414 1556.27 115.857 534.392 70.4211 0 134.308 10434.4 127.578 0 2963.41 987.334 583.237 1338.17 402.883 983.415 lysine 4469.27 455.466 4553.68 474.641 3747.49 1041.89 739.637 123.909 4116.37 648.192 16849 13471.5 584.4 594.138 6050.56 5526.08 4162.56 7793.38 2441.6 6446.05 5502.82 4034.38 15397.9 11008.4 15372.4 5576.45 11663.7 5313.15 5300.02 2220.61 9458.42 26650.1 8595.95 7344.3 9577.46 7692.19 2894.28 7379.21 5668.09 14209 10462.7 4656.87 9161.62 3325.4 476.074 8134.66 4536.46 1370.49 776.681 266.717 23209.7 345.826 21700.1 10349.9 9875.06 1000.75 11761.5 3358.83 468.879 766.467 22982.2 9957.12 14582.4 8655.06 1211.77 14643.3 3176.19 7245.21 20932.7 10432.3 4282.57 2418.96 768.823 12692.7 5243.61 46244.2 5737.62 5219.33 10038.7 46527.7 2879.28 19354.8 10500.3 7476.7 45566.2 6347.6 4758.38 3184.35 6298.68 18278.1 4651.29 3965.52 11473.2 7522.3 3534.89 61048.8 14551.8 5632.71 17499.7 1205.79 3137.58 1408.02 1098.13 275.671 288.316 338.23 250.661 468.944 226.511 266.909 553.889 191.125 523.444 562.705 1567.87 351.046 248.573 570.222 1008.19 434.302 752.695 535.896 520.093 87.6415 320.881 579.44 1177.5 18170.3 43.2611 1914.93 643.752 4399.53 767.791 924.336 152.343 972.262 333.764 12895.7 754.598 23812.2 11339.5 1378.58 183.284 508.671 18296.4 334.767 2390.29 493.616 395.97 259.269 209.796 1689.35 5167.46 11392.2 10569.7 7411.52 10184.9 4115.56 7429.95 8808.08 10281.6 10748 3134.31 8090.84 18727.3 21875 13910.1 6432.37 6022.23 20359.2 6479.78 22831.8 5900.86 13002.6 17544.3 7385.6 7883.88 5356.18 6419.91 2871.6 3597.94 4020.6 13183.3 12912.1 12251.2 11259.7 5942.47 9051.68 4743.62 13988.1 10712.2 16480.9 8266.23 8644.67 7136.61 1309.38 929.286 18379.9 9630.72 6673.47 5318.41 6863.45 21615 3525.41 11359.7 9994.39 29603.7 10338.1 7224.39 7402.91 7458.59 4231.11 6974.62 2783.71 1043.83 6037.19 18146.5 12319.7 6080.23 4762.75 methionine 4623.54 772.847 2189.46 663.396 2348.35 5451.02 0 964.786 2865.68 2444.95 2424.27 5064.66 347.237 762.894 2401.26 3348.77 1880.11 4217.77 1387.88 2870.94 4707.59 3111.95 5075.9 3332.67 7647.39 3339.2 5780.6 5881.35 3400.32 1932.22 5589.85 1792.57 4291.98 4427.59 3965.27 4989.24 3180.34 4028.01 3077.03 5017.03 4683.5 4844.35 1814.12 1908.87 1369.06 1749.46 2251.22 1142.97 2674.41 1094.72 4710.26 1405.03 5341.89 2329.01 889.052 2071.45 1361.35 3419.85 606.416 2785.57 4722.77 5980.21 5683.53 3957.13 3371.8 7836.9 1769.04 2748.89 6276.53 6339.45 2182.83 1404.63 2435.99 5657.09 3232.27 4140.34 3112.06 1706.32 3505.64 6600.4 2823.33 4859.51 5272.05 3821.79 6175.49 1694.17 1775.19 1676.43 2340.25 1868.8 2302.6 2833.18 4315.43 3619.51 2843.95 8607.02 4810.8 3641.93 1212.19 1416.06 1633.87 626.047 743.133 136.477 662.592 314.172 124.306 0 67.9114 1191.8 112.083 1702.08 804.46 498.541 3109.96 437.909 804.012 3952.83 2360.5 590.901 38.8407 1076.05 248.956 206.491 471.368 1274.83 2285.2 2805.91 94.2896 1958.74 253.111 1249.64 1922.38 4598.32 17.7623 2491.07 546.743 2956.22 796.64 3354.36 2873.56 3301.74 208.121 1582.5 1873.68 651.685 1302.37 1814.71 50.6853 250.689 26.1469 673.197 2150.9 2832.46 2561.48 5772.28 7915.5 3257.32 4976.26 4140.06 5428.75 3609.78 3140.76 6738.74 7494.39 6450.49 3693.39 4891.05 2734.66 5216.55 2287.58 4872.69 2358.6 5654.25 5597.06 4899.26 2978.57 4228.65 2294.94 1446.92 3418.78 2627.5 6251.69 4151.53 6018.97 4041.16 3083.45 3829.4 4177.51 7404.87 3055.97 6132.3 3252.29 1034.69 2911.41 1935.64 3348.18 7811.36 4888.11 3113.54 1825.73 3879.65 7753.83 1126.11 2813.6 3468.02 9742.72 6437.82 4135.1 3512.98 2308.63 3088.87 4276.38 2720.31 4485.73 2427.98 5765.61 2924.65 6004.88 3030.78 methionine sulfoxide 191.942 107.359 429.054 403.676 296.719 246.805 94.8504 317.51 326.4 81.9173 157.831 401.855 207.451 215.305 323.832 147.171 264.063 318.066 160.49 281.689 374.575 471.448 323.84 234.091 380.801 324.11 382.497 495.078 269.975 81.1819 181.604 2874.61 351.954 345.736 170.058 254.988 314.851 186.944 142.966 185.742 203.216 320.503 165.987 298.169 54.8218 46.8117 101.623 122.038 309.832 116.692 308.295 213.28 541.336 81.9003 899.133 352.94 785.623 540.855 142.803 516.003 415.451 488.147 136.774 300.369 1501.89 592.287 331.115 302.142 789.134 639.138 121.639 105.296 230.031 723.349 491.41 1785.07 207.025 92.1062 173.664 1439.01 400.697 401.543 469.147 211.134 470.963 86.2259 67.5323 200.38 197.492 962.219 194.66 188.485 410.443 267.606 158.657 771.145 294.874 385.427 184.16 65.2624 53.9464 311.778 268.231 166.493 359.809 106.643 926.438 2596.92 123.933 314.506 99.207 2990.77 185.428 113.467 825.311 218.108 402.796 663.233 252.056 762.468 126.166 228.251 199.672 223.068 315.281 275.129 896.131 257.473 152.693 906.048 411.776 203.367 266.309 759.563 28.1911 302.106 240.601 607.952 675.786 1275.39 238.692 941.311 809.509 336.919 839.382 133.574 270.593 606.085 302.887 189.451 59.719 26.5407 235.314 223.608 83.192 1339.1 1593.86 1462.16 1486.55 1170.65 2290.92 1661.06 929.303 1956.59 1787.43 1000.6 1243.97 849.913 757.607 620.852 530.321 2021.82 1398.95 1170.85 1847.97 1557.2 526.215 743.192 124.788 255.834 734.043 307.885 1055.23 317.287 1020.86 342.63 174.84 160.291 178.191 656.647 290.882 669.6 291.583 366.297 363.421 287.276 749.167 1096.32 470.207 352.029 190.939 165.397 560.553 140.052 450.197 551.176 602.849 890.215 417.734 366.598 320.841 229.506 167.597 306.654 1411.95 287.5 665.367 1558.02 689.106 316.12 methylpyridonecarboxamide 849.069 663.666 271.314 69.103 678.937 66.3069 148.997 129.54 157.822 138.831 86.2832 44.008 195.379 275.064 565.682 8.43993 205.732 510.631 94.2158 313.818 121.923 23.1057 70.242 799.761 103.79 164.906 823.527 360.952 840.452 12.2788 88.8917 209.388 9.9636 324.042 35.8656 553.557 0 252.476 105.731 299.183 350.759 55.1163 138.973 1204.84 39.8065 42.6683 6.33175 1328.28 107.69 2488.8 124.956 419.791 144.457 1090.9 425.389 420.018 599.208 50.7925 146.75 147.017 196.006 742.193 110.672 226.383 189.8 26.1942 9.44597 21.7711 424.409 187.119 336.637 1535.98 94.7328 152.508 53.3891 197.983 385.853 79.1103 8287.79 45.5247 13.297 167.746 43.9908 235.002 58.7318 549.448 322.24 788.82 472.131 2129 332.722 51.609 106.168 47.7778 323.777 83.0578 354.37 265.036 454.539 166.813 1479.88 204.853 0 168.877 156.287 64.1208 218.228 323.543 94.7372 58.577 6.84299 129.861 79.2391 11.4956 6.57668 38.6376 0 364.586 0 410.183 24.9285 190.762 220.472 23.6675 158.518 4.11576 794.354 60.7184 55.6434 768.928 1042.83 215.391 537.839 54.6616 74.4176 184.077 14.4602 179.268 269.537 396.888 232.131 606.434 128.147 245.885 1667.41 0 444.357 373.967 174.86 205.947 83.7722 449.244 305.89 412.568 223.301 8.28435 35.1521 135.805 77.1451 98.303 9.54163 27.3825 0 13.9716 119.719 224.837 171.858 7.16067 166.139 185.314 11.1261 333.378 12.8358 88.2455 209.593 12.6347 31.0219 83.1732 310.317 45.413 90.3875 20.5912 61.0281 147.987 322.557 148.424 40.984 171.214 142.629 1589.19 488.276 483.196 220.237 213.875 252.285 179.146 175.97 78.2497 118.699 475.259 108.16 179.297 159.519 144.556 1621.78 97.9744 442.933 210.252 160.764 175.83 33.2292 118.084 154.403 50.3896 73.741 171.571 299.417 80.9308 213.307 69.9723 N-Acetylglutamic acid 153.035 185.746 46.6987 138.059 136.593 108.394 111.523 186.232 340.781 19.6692 36.7604 311.884 176.876 122.253 245.622 764.687 416.864 154.972 43.6065 119.638 242.942 304.345 702.435 116.251 1184.32 411.813 539.405 880.278 1083 102.757 593.542 36.2272 875.232 246.013 882.286 499.456 478.721 173.725 651.863 602.001 356.08 1060.67 88.0017 167.019 112.276 76.4463 663.432 111.636 174.458 127.313 10.0002 663.064 291.148 25.6683 96.4381 687.307 97.4271 31.9501 344.278 587.34 300.747 212.769 139.566 98.8577 221.778 359.559 419.382 229.358 183.413 354.365 62.9949 151.529 85.352 239.507 71.0867 53.0732 62.7057 16.533 196.021 23.9644 906.687 181.706 1151.97 42.1918 69.7172 93.6981 193.649 61.8348 91.3571 70.7437 90.1231 711.015 289.189 89.2037 116.928 52.4053 334.284 227.53 561.41 238.741 255.583 37.6565 240.446 69.0842 550.438 176.081 54.1085 540.043 6.94467 99.9248 943.867 110.868 974.746 1580.77 681.106 371.28 872.701 139.31 415.872 934.963 303.852 1317.78 951.019 59.4316 362.144 432.811 103.751 9.07934 9.71953 167.719 645.238 457.205 128.299 29.261 33.0866 34.4302 101.326 116.907 138.347 47.9508 148.997 1631.87 51.3818 412.079 170.578 624.485 118.974 524.252 98.93 120.155 197.288 19.8577 536.374 263.511 1215.22 1518.2 308.979 158.456 788.23 743.061 595.361 810.559 1060.12 559.802 776.066 620.559 410.172 685.466 661.355 282.557 406.538 451.409 1138.93 260.233 191.974 977.467 460.127 164.142 92.7533 47.1855 333.835 798.916 193.128 475.769 262.992 109.872 175.421 104.421 198.302 55.8025 87.5727 511.062 153.665 258.691 114.817 90.4665 95.1671 305.297 391.658 179.612 321.092 227.056 597.64 76.2762 110.38 120.961 283.004 260.22 492.203 148.935 112.139 216.144 95.5388 29.6019 340.176 333.648 383.617 72.1442 406.882 1064.56 N-acetylhistidine 2024.02 183.939 1652.17 412.669 800.962 104.065 168.359 203.646 1083.01 385.655 1209.35 2962.89 326.923 564.199 2163.44 2276.41 353.368 1271.36 3160.19 1203.53 2065.85 209.535 3999.64 36.0446 4007.88 916.814 4746.17 2956.1 1840.77 394.439 2416.67 1646.5 2204.4 3795.01 92.949 277.063 1985.77 2895.72 1613.67 1924.87 3352.25 878.946 953.847 1641.16 284.095 1370.61 1033.51 412.208 914.233 90.4433 3670.49 242.235 3719.11 1549.38 974.147 188.801 281.381 2670.79 111.859 481.68 2153.02 3222.46 1706.07 2881.71 766.044 1479.06 458.585 1396.93 2093.77 3770.56 714.296 657.128 466.368 1368.28 1419.2 5156.91 2017.68 350.434 82.0939 2702.9 562.319 1800.47 2956.04 1620.18 6609.45 1413.83 534.675 342.198 279.713 1061.5 1878.16 957.084 150.372 1361.98 1688.1 8304.09 2786 1304.78 430.784 195.991 1892.8 281.288 451.341 138.018 121.511 114.077 564.47 643.565 255.852 321.994 290.748 730.65 195.176 238.159 479.279 355.725 125.787 358.167 228.281 320.837 445.739 283.015 554.409 87.1344 339.077 165.403 478.868 1888.89 60.1549 51.6664 372.056 450.563 48.8003 686.254 883.04 339.887 162.769 127.398 1107.28 3660.21 596.654 215.471 482.313 160.152 1846.17 467.115 2736.61 281.241 1279.15 400.302 48.5006 1224.05 1114.25 6296.71 1986.91 2950.57 2211.67 1403.48 1932.55 2265.07 3869.58 2513.49 1453.6 2687.5 4037.57 3878.7 2953.71 1362.34 1111.16 5036.19 543.248 4998.3 2107.51 3180.32 3794.2 2125.6 1016.96 1971.24 1330.06 1581.81 406.322 833.087 3341.63 4423.91 4291.64 0 1924.06 1899.78 1835.13 4630.87 2971.63 4592.54 2351.82 1483.98 3420.72 321.995 1829.03 4019.99 2547.2 2325.17 1745.73 2460.59 3322.12 1031.03 3841.31 3143.29 41.8908 2502.5 1634.63 1561.75 2840.64 2383.95 2774.38 1611.09 1170.08 2317.46 4146.95 3466.56 2993.44 1620.99 N-acetyl-L-arginine 79.6174 216.149 17.3843 202.835 195.057 16.6943 356.663 312.084 137.143 110.183 82.7355 93.7138 90.9545 332.918 83.9956 234.304 29.0433 169.593 68.5398 67.5354 54.1497 20.0927 259.342 68.9903 596.117 361.53 446.55 112.192 377.528 165.562 177.308 181.166 205.669 60.1161 423.274 306.265 318.455 147.046 173.804 536.629 337.423 231.735 165.952 365.726 27.6814 321.828 253.093 174.98 174.188 11.6737 36.234 534.08 205.097 129.54 50.8571 611.119 160.838 20.221 79.4503 365.703 64.5641 588.358 43.2425 123.578 205.886 140.175 32.7929 54.5539 169.05 692.878 91.817 725.805 88.4577 281.31 128.61 32.1927 51.8107 38.0466 110.324 24.5233 57.7323 661.392 334.41 16.769 199.618 155.764 198.65 371.57 86.8803 344.307 73.0791 179.946 264.221 84.0114 94.3556 72.7495 115.956 43.4273 48.8087 97.0666 343.684 273.283 200.291 64.8125 206.738 275.906 198.796 326.554 503.342 68.3571 583.955 25.4774 352.575 286.539 753.704 112.398 116.219 416.103 247.196 653.577 296.327 639.831 564.539 198.194 170.963 282.998 51.804 71.8878 53.3029 667.775 98.0852 175.274 429.135 74.9691 51.1589 102.261 15.6295 278.181 220.673 62.7839 423.006 466.293 109.528 242.413 460.421 37.7104 314.991 379.861 99.378 142.694 39.8997 41.0275 449.082 370.715 908.188 204.443 729.985 688.841 185.143 233.834 193.423 103.462 92.5286 314.482 376.869 309.745 159.85 152.586 323.337 530.134 149.52 521.595 132.292 413.897 122.351 243.853 244.619 115.506 39.978 83.9283 66.6137 94.0397 282.854 239.26 255.388 102.46 34.0378 43.7468 51.3504 59.3393 108.998 487.569 87.4856 94.6686 40.7471 18.983 48.4109 763.633 95.4888 95.4565 258.439 81.1705 567.168 27.7716 98.1694 100.82 592.029 144.209 199.688 58.8342 19.9105 137.935 143.63 39.3654 18.2218 106.262 399.652 67.2994 458.3 104.69 N-acetylputrescine 158.416 187.05 1637.66 18960.5 1127.34 2818.28 324.172 16547.3 17173.3 17819.8 27560.9 109.031 119.222 90.6897 3488.44 212.995 189.198 24044.7 22287.5 17321.5 335.805 31577.8 1282.53 3923.75 2187.08 5369.77 305.256 153.891 1319.99 561.473 615.908 1278.73 91.3815 12668.1 688.665 258.58 579.002 4127.82 113.6 1452.44 921.528 403.577 45729.8 53805.1 42426.6 17553.8 345.757 39119.3 11170.3 48590.8 2329.4 214.592 12002.6 17750.8 4577.12 38.47 248.591 27473.2 14.2316 0 330.572 392.532 1286.52 145.053 35101 386.597 34.0499 138.082 2057.1 53.2576 19414.7 25360.7 38781.6 578.892 43268.1 1711.18 6278.13 20629.6 15685.4 4008.67 23.6869 1156.2 363.274 158.704 25925.2 2312.18 21526.6 5201.67 8307.54 1257.67 4508.65 52.0071 730.013 165.849 22058.9 6612.81 22055.9 5984.42 2093.56 24313 3693.92 19499 24.2487 1756.4 33.4061 0 3702.63 156.891 9677.58 16544.9 52.9222 420.446 0 40.0261 46.9054 1208.3 945.431 484.648 7.64365 1336.46 217.928 267.058 9694.97 4426.72 16978.4 26.7422 20.0189 1152.04 3609.96 1941.87 2349.62 3099.9 3759.64 9685.72 812.474 5744.84 15.5466 933.79 28677.9 5403.75 24079 32.6121 14661.7 19.5177 8347.55 9.31561 12417.1 12.9882 3016.89 11444.7 0 15448.8 1949.17 6036.41 131.125 211.03 251.593 48.0369 183.813 1630.68 395.849 70.6857 121.974 186.656 110.286 58.0792 3435.4 162.495 332.197 142.802 73.3817 201.875 89.2824 7060.89 671.734 539.981 823.566 22266.7 2124.73 19302.7 306.155 44.0435 17377.6 99.1836 62.971 7204.35 16.4168 17756.2 19.9748 86.5707 12011.4 5485.14 30.0905 598.977 1626.09 17142.2 6583.99 29667 631.334 26375.8 11149.7 1982.96 112.383 47.764 220.439 34526.7 70.1778 6990.44 218.117 248.24 59.5545 38590.5 375.928 3147.57 18575.1 87.7763 105.97 19209.4 114.582 1495.41 N-acetylspermidine 1247.23 1253.29 232.238 1190.02 1573.34 3673.56 341.387 2023.08 12601.7 4602.86 14216.6 3101.01 594.954 1358.34 4022.3 1265.61 1782.9 5211.81 8805.57 9428.5 188.522 3585.47 5555.95 7479.6 3326.53 21406.8 3993.45 609.102 2054.86 3548.08 2201.31 5451.73 554.945 3971.71 5644.8 2368.42 3173.43 23491.4 1795.5 11589.4 10091.3 2958.46 13435.6 16532.7 4673.91 3475.56 8438.88 313.912 2232.9 2257.12 3839.72 1568.04 2944.04 5751.24 2625.01 756.104 678.515 11933.7 71.5059 557.703 1255.31 1004.65 10916.3 3063.61 5731.75 1265.34 489.374 1740.78 2774.32 2058.19 14017.2 17083.6 2368.85 11608.7 14435.6 1215.34 5127.03 5453.68 9866.18 3249.77 976.502 3281.81 727.062 3148.06 2979.52 1027.82 1590.7 2343.82 9223.53 1244.72 3902.98 2102.71 2281.19 6133.83 5369.56 1312.68 1591.28 1530.84 4405.37 2553.19 20969.5 18910.6 477.689 815.644 307.114 155.707 634.383 386.392 539.203 1174.26 497.509 272.905 178.944 59.2384 1142.15 1052.8 66.0811 209.222 60.5982 390.736 1587.08 1684.61 4743.78 416.396 7961.76 18.5025 410.142 2936.02 560.122 7610.59 812.335 6176.61 5349.41 165.766 84.9044 373.435 152.478 1808.75 662.664 1978.27 16893.1 388.142 308.011 163.529 8051.16 63.8419 3556.38 307.442 1120.64 1045.99 104.659 11555.2 1109.18 2724.09 2183.41 312.137 6735.33 406.26 7552.62 9644.26 1790.44 2923.7 734.058 2779.6 9469.36 4704.35 15465.6 10051.4 10700.6 15634.1 6741.09 17327 982.484 8864.52 8374.49 2496.87 16705.5 9331.26 2192.37 18171.6 5277.5 91.9372 7390.96 16412.4 6538.91 3631.73 9936.2 954.987 8759.97 189.892 1208.55 5668.15 1332.59 2220.3 1680.89 299.947 4631.54 6812.87 2638.42 3370.1 13984.4 12651.7 7080.82 766.475 1191.37 9249.01 1661.26 8588.67 1818.53 422.904 284.35 5060.02 1891.56 3406.69 3331.97 3546.3 3575.95 9434.5 4824.16 21383.3 nicotinic acid 7901.74 4655.84 1151.35 3247.82 6136.1 1161.02 0 7180.64 8092.8 4915.43 6481.65 9927.58 4184.47 5473.3 15841.9 5766.54 3059.89 8046.31 2687.85 3048.62 4204.69 2185.18 11458.2 7218.57 7027 14980 9628.62 6693.63 16285.6 4942.83 6171.55 2091.31 4523.28 10382 11684 8482.28 9390.38 14225.6 7189.85 20233.2 9110.18 10477 4538.66 7074.29 2713.61 5735.03 9372.19 3376.25 1965.99 2786.29 2430.71 8572.29 4496.95 3495.72 1165.31 9901.24 243.948 9198.68 1739.86 7318.15 498.703 5776.46 4813.07 7492.66 6553.81 5131.32 2332.9 5433.34 764.512 4989.19 5116.51 4645.83 2599.32 7251.27 5863.68 3002.02 6860.1 888.197 6125.56 2257.02 5384.94 3993.75 9912.92 780.816 3148.11 404.938 1953.02 2976.25 8231.5 750.571 3822.53 7497.46 6759.7 3744.72 4940.74 2587.05 6424.58 6101.9 1405.92 1295.56 5118.26 4680.07 5517.05 4616.66 2365.89 3952.45 1946.43 434.569 837.766 6174.59 5238.82 397.953 3918.57 7278.74 10286.3 8286.63 3097.9 6893.66 4104.98 11346.5 8342.43 15452.4 9840.1 908.222 8220.16 4013.87 3158.87 952.432 487.462 2831.81 622.373 2872.6 3365.86 2392.84 606.413 2870.19 2476.52 627.4 6266.85 1534.77 9209.66 6147.93 4583.85 1771.84 6512.2 2414.9 1935.04 7533.12 4788.73 4076.16 1224.8 2323.96 8371.14 3774.2 8312.77 6503.56 7872.74 3151.36 5824.21 16307.8 9608.43 4077.7 3604.13 6982.41 7784.88 8905.17 11805.6 10964.2 12915.1 10395.8 3496.12 7982 4532.98 7699.34 12302.6 16396.5 12678 7641.34 4920.94 5222.22 7746.01 1676.51 8716.03 5514.01 4894.23 2717.22 3280.87 3856.09 3966.21 1757.46 4247.67 12074.3 3464.72 470.757 3878.55 1437.76 5306.32 9779.71 4969.87 3670.82 5320.75 9484.23 9308.38 2007.18 8317.23 6034.94 10711.3 11490.1 10257.1 2862.63 2320.38 6729.56 2475.29 3693.06 660.561 14163.6 8384.75 5039.1 7762.59 5658.76 N-methylproline 6624.13 14668.7 12930.9 5168.16 32321 8.40082 0 3782.34 2011.54 16513.9 388.64 3762.26 4303.84 11403.7 7081.25 376.088 11873.8 8641.87 208.992 300.893 4199.43 1280.93 669.546 9902.23 17486.5 1619.48 13074.1 2164.42 4284.19 24311.7 15232.3 170.258 128.248 1104.62 5417.48 646.339 4532.4 5435.9 7053.43 81946.9 21199.4 8528.46 2736.18 17663.4 51.7573 309.262 908.275 17.0275 8.27372 64.7455 287.989 7136.48 512.193 177.821 47.0425 4149.24 18.1555 43.754 4897.05 4180.81 0 2799.43 18190.4 7866.84 16011 25001.1 103.857 1127.19 49.3031 10514.1 168.645 1470.46 2537.04 2780 2180.22 108.254 271.885 1375.9 532.439 32.3992 35.3717 12045.7 201.047 1620.03 183.002 25.6706 103.942 178.723 329.376 18.4148 833.107 20077.9 399.069 32.7365 30279.6 3599.25 1925.36 1467.8 43.2879 12090.5 49.0099 64.6198 56.9615 607.115 116.112 1698.96 190.1 0 79.1851 829.021 37.5852 20.703 871.24 577.477 5657.8 892.431 139.626 1109.63 87.7617 2479.29 12546.6 622.464 16289.8 680.638 162.555 25.8203 94.2124 71.2732 56.3288 27.8601 21.3129 22.7848 22917.8 190.782 15.1794 400.404 1202.74 2322.39 107.086 163.104 0 60.4001 257.762 3618.84 30.3962 12.0646 19.3131 2784.52 180.391 54.4862 15700 74.0241 333.947 23.4588 721.805 153.159 1073.62 14281.2 6407.84 2701.36 684.666 268.545 53.0334 768.38 4702.45 1944.53 1201.59 439.933 20223.3 1646.17 173.894 15443 245.758 809.981 1529.39 323.648 40.7046 586.709 176.404 6030.4 475.122 143.727 102.234 771.559 804.268 94.1144 7293.01 1576.01 2004.23 2251.13 1432.81 1061.58 6708.66 20.888 3791.43 7196.39 7286.57 1276.02 2137.43 1807.98 0 865.011 16326.8 4498.13 275.111 56.6883 594.533 1050.5 42208.2 6188.37 4387.58 1236.11 11660.8 62094.1 16.2385 2648.56 463.891 768.733 18409.2 7287.18 NMMA 6.91623 12.0239 57.1093 0 167.38 157.379 21.1559 36.5152 27.9369 164.281 184.431 107.511 11.5461 8.61796 54.1833 102.784 60.0509 141.787 89.9874 123.286 45.3359 168.974 250.91 74.3444 43.9948 121.866 60.9641 95.6711 57.3052 12.8732 86.652 367.285 95.3702 75.3183 79.547 166.937 35.0928 253.731 167.993 107.809 322.491 80.3947 89.9003 23.2155 139.633 14.04 47.9043 125.733 204.455 96.3495 331.799 29.1868 933.153 249.206 160.527 28.0469 144.313 124.008 18.5521 12.0039 265.13 171.368 122.664 35.927 53.8419 113.178 113.621 119.55 337.255 41.673 45.9532 44.494 151.461 368.782 95.0081 1115.48 350.497 25.0551 211.808 1263.58 31.3389 185.941 23.1945 58.4817 1265.42 97.6783 103.785 163.554 49.1491 164.077 124.468 75.3014 128.967 118.24 36.525 1349.69 148.967 53.6364 229.85 22.116 199.698 105.39 10.2539 0 23.1106 22.8369 29.165 0 39.3754 29.3367 47.202 61.8627 33.9685 30.9148 44.3531 17.3445 11.3845 7.3242 0 26.3251 22.0682 30.9004 24.1419 0 25.616 5.07834 7.58619 214.24 68.682 86.7913 29.8041 31.7292 200.265 12.6708 14.3657 0 0 141.794 14.4864 465.799 202.728 13.642 40.4328 10.1022 225.015 9.94568 90.8595 0 45.9474 13.8771 7.93667 218.147 41.0841 39.7735 35.5341 32.4541 97.5651 57.7236 54.6984 69.8605 199.517 76.1591 24.1264 126.055 180.43 116.982 208.309 139.257 85.054 447.999 90.3449 109.253 125.248 58.1644 188.708 69.3289 138.513 119.832 29.3383 119.792 76.0622 41.9958 64.2078 276.897 40.2248 54.0323 42.6684 123.808 25.0293 59.617 151.814 52.6994 333.467 117.956 69.1861 17.9115 116.05 85.5061 241.439 57.0879 107.048 122.059 113.533 44.7165 45.0132 66.6981 55.115 209.436 10.5039 73.0507 70.8235 13.9261 16.2097 75.8537 26.5953 51.2804 44.6813 191.225 112.074 22.9432 ornithine 42.9918 9.34138 73.1228 13.9901 42.3715 77.1618 129.408 8.23447 63.5227 25.3866 137.944 111.367 54.6793 39.096 79.1635 54.7385 74.3812 40.2667 49.0314 150.212 50.8869 0 164.814 574.133 42.259 114.855 168.393 34.2257 33.5516 78.0219 78.2669 1856.16 45.4444 165.43 67.1831 41.3017 11.6234 126.671 93.9652 228.598 35.037 62.0648 35.3717 14.8103 16.1337 47.9445 90.0328 130.568 18.9868 12.1247 2370.36 24.9176 206.25 156.771 94.8859 199.01 68.8194 111.607 25.4832 21.4559 3821.88 13.0131 131.8 164.998 19.1659 108.984 53.1301 73.8125 1556.98 77.7254 121.546 68.2555 24.5284 99.5757 19.708 4137.22 88.2009 32.2482 185.713 1915.37 67.3996 60.5341 54.6161 74.8344 2011.96 17.0183 24.1137 237.035 81.1573 101.802 37.9882 33.4212 107.763 257.364 34.3467 2705.4 62.9594 47.4088 3272.66 6.39223 144.437 116.812 65.298 33.5542 18.3802 60.2153 22.1303 57.8735 0 12.2978 109.571 226.371 152.513 19.9656 76.0756 6.1938 67.9304 35.502 25.3448 51.3598 58.9952 19.7411 29.8586 3.88785 14.4595 10.0962 19.3664 970.653 10.2566 25.2439 26.0146 137.268 178.987 25.2077 0 17.6483 83.4559 56.1084 29.1648 176.331 19.2088 23.8981 0 54.2343 612.323 15.5576 64.0138 16.0969 74.5925 19.8845 6.42185 655.546 34.1516 47.4101 37.9423 176.768 305.747 86.8324 64.1215 196.911 167.167 158.584 31.3856 214.38 184.485 91.2069 170.618 155.452 240.13 198.717 50.5365 46.3538 82.8831 118.537 491.553 181.769 129.196 114.361 96.7924 45.2789 99.6086 18.9133 115.948 114.145 150.752 17.0898 41.089 65.604 50.5438 244.728 746.777 181.49 98.3958 39.8477 47.9005 35.2349 52.4991 108.291 149.203 63.605 490.602 84.5068 139.768 106.786 163.403 163.308 34.1203 493.11 22.2826 77.1497 60.2512 23.3189 18.58 68.3262 6.18939 170.972 193.571 207.987 106.809 19.0944 pantothenate 1152.2 768.847 263.263 561.158 1136.29 726.716 41.6147 864.794 1730.17 2908.24 828.215 2271.04 544.543 990.059 13045 1265.31 723.026 7395.35 328.46 357.537 842.961 242.483 2306.76 1546.07 2019.76 2938.76 1461.54 1457.6 3195.24 676.312 848.947 461.889 979.478 1583.31 1563.5 1507.67 1707.48 2010.85 1316.17 1467.98 1476.62 1985.29 316.678 1372.34 281.83 3203.61 2465.44 565.974 339.538 230.841 472.9 1107.48 670.352 694.221 180.585 1489.59 407.972 666.885 185.512 600.639 145.523 1184.57 1122.19 1046.21 1109.26 1133.6 312.103 695.097 436.537 954.943 787.268 983.089 617.591 1908.41 624.856 94.9913 599.698 203.701 870.502 235.952 840.586 870.903 2675.93 193.285 639.23 63.52 423.38 1100.27 556.182 148.85 924.04 1083.07 1472.75 674.733 1022.76 450.011 1426.8 1165.72 220.812 220.249 468.579 1124.81 1137.34 348.596 253.783 705.467 115.362 128.538 329.086 573.308 1378.4 66.973 972.365 1031.4 1790.35 1348.96 347.296 1003.38 1014.38 2374.18 1069.53 1882.54 1881.68 255.252 736.721 704.242 842.631 152.927 120.941 333.81 503.505 723.844 156.711 877.139 450.906 631.435 469.142 64.9232 925.434 299.823 940.864 1425.64 737.035 214.608 1161.6 180.981 327.677 1407.6 53.4607 581.178 503.794 436.133 1265.64 750.854 1451.87 1585.06 1486.71 511.873 828.139 2906.74 2300.93 1016.68 584.937 1814.48 1867.05 2225.51 1820.65 1572.68 2824.56 2097.68 420.803 1671.45 1334.85 2027.7 1535.17 2510.15 2152.5 1079.28 616.786 572.293 1408.99 235.728 1426.56 1281.52 1201.65 515.863 535.075 949.548 865.216 450.11 348.156 2038.53 369.156 90.2225 502.67 123.927 279.282 1219.9 431.25 1296.52 800.163 956.914 1277.43 418.472 671.73 427.601 1545.03 1021.15 1334.39 635.034 265.997 1224.62 374.865 332.126 30.1636 1136.17 1137.56 651.942 1740.48 563.609 phenylalanine 15573.7 1524.07 10609.6 1588.02 8677.02 27698.4 623.483 3832.75 9890.12 24858.5 19778.3 16444.1 1567.43 3260.69 9293.86 13516.9 6679.16 13103.4 28577.1 10623.5 18770.2 5290.72 17168.7 12204.6 26358.1 10047.2 18712.5 21246.6 10978.7 11737.4 17714.9 29751.6 13595.4 14541.9 11396.2 13463.5 11556.2 12722.2 10137.4 16801.6 17522.2 14543.9 16795.9 9900.79 4331.81 7778.41 7268 5015.45 22201.6 4564.4 34740 4095.32 25137.9 20271.3 8667.37 6587.9 21223.5 21045 1511.97 7701.96 20416.5 21817.8 32028.3 16356.8 14181.4 30843.9 9686.23 8649.42 38496.1 23390 8337.8 5198.62 8721.83 18134.4 12892.9 25581.4 10989 20435 11971 33415.3 10339.5 24178.1 20879.6 16280.6 24244.4 14749 9356.39 5988.43 11970 18485.5 12150 9356.01 17735.8 12350.7 11065.9 51492.6 20060.1 13881.5 7690.35 11203.3 5052.21 8708.37 1860.37 1198.1 2760.53 1378.22 1940.11 4816.56 2507.46 4622.46 357.023 12604.2 1806.05 1295.04 9595.15 10450.3 3532.68 9534.76 7984.47 3971.92 179.594 3010.24 1048.9 875.674 1987.89 4099.09 8359.07 21112.7 4264.92 12856.3 3287.61 5239.31 13107.7 15564.5 3104.34 8765.8 1655.19 18878.8 7793.76 31691.7 20135.3 10389.3 6755.19 5369.61 10484.9 2294.37 10152 4742.99 3968.59 1847.71 83.1945 10753.2 7488.29 11755.1 11462.7 20311.8 25943.2 14764.2 20740.6 15513.7 22287.1 18834.8 14403.1 22737.6 26831.1 28127 14046.8 14590.4 10804.7 19650 11707.4 21335.7 11651.4 21999.5 21663.9 18704.3 10935.6 17040.8 6908.02 14676.7 10790.3 11486.2 25383.4 12213.4 27013.5 14518.5 9493.62 36539.4 12232.3 28005.2 13934.8 21460.4 10916.6 10902.5 10378.8 6575.82 22621.6 27187.3 15847.2 11922.2 16462.9 14218.9 24768.3 3406.53 41373.2 13839.7 34538.5 19099.9 11615.8 12989.7 9070.61 10404.9 14212.6 10009.1 25156.1 7204.42 21861.2 23921.5 18633.8 10355.7 phytosphingosine 95.1357 83.4831 42.3255 130.468 324.29 690.807 967.102 104.279 633.363 847.373 743.611 295.764 114.739 99.265 557.312 627.789 122.382 1402.25 241.822 206.299 73.5045 189.501 166.59 285.642 163.862 214.178 591.936 47.8972 193.001 318.076 52.2172 91.9969 61.2381 412.636 40.0086 144.382 281.071 990.344 88.849 241.368 264.931 74.9703 353.117 464.549 105.387 1442.45 97.3123 69.6008 440.509 121.976 394.451 37.2694 148.997 607.773 772.427 47.9 278.616 1009.73 57.9444 60.7864 128.833 665.556 288.263 53.2193 541.124 176.174 24.5907 39.0304 265.436 81.2163 390.594 99.7004 149.254 219.162 313.007 40.6778 1573.61 909.674 1887.2 181.074 46.7508 65.1428 60.8416 184.399 60.2974 627.416 207.403 271.84 768.034 472.899 470.359 746.298 215.352 678.295 856.193 100.584 75.5569 46.8451 799.768 431.833 822.972 189.416 95.4072 432.662 253.709 52.7847 446.651 657.134 413.218 506.729 118.426 142.805 80.0409 43.1977 313.884 416.971 45.3922 445.502 49.1921 176.752 146.276 53.6171 601.456 158.008 192.089 30.2991 78.7647 470.685 70.9514 307.611 196.731 487.634 259.561 276.133 214.139 918.811 998.617 223.107 186.744 906.484 768.949 74.4517 124.456 70.0718 167.682 150.778 139.416 36.8265 170.842 368.264 81.3699 299.81 125.232 330.233 109.656 92.4078 108.55 96.5321 40.5501 67.6265 32.8019 43.2292 67.2814 148.345 34.6443 172.093 167.577 15.7092 57.4736 94.5278 58.4829 69.4725 38.7209 579.352 223.041 42.7193 183.051 319.432 70.8891 125.335 36.47 27.699 304.701 70.799 823.17 228.156 64.2247 207.776 542.056 73.7842 28.9909 251.83 158.169 335.786 313.484 84.721 188.934 53.8962 71.1838 531.12 210.147 2357.62 61.8171 87.2608 77.964 304.667 46.9133 118.515 70.1461 188.353 39.4089 803.988 428.74 391.521 38.0968 78.941 89.054 146.686 321.24 323.951 pipecolic acid 1994.12 1555.09 2388.34 1856.53 1047.3 347.493 0 2856.5 1661.36 210.905 501.073 1659.87 2524.22 1707.24 459.927 4765.67 2283.34 633.201 423.515 307.832 4815.41 643.87 1156.31 546.418 2005.12 1354.7 4345.52 2579.14 1505.54 1060.6 2889.42 348.273 232.221 1578.86 3367.5 3342.22 1021.46 608.1 6777.49 2413.36 1459.03 2877.03 100.177 586.825 1085.54 7118.56 662.932 545.716 31.2661 1654.79 103.458 2702.46 249.47 271.605 455.697 4091.42 11.9238 757.319 53.4283 1146.08 54.3166 1792.56 1284.12 2306.9 1680.54 3963.07 26.2694 1865.74 139.597 4861.61 1953.89 271.99 1070.58 701.519 397.459 373.348 696.929 2278.5 307.528 107.387 23.3475 1813.94 1983.28 7684 408.207 13.9013 121.01 173.589 1239.47 79.7044 436.966 3068.34 7600.52 837.327 671.795 603.583 747.846 2684.44 551.617 1037.66 750.972 83.6246 103.322 458.354 54.6494 2217.68 111.245 24.1811 572.653 818.478 2003.67 236.65 4289.63 8600.92 2739.65 1220.97 210.026 1308.49 1412.89 2465.19 1379.32 1940.5 1222.44 536.498 2109.33 92.6851 1390.39 58.8413 173.146 82.9981 154.641 32.9071 11.7119 1535.63 84.7455 2041.93 2022.12 21.6374 711.578 294.541 745.911 5330.67 692.916 5175.7 385.789 831.477 174.927 5296.89 268.975 1850.73 1455.93 231.266 552.506 181.593 882.246 3811.24 4557.47 2700.44 26.479 3123.48 3511.09 46.6278 32.218 3331.78 2075.39 1347.06 1521.1 211.27 2068.73 963.897 41.8182 479.087 25.0088 1989.57 1838.38 69.5759 1429.11 682.033 633.223 280.945 1077.75 13.0846 576.132 1347 1090.32 247.254 1489 1173.07 1384.48 3283.24 536.649 1759.47 1439.33 36.5116 2929.56 1468.59 376.821 1571.33 2683.08 136.92 954.354 834.838 1899.37 2761.72 1316.03 286.272 798.4 2395.04 1677.81 2712.69 7606.03 602.109 1507.36 823.53 109.359 2700.97 1218.96 468.699 1124.28 1972.8 piperine 324.835 320.662 54.7803 1785.49 650.867 6558.83 1568.38 411.666 9866.37 7.51779 57.0016 8910.24 277.604 1397.65 1545.69 52.785 55.441 333.055 239.921 37.3037 1493.18 2953.82 280.254 273.359 1125.19 8959.21 352.899 15.09 202.403 11770 2716.35 541.166 495.626 241.604 1022.66 614.312 745.94 220.132 582.636 46.2055 1321.47 22.9903 54.7186 69.6505 360.001 2293.57 1794.41 396.841 470.589 1055.29 721.092 324.74 37.0326 959.22 245.051 1935.49 393.381 388.614 52.5978 49.6603 363.875 4305.88 4315.75 1067.08 0 152.98 5419.58 122.209 213.456 676.201 10883.9 1247.12 3126.43 5029.89 9648.46 41.2747 3913.62 57.0494 1020.6 227.536 8.36492 704.818 757.809 745.319 177.786 254.868 4010.58 1653.05 184.165 1053.76 2754.85 108.947 1256.64 4767.43 1691.29 1234.28 298.308 137.547 876.836 845.886 82544.1 989.696 3878.75 367.217 177067 709.931 336.501 238.2 19729.9 2826.38 44909.3 4905.39 319.649 271.491 210.943 61.2403 1885.38 231.956 11384 13.5838 2891.3 35.5599 95.5433 4911.3 826.426 1266.83 16279.2 49856.8 469.758 492.986 1893.09 169.6 961.339 768.074 1463.51 401.805 54.1891 34.0283 0 672.8 270.875 9621.1 318.029 2759.38 130.732 15.3987 194.652 2667.77 6819.95 6670.28 64.7217 201.472 2644.24 2033.81 379.296 319.79 14.1081 162.319 58.4775 3884.46 345.366 15196.6 2790.59 57.7352 34.094 1362.87 20803.4 763.16 3872.03 112.77 40.903 38.8511 2348.9 281.568 36.6399 41.8086 28.2691 462.427 11770.2 5057.21 250.243 110.35 1416.51 6200.53 606.537 216.732 29.4291 173.789 1993.41 32.5515 488.859 160.557 5298.63 0 38.399 385.077 143.497 3855.64 457.974 66.19 447.719 436.211 88122.9 125.768 190.082 19896.4 96.5334 1365.31 926.624 88.9611 115.274 166.311 13.2944 44.2589 3311.8 14241.5 1531.07 83.7647 1991.36 881.683 proline 22337.2 1906.09 18155.8 4558.63 9681.54 4327.53 696.106 7053.76 10462.6 6784.19 6572.62 19720.3 3145.84 2976.12 14261.2 22675.6 15968 17615 5863.34 12309.3 21753.1 6915.03 23096.7 17551 28686 7443.29 22609.6 28399.5 15409.2 10062.2 21954.8 12847.7 25037.7 20035.3 19189.7 17988.5 10917.8 5783.8 16563.6 14303.6 20494.1 17935.6 8948.02 7769.91 2835.84 8875.13 12305.3 8585.7 41491.6 8047.58 13149.6 7298.18 22054.1 8931.32 10384.4 9013.57 25800.7 13337 3235.29 6833.13 33794 26348.5 21524 19834.3 19815.2 39661.2 16042.4 13303.8 61271.6 33059.7 8534.38 6296 10445 21916.8 15155 42830.5 19878 16075.1 19584.6 35557 18657.7 24975.1 31932.6 17053.5 38445.6 21722.5 952.847 12173.4 13012.2 30320.1 9855.92 15658.9 21955.7 13300.1 11133.8 43798.8 23036.2 16580.9 25081.7 837.722 4917.58 4282.12 4617.1 2562.56 3881.69 3921.88 2690.11 21585.2 6829.46 8853.52 3093.05 38512.9 5800.29 4256.71 11689.1 2156.56 5669.2 19073.9 9290.4 7127.68 2638.56 4329.02 3248.97 1809.82 3732.41 6212.31 10673.3 5338.26 864.458 17567.4 5371.81 10210.9 11568.1 24788.5 17246.6 12580.9 5904.19 35569.9 7514.57 41314.8 51671.6 18716.8 2421.71 8133.69 17297 3733.54 2987.11 10294.6 4201.22 3555.75 984.822 1263.07 2581.01 1588.76 2570.82 23975.3 13944.2 13478.8 17021.3 21866.8 25962.7 24897.7 21118.8 15929.7 28166.9 24155.1 18693.4 13209.8 15968.5 19465.5 12546.3 28707.7 21623.1 17882.5 18414.4 20409.8 13296.6 10592.1 4736.24 2931.67 14886.5 15986.2 19302.9 12560 16259 9120.82 8120.56 12208.9 7233.22 15329.7 10042.6 19895 7362.37 27792.2 10221 3718.19 5806.96 24635.8 14592 11447 15602.5 12461.9 17236.7 3973.85 9923.11 13213 28341.6 14305.1 8778.83 21124.5 8253.62 10164 12538.9 6824.47 25781.8 7973.48 16762.7 9540.37 14081.7 5106.35 proline betaine 123.504 486.304 2359.17 587.694 500.171 2387.63 62.5047 518.134 3408.88 66320.7 164.789 2966.87 911.808 1255.97 16293.6 1154.79 860.952 204.821 1611.94 1653.12 59.4985 14748.3 11402.5 2121.97 1000.71 2783.58 443.852 498.19 2090.83 23665.3 2109.61 1207.7 1220.08 1314.48 1076.17 690.008 656.263 4816.8 3516.55 1444.82 1894.44 1758.26 868.935 1573.53 730.942 1073.66 850.519 261.825 315.394 687.305 4986.8 555.288 6094.37 4772.32 4129.37 110.975 693.173 1503.04 221.827 202.76 17.2331 1927.55 9790.43 368.732 2172.09 1864.79 367.493 589.635 2339.66 11447.7 3277.97 1434.85 181.513 2015.62 586.441 1589.16 1805.23 3537.15 320.843 1821.6 23.3615 869.12 460.805 23.3979 748.342 2218.89 1351.87 12445.2 2526.23 831.598 1734.88 1160.22 2911.39 120.567 1383.32 804.262 2059.18 2120.76 1149.45 3392.47 1327.11 1572.64 252.924 1216.95 180.014 614.881 291.884 48.3281 906.589 4796.35 8828.41 173.28 5448.69 114.769 65570.9 1919.33 3325.68 347.583 223.224 281.97 2958.04 1755.57 149.323 155.37 2209.7 57.0421 9.43642 2242.47 1568.25 1339.72 2238.71 868.401 169.203 46.2392 68.1021 465.587 10180.7 24491.7 825.669 727.933 39.2693 1063.72 62.8802 79.5116 138.995 56.7681 603.189 1580.69 1945.4 135.251 181.904 57.1337 3483.88 1196.26 514.827 1020.58 3692.97 0 1268.38 7462.19 2217.33 1906.9 0 519.354 15057.6 858.996 3404.37 4777.8 3601.36 515.014 210.453 18545.9 519.266 4097.07 2623.27 921.358 17045 4158.19 1432.32 163.867 3179.37 0 3951.8 5632.63 4993.68 1126.59 174.214 3463.5 856.372 534.328 1934.59 1084.02 1155.41 2381.36 496.289 706.444 1992.76 1100.72 54.5212 2923.3 19.124 686.025 3987.1 2576.61 2862.72 2927.9 574.446 1105.72 23056.6 585.906 1522.63 285.374 1157.1 1927.32 47.5138 410.872 3674.88 3666.84 1698.58 2357.11 putrescine 214.978 19.5963 308.409 335.338 511.117 319.215 117.212 154.091 768.914 1663.54 2059.66 316.499 19.3314 14.0827 341.512 156.455 85.6737 753.319 2541.39 972.299 309.37 2672.49 165.498 379.951 737.681 390.609 122.313 28.6452 301.089 86.3443 353.491 133.023 223.183 807.376 278.046 481.133 517.952 443.759 93.3211 780.71 185.438 441.78 4316.76 3271.07 3022.52 650.601 257.613 1586.29 1327.54 3156.93 403.89 26.9435 1032.27 2159.91 2887.66 24.4202 301.402 2770.65 0 0 42.176 45.5293 993.711 36.4281 428.241 217.641 12.8593 250.282 228.62 118.424 1961.98 1000.2 1741.44 192.795 2921.44 777.021 299.993 791.477 1257.65 888.17 26.4259 193.872 139.197 12.4405 2341.89 1176.43 4144.67 346.445 867.055 255.802 662.248 683.398 199.033 64.2901 764.491 1779.93 459.427 227.117 141.146 1640.84 224.646 1991.79 0 82.2359 0 25.4889 169.494 100.501 413.332 164.086 34.5159 55.4623 0 66.4292 9.38704 246.054 49.5261 0 0 15.4031 26.7363 30.2848 100.295 7.29599 199.132 0 0 656.57 541.765 206.072 541.277 689.624 1355.87 212.398 294.868 46.2405 0 601.33 296.139 591.513 1534.43 12.0181 472.876 18.7645 1907.96 0 3364.97 0 140.266 374.717 31.3377 1394.85 504.92 460.486 180.355 203.245 107.389 183.467 208.064 304.152 254.857 130.592 35.4132 130.075 63.2482 50.5167 364.715 176.508 324.659 168.297 88.4611 284.507 145.499 594.845 281.906 241.37 292.331 1929.46 427.727 2215.65 197.575 58.3551 1546.9 257.87 249.669 234.424 265.653 1845.12 83.4477 71.7611 1207.17 452.717 35.4233 549.29 297.626 579.246 1890.27 726.82 330.646 1572.55 1365.03 208.859 227.645 72.9573 107.938 2244.89 646.932 530.733 1058.07 404.748 141.192 970.281 201.372 463.83 2957.18 75.5086 128.054 2747.71 525.857 456.278 pyridoxamine 1095.56 453.585 821.822 317.297 949.442 18.9829 24.8518 365.762 1194.22 727.124 488.426 1383.26 370.806 678.424 1069.13 1416.18 1228.49 1314.4 656.638 257.461 803.984 199.873 2476.01 647.165 1881.01 1621.28 2759.09 2616.6 1897.59 1626.14 1962.8 96.6336 2403.53 638.483 1978.32 2274.72 964.548 725.881 3605.5 2047.83 1310.11 1688.8 272.207 497.369 144.025 480.129 1407.22 65.3091 54.4652 320.644 211.265 691.591 489.551 599.351 161.43 791.357 18.2958 486.585 331.129 391.028 10.9717 1289.19 791.29 946.66 683.067 1354.27 2373.94 598.933 12.8618 2199.76 263.815 372.697 489.225 872.974 923.477 20.2979 566.458 1128.83 489.537 94.0443 1517.95 920.562 914.513 607.093 165.198 11.6909 96.7719 82.9569 1028.97 78.8005 1071.94 338.994 2619.71 497.351 535.475 207.804 541.41 588.919 9.56549 70.7812 482.516 375.118 714.712 80.963 349.622 188.23 65.6504 31.2856 104.168 227.435 729.618 17.0606 1292.37 1740.08 832.886 1017.28 1023.03 323.788 472.912 402.352 342.142 1207.5 773.294 229.036 495.013 216.15 1045.54 85.8835 51.6577 174.447 136.053 194.099 110.968 237.523 61.0341 119.182 202.999 32.0808 186 147.808 817.203 855.506 136.057 589.433 549.883 188.177 175.235 816.611 109.578 187.819 152.602 81.9563 1144.78 306.177 317.037 1129.07 1038.81 925.514 1672.65 844.55 1024.07 1203.55 735.392 1072.22 665.879 518.133 461.044 574.647 800.826 418.26 586.668 509.246 700.89 483.028 351.9 1289.64 459.483 35.2435 293.931 158.09 270.01 443.597 444.802 914.678 986.501 92.5463 708.723 188.781 505.185 1117.45 127.733 951.972 826.139 32.2551 484.343 64.7365 170.738 933.441 422.748 297.745 414.092 65.324 662.318 180.64 489.924 195.147 456.32 477.123 339.869 1176.2 619.267 685.269 314.253 611.958 0 649.171 368.119 1089.68 981.544 516.672 pyroglutamic acid 1123.42 473.616 749.021 352.548 568.216 427.702 371.953 558.593 969.046 558.604 764.747 1369.57 699.91 332.418 990.054 845.031 253.867 1107.62 1341.63 1679.68 1204.16 319.987 1983.66 1017.73 1604.87 817.986 1896.62 817.533 900.08 416.754 718.41 5043.72 1093.28 1137.77 942.592 749.793 1053.79 1047.03 316.359 1321.15 1908.78 1026.01 1988.21 1565.84 469.525 483.538 281.479 472.992 2225.19 119.58 1880.33 660.715 4866.74 973.975 752.463 973.563 14109.7 1791.34 133.731 261.157 7846.56 1429.93 1656.28 1931.19 2683.31 1391.29 274.093 702.041 7063.03 904.362 598.484 380.936 912 2855.81 1495.31 2101.31 909.907 457.571 1857.65 7505.31 445.51 1895.97 1042.9 1528.59 5420.4 2077.7 184.368 1031.49 1321.78 7726.5 1081.25 525.437 1862.33 1878.85 941.613 7857.29 1332.29 832.988 1593.26 372.392 955.292 369.132 251.599 115.486 693.673 104.835 742.956 1362.1 50.2244 642.243 38.211 2687.94 385.676 268.436 2384.42 381.067 490.667 2046.21 1353.18 287.961 0 207.337 273.178 126.67 35.7805 1142.38 2364.31 840.17 43.7279 1803.9 267.617 1150.57 350.579 659.972 0 2356.32 322.381 7536.97 584.064 7808.11 1285.86 3180.45 88.0675 1323.39 1478.02 561.149 1063.45 1197.75 305.879 114.812 41.4845 274.607 1017.67 1176.36 466.042 946.105 2286.41 1308.04 992.947 830.52 1278.47 549.838 776.939 749.806 696.667 2965.61 1536.8 1163.06 806.25 1841.64 963.102 1587 579.16 1684.76 1209.56 518.033 618.732 2229.09 609.507 681.441 865.964 863.491 2874.39 1272.26 2266.78 1916.94 718.556 1966.26 992.982 2703.85 1607.93 2580.2 1057.59 2215.34 1103.25 661.653 1028.97 3935.31 1464.96 1436.29 845.432 1435.72 2513.07 367.027 1704.5 1455.67 5433.55 2048.41 1288.05 333.199 874.842 1015.02 1001.7 347.711 5914.93 675.658 2506.11 2386.99 1903.53 878.325 serine 481.192 56.6755 422.551 124.29 528.192 184.865 0 175.528 460.745 311.122 468.149 906.2 43.208 94.3506 616.619 483.061 249.429 797.498 389.669 667.599 643.88 231.252 956.072 771.224 882.216 568.695 859.129 487.834 466.486 211.673 528.2 1808.24 644.779 639.258 575.45 600.43 487.304 677.992 361.09 646.581 613.201 577.212 579.977 470.248 193.416 364.914 272.225 290.268 718.971 173.71 812.63 202.644 1458 504.367 1212.34 360.531 975.267 983.943 96.4533 332.497 2013.62 838.148 961.9 515.54 987.274 878.368 208.468 572.904 2717.8 909.73 417.098 211.415 433.859 1161.28 647.598 2493.97 556.604 528.172 762.54 1566.2 358.446 935.807 559.556 449.164 1524.6 593.515 136.02 462.06 552.925 1451.36 462.131 415.796 854.219 485.821 410.911 2894.83 857.948 463.142 195.873 269.835 253.718 244.151 73.561 21.4483 117.12 69.5251 34.9841 28.9376 14.2605 135.271 24.9048 62.4943 123.364 73.8886 744.182 53.7122 112.21 745.245 458.223 93.6435 17.9131 129.732 44.2267 38.8386 50.2883 256.271 481.472 281.632 24.3577 677.686 0 527.361 514.023 706.421 0 531.08 104.496 1622.73 123.568 2028.97 463.5 751.175 24.6491 300.017 1082.47 119.768 537.018 294.573 16.347 34.8447 6.99077 150.035 513.515 568.501 252.773 629.307 1156.61 615.435 748.697 625.063 873.105 819.881 389.114 971.771 1050.48 1027.85 819.529 732.156 450.917 992.44 468.641 1155.6 531.188 967.34 1108.01 662.221 437.923 799.06 374.572 346.101 762.88 366.899 1113.86 711.175 1030.21 950.437 389.056 761.11 476.667 1006.73 645.599 1106.47 514.697 727.302 678.299 366.752 396.016 1527.44 701.395 575.506 376.048 563.874 1069.62 270.585 867.53 744.624 1951.54 900.165 605.7 609.738 524.961 514.678 501.008 484.765 629.663 370.982 1127.29 1020.65 724.117 422.514 sphinganine 3148.15 824.974 1520.63 1313.87 1669 755.964 250.737 3022.72 1433.07 2778.43 1135.64 518.921 2526.47 1750.3 1611.58 1095.55 30767 1252.81 564.141 1135.03 4216.32 764.643 1260.92 1276.79 5220.34 1985.66 6220.41 1279.03 944.449 5167.99 1199.51 229.196 1134.31 1594.8 951.527 5921.41 5032.68 2279.53 3298.12 437.739 1717.86 780.678 146.439 697.651 5705.83 4467.28 579.299 20.1221 1454.39 930.443 850.499 561.588 384.007 924.108 2398.84 1814.24 87.2824 2030.25 2118.77 1707.45 253.821 3750.32 6879 2950.48 1757.53 676.336 612.06 4860.67 555.595 13016.1 3054.09 167.564 8064.02 926 1320.46 478.989 5378.39 4307.08 2014.89 352.761 4889.89 993.689 1810.19 6920.2 978.914 533.294 876.066 362.926 1987.82 697.514 974.001 11312.6 4672.44 1818.36 1419.26 195.088 1173.36 607.786 467.201 974.559 293.089 656.854 621.374 555.042 645.45 699.496 219.543 719.649 713.04 3143.36 1276.78 192.687 1206.27 1132.5 4618.88 14914.7 2042.14 6110.4 1052.79 3298.49 4730.54 1180.59 1151.89 890.508 1827.93 286.272 385.941 186.585 197.006 557.181 244.373 781.794 527.923 5525.84 430.861 644.648 5882.88 821.615 3598.34 309.764 1064.42 846.398 1916.5 749.017 1126.04 566.28 299.471 261.165 418.119 658.74 3050.22 729.251 4393.93 1783.06 1145.64 890.754 5144.16 9415.11 573.317 2358.16 326.744 2651.59 1007.78 2290.52 1214.89 646.956 1316.71 1136.28 4084.13 2662.76 966.731 7776.71 1177.54 2528.63 2092.49 1636.27 885.615 690.033 2254.93 1950.74 2992.25 510.821 2437.66 1168.89 2456.15 1546.17 3205.35 1007.85 3322.31 1205.98 281.209 861.248 581.76 348.315 7735.3 526.407 1789.54 1075.01 8162.7 5102.31 1999.91 4826.63 2518.3 7871.61 1411.09 1765.1 226.099 765.301 9609.5 9313.6 450.891 4007.76 843.748 10731.8 324.014 1783.47 574.667 2135.92 2246.72 2498.81 taurine 22488.2 104.441 4225.86 3981.46 24.4525 11705.9 486.332 7583.43 13508.8 7664.66 8328.28 19624.7 3005.17 101.15 5501.69 39.0611 98.3902 7968.49 3673.88 13389.5 14684.1 2067.9 798.245 1234.31 60.289 2079.83 121.15 95.1682 12998.5 72.1204 64.6587 13509.2 29.9431 1091.77 86.5992 19536.1 7333.24 434.316 69.6741 317.574 15302.8 126.186 4605.71 9042.45 6293.71 14.8305 1176.45 5980.67 6039.04 8340.21 11292.3 316.688 12563.3 6566.12 7178.35 85.5778 16980.7 8266.99 66.2416 44.5585 3839.02 1340.42 11413.1 160.169 118.076 255.79 48.9028 942.26 5761.08 44.0125 11655.5 10878.4 13308 6942.42 4580.06 37116.1 33.0975 13.2435 7766.97 21677.9 48.0267 14821.5 60.2642 655.001 13941.9 2031.43 119.137 13896.9 11989 8020.6 3307.47 81.4648 936.755 14004.3 18210.2 19671.4 11813.9 6705.34 6356.46 13100.7 10187.7 1304.56 141.908 1369.67 41.7942 620.766 1306.69 186.696 5043.12 163.249 49.7713 3303.12 5479.08 185.74 61.4852 183.84 232.227 531.692 22.7016 586.117 68.4311 72.5137 5624.13 1454.26 499.065 20.818 4064.65 5498.24 278.396 6286.45 4151.15 6246.75 11618.4 58.8386 3808.77 1427.67 99.8195 2346.65 993.143 10101.5 9583.16 47.4076 371.274 0 9027.7 30.5248 3140.8 141.951 3300.7 9019.2 133.508 6428.11 1770.28 1917.3 167.848 91.6589 90.8665 23.1293 216.302 177.513 332.536 46.4648 42.0043 190.772 62.7785 13347.1 1591.02 73.7143 275.825 370.445 53.4479 199.531 58.0851 717.497 2772.9 216.061 118.091 7379.06 5867.57 3540.07 187.653 157.65 9271.29 165.356 127.066 13322 6796.4 10077.2 123.301 11980.7 6472.97 2748.5 19078.6 2574.05 4524.1 9331.77 12288.6 13473.7 242.195 6433.61 10998.5 257.726 59.1834 560.921 921.871 233.96 72.9528 1140.17 44.5781 847.241 13800.9 35.2932 17711.8 12.42 2463.99 1268.17 262.32 12648.3 18256.6 11649.2 tetrahydro-beta-carboline-carboxylic acid 67.5133 79.8435 104.544 116.792 52.8764 7.80545 0 43.3252 28.7698 29.4239 26.6203 159.987 54.0252 36.9405 77.399 185.891 197.974 101.135 20.4835 38.8346 66.6782 19.3464 128.528 129.87 127.143 167.945 181.488 238.359 108.485 84.2582 294.606 7.21763 436.171 73.5341 110.399 177.9 56.9485 86.9822 253.903 124.585 113.848 171.947 14.2798 23.9514 18.4171 75.0647 105.014 60.1995 0 29.1841 16.954 183.703 15.1941 16.7221 8.97833 144.308 7.21322 29.4561 122.014 212.679 9.32357 81.266 69.8809 51.8244 59.6809 135.064 155.234 248.965 36.9938 121.472 37.9072 75.4964 30.3748 48.3482 96.0174 0 27.2421 33.4171 27.5974 0 72.8332 114.431 53.5595 80.9403 0 11.2314 47.1697 34.0739 59.6175 8.3079 26.1716 137.602 111.371 74.2387 28.6398 0 22.962 99.3019 36.9796 84.8193 38.7986 18.1884 158.782 45.7702 180.716 138.118 30.3113 0 129.796 70.1326 115.709 121.491 229.747 232.321 108.115 68.4582 11.516 125.78 271.076 124.647 77.1735 256.516 91.237 37.152 53.6043 61.6722 101.065 0 20.1261 15.1575 24.0607 10.605 25.8692 21.192 37.0054 39.5802 43.3142 25.4503 92.0615 5.70759 97.826 212.346 38.551 30.8636 19.0785 82.36 12.2938 221.402 44.4849 51.5392 39.0127 12.0141 38.116 19.8071 68.8058 94.3396 111.315 128.859 344.548 69.0901 184.648 177.718 239.682 210.066 68.5298 47.2434 99.4687 277.011 74.9703 65.2005 168.263 179.048 122.596 73.3239 50.3411 171.385 70.1333 56.822 23.091 14.6869 89.9692 7.39216 33.9835 143.052 67.5719 16.6537 101.82 40.9581 64.4156 410.432 16.3313 53.0016 117.373 0 68.9513 50.5168 74.3842 233.899 120.079 12.7524 19.0979 43.9713 163.258 79.8081 26.7776 40.8365 86.1949 110.974 61.4865 100.629 32.8365 45.328 56.8054 39.042 8.66608 80.7334 46.9848 31.4953 43.7801 58.7346 thiamine 35490.5 2842.03 2790.67 407.506 1566.72 261.972 41.273 611.142 3476.76 37712.7 1572.5 2634.1 1501.32 311.611 81418.9 3415.92 97488.2 17442.5 1266.31 646.191 1990.16 218.273 4683.52 2755.81 4267.48 4019.07 6087.26 3206.51 3651.28 3584.11 3773.54 264.363 4999.72 2006.42 3490.45 11403 2417.47 2172.71 4327.8 5040.12 2776.03 7140.6 733.782 1106.34 1164.04 1631.07 3123.68 1496.85 192.669 1276.8 512.813 2714.09 895.364 1322.49 232.69 2754.74 40.2391 1198.63 1957.27 1122.35 393.472 3515.44 2265.99 1444.66 15346.8 3399.63 7392.83 7.13456 1255.27 4719.64 1622.71 562.229 2009.73 1726.82 1562.29 64.4443 2007.29 1856.73 18065.5 50.1041 114426 2962.99 3364.08 4140.62 383.033 47.2764 9854.02 1773.42 984.138 234.412 989.024 2020.89 18862.7 1157.61 1677.2 224.988 1983.89 3639.95 41277.7 823.573 39005.2 1493.38 3425.89 581.316 1885.36 1561.41 897.726 453.756 151.04 1299.52 2060.82 341.389 4081.75 3597.54 1905.89 3730.14 4557.43 1832.61 3403.3 1437.64 585.901 4550.92 30416.4 628.477 1114.79 1111.78 6042.82 137.718 79.8791 361.223 20077.4 318.48 201.498 1583.54 81.23 408.481 1370.98 86.3438 1393.86 175.397 867.74 5345.72 397.653 4227.88 1084.42 904.419 426.836 1680.75 1031.98 670.126 597.885 1085.29 1610.08 833.638 2756.89 2722.21 3366.41 2987.79 3013.81 1202.92 3727.79 4550.46 4236.39 3003.47 3588.98 2634.41 2188.65 5722.43 3352.1 1867.07 4437.9 2477.91 3802.28 1288.76 1798.72 4177.41 2299.18 1111.58 7092.86 904.649 4316.86 595.837 1858.01 2329.96 1870.08 2009.89 2479.69 2029.49 2099.56 4183.29 840.141 2072.05 2008.48 44.4883 908.982 1190.27 881.412 2018.52 3226.81 557.453 917.525 1554.38 2985.08 2180.41 973.604 1114.27 2562.14 15709.8 178.309 5115.53 1583.74 11925.1 1269.95 19665.5 79.8384 2015.21 2248.52 982.166 2948.05 1306.06 threonine 935.809 54.1277 761.703 61.9329 599.594 231.522 35.0684 371.194 650.339 464.036 762.554 1247.8 45.0587 168.003 696.754 804.574 312.59 1091.97 374.695 875.062 750.581 510.15 1095.55 1332.34 1473.99 773.409 1312.35 920.488 579.088 587.209 1163.8 2129.9 975.11 1056.39 789.92 943.717 580.969 953.926 585.476 934.471 993.795 725.232 806.134 677.105 340.636 689.562 505.947 363.273 842.861 278.013 1607.92 222.196 1786.56 677.898 1131.84 645.777 1811.28 1426.09 121.77 390.194 2617.79 1152.54 1512.66 1170.83 1808.1 1585.76 302.395 863.565 3310.12 1443.32 615.484 366.087 766.552 1408.56 1279.34 2374.42 842.754 935.371 1143.89 1865.01 610.115 1581.38 563.225 1146.29 1793.79 931.877 152.927 571.285 811.313 1820.9 667.424 550.537 1526.32 882.348 650.128 3953.91 1268.64 663.041 2838.84 281.189 337.204 278.494 78.0046 0 145.613 80.8634 54.5181 68.5387 26.0424 232.359 16.9116 74.3156 122.196 93.1672 883.595 56.6907 212.929 889.988 637.857 106.836 20.1316 124.842 35.1488 50.4171 74.3158 529.344 813.016 1487.5 30.3941 1008.49 54.0127 672.426 576.037 1730.63 0 925.25 173.315 2519.19 204.576 2418.69 799.068 1441.49 23.1115 586.066 1653.54 207.227 568.437 295.651 42.6459 65.2116 0 243.912 533.281 728.496 334.285 807.381 1645.95 839.048 1172.5 731.041 1218.6 984.084 942.142 1402.87 1363.72 1121.43 813.712 980.611 665.557 1250.29 764.5 1392.15 719.088 1191.04 1286.16 976.312 678.177 921.971 515.3 373.842 895.458 723.274 1493.88 832.263 1577.45 1600.72 618.923 803.375 724.529 1657.73 807.799 1424.32 768.723 971.12 861.886 471.251 707.027 1895.24 1091.58 642.434 453.24 821.656 1420.02 275.279 883.048 803.567 3470.04 1105.06 760.852 1157.09 607.885 827.134 1126.27 740.223 1011.28 481.025 1372.37 1007.02 1112.63 653.927 threosphingosine 1308.99 1932.04 721.571 732.586 3321.76 4678.2 1466.13 1366.45 2781.01 3385.36 3494.91 782.113 4560.34 3640.95 1876.28 540.057 6827.09 3114.83 183.148 1316.12 1549.66 874.402 818.67 2051.28 2012.96 1998.16 833.138 239.245 635.579 764.176 341.551 1656.26 311.459 1127.49 333.211 4919.72 3492.04 1886.63 493.44 445.208 1026.45 279.813 1626.9 4185.22 3616.83 9162.62 530.406 36.3536 4831.26 3799.05 1387.95 7408.19 1583.74 2248.55 6779.1 583.487 1218.81 8583.17 519.44 726.968 1600.03 3331.32 3383.79 1232.29 670.72 437.502 167.8 1533.35 1163.74 477.399 5276.9 1359.92 6716.85 835.146 838.1 2315.62 21327.5 17066.8 3298.08 356.187 1650.8 336.381 705.95 4901.63 1287.1 3256.04 1120.81 4425.24 3271.42 3818.41 1085.61 18337.4 4281.69 4832.12 2059.64 708.859 1099.97 696.749 1853.94 469.051 2362.14 1818.61 824.854 817.57 169.824 770.389 494.844 6276.88 5011.76 6628.19 631.864 1886.57 414.581 468.164 6689.75 6432.6 1577.67 7054.56 679.871 2824.11 2507.65 276.799 608.916 1426.7 4256.84 179.299 236.652 645.422 999.026 5866.98 2666.06 6492.42 3932.02 13640 1528.52 1726.34 5158.89 6478.15 9592.41 630.462 1537.03 361.505 3268.62 174.123 3965.97 152.507 488.885 141.272 1612.54 1867.04 1280.33 2095.36 2077.77 4037.19 945.133 359.046 6836.85 3833.95 237.298 577.535 113.976 605.116 706.898 3703.53 449.395 390.882 1050.71 329.679 2511.82 4244.47 197.614 2505.86 598.649 6540.49 1807.46 750.765 450.595 986.929 1448.75 1537.24 2007.29 124.151 1065.91 896.679 1177.32 1828 639.527 803.821 1207.94 393.747 393.379 1059.94 196.2 1739.5 5970.59 557.822 1703.21 247.702 3997.95 2755.52 3293.83 6033.11 1075.72 16725.9 4357.64 1838.18 235.814 894.09 1738.12 1138.62 337.708 9990.41 387.754 3210.96 339.574 2583.1 1188.86 4811.77 953.444 2460.53 triethanolamine 215.134 58.8638 348.819 1464.73 33.9602 148.673 2008.32 218.661 54.2071 87.362 46.7256 33.7888 515.197 33.5256 42.9273 32.7643 365.019 18.9126 20.3837 56.9204 16.1718 5.60812 32.1532 24.3825 187.634 119.577 65.3842 31.1283 26.5818 85.8132 111.346 43.6016 19.7752 220.544 103.492 36.077 158.529 25.9397 142.383 18.0273 97.1257 524.451 9.93727 20.0044 71.6251 26.5852 121.851 144.211 319.121 23.7478 27.7709 301.193 16.584 32.3982 49.928 590.651 53.0331 45.1607 218.126 69.1109 33.2505 21.6565 73.3448 0 228.352 28.8009 18.09 195.536 132.549 54.7615 42.4555 20.8989 0 653.485 0 73.2541 25.5345 11.1759 298.09 26.2714 186.712 16.98 79.752 196.51 17.8784 168.943 24.607 144.661 49.3316 66.53 16.352 17.5634 29.8704 26.7932 34.1087 36.7648 71.7436 79.0486 40.6984 158.602 15.1987 16.74 84.2111 434.014 36.1798 1032.21 295.773 864.205 49.2003 303.349 96.4281 628.595 805.345 57.6205 53.5531 62.7509 30.0646 750.702 315.499 59.1515 147.349 96.0979 156.463 14.2735 36.6941 223.015 51.2564 33.3915 142.549 23.5654 292.646 209.04 287.317 181.912 114.83 190.768 63.9768 54.5765 37.8305 45.7412 19.5811 327.23 10368 1085.89 69.3413 30.8788 305.813 70.1915 409.217 55.9018 51.4171 19.6611 98.6679 43.7427 69.8364 20.5506 13.4632 121.499 50.2077 21.6068 26.2867 175.621 63.157 74.9614 39.8367 49.7476 35.609 7.12452 40.2247 40.4191 44.5321 93.6503 82.332 9.10612 77.828 96.1405 22.5674 0 7.52015 26.3724 272.608 66.6462 44.4728 58.9221 49.2101 69.381 51.1066 11.1757 11.6964 26.5367 249.076 23.6614 75.5877 110.87 150.465 10.8152 20.1059 38.2056 13.8537 105.316 25.635 32.9939 24.5975 22.1949 21.1776 342.721 54.0439 35.9949 13.2972 60.8864 83.1428 19.7417 159.39 16.5299 43.0452 58.527 94.1262 42.6251 59.2018 16.4718 trigonelline 5368.35 414.006 67.0933 258.285 172.768 4.7454 326.891 2041.13 1766.44 1759.87 808.889 262.08 227.013 7252.21 5716.84 14.7017 11.6058 1072.24 2661.27 172.877 673.312 1627.91 1494.41 1190.76 1927 766.565 10.6558 855.114 3429.06 363.915 230.74 121.249 25.5826 607.535 37.262 497.607 2345.08 371.996 0 3810.41 535.326 1253.85 8664.27 194.327 1757 87.3954 66.7988 1867.52 170.297 7873.65 85.7862 1344.17 83.4006 110.163 18.6442 68.7114 492.647 89.624 76.2018 0 1714.49 10691.7 1892.21 238.952 1013.05 300.006 616.982 145.572 606.338 768.177 1180.81 70.3587 221.861 3448.61 1369.48 49.0189 1205.27 232.129 1854.75 722.743 13.5808 3375.5 230.11 393.621 440.036 477.449 560.3 441.944 412.473 26248.2 600.858 15.4285 396.048 372.818 3774.47 145.497 1489.18 587.169 83.387 2644.99 27.752 2447.28 25.1205 249.013 112.883 130.647 188.761 4270.07 637.315 63.8676 44.6195 45.6747 20.8598 321.818 208.74 3308.1 20.2109 8.2088 16.8941 954.428 233.514 233.26 762.03 244.471 218.441 86.5251 987.494 28.2755 194.394 49.3073 165.585 944.955 24.3219 74.9308 64.8179 51.4844 13.5413 1012.24 47.1615 3622.16 1504.04 275.503 52.7842 61.1625 28.7251 101.227 334.788 1605.18 752.32 1542.32 254.777 106.539 1796.02 448.735 927.173 27.9298 684.783 12053.8 397.796 30.9504 73.2254 229.648 85.4026 657.805 285.083 2298.49 202.965 66.2366 440.145 4414.81 30.7384 232.495 32.6975 597.774 318.438 41.8153 1913.37 327.932 1396.36 206.182 6129.91 64.6715 895.097 976.267 424.794 5136.99 207.723 136.871 871.242 458.249 1065.35 1878.53 1196.23 110.948 553.938 508.311 176.899 778.877 438.037 1362.78 559.791 4476.74 251.038 2235.8 1731.59 519.969 218.003 172.282 2859.31 611.248 80.0845 1755.15 3392.73 3308.78 21270.7 279.67 90.3422 324.01 182.036 2303.14 trimethylbenzene 110.583 301.062 49.3334 522.618 120.35 220.93 86.857 45.7939 45.4283 244.506 252.753 29.4993 70.2 106.158 30.3631 116.914 28.5655 22.1574 265.172 22.0932 83.6646 199.286 70.5248 31.5783 77.5712 126.563 79.9168 95.629 79.071 221.842 234.241 107.335 182.116 65.9619 94.0695 371.487 419.178 93.8936 104.412 54.6903 39.7533 184.942 116.137 65.2623 107.011 54.4354 74.391 69.8493 15.6503 152.972 25.8177 376.641 227.723 481.959 128.086 89.4482 22.4073 26.0614 212.236 139.634 108.085 62.1585 61.3136 78.3044 277.507 225.509 96.9097 32.7078 17.7494 82.8032 62.4858 94.4796 47.0304 35.5635 43.8782 32.5401 37.3013 33.2071 56.1102 20.5614 76.572 66.5577 38.5519 54.2087 17.1423 12.12 32.2715 31.8835 24.2903 14.4225 37.3701 43.5703 58.1748 48.462 48.5533 9.66449 33.6906 64.8086 33.1525 32.7711 43.1259 170.054 282.535 512.457 137.074 48.8934 52.2168 204.921 100.759 64.5203 126.566 58.1252 208.292 994.1 76.647 622.3 444.179 72.7251 135.588 510.315 167.316 173.853 129.417 33.8917 62.076 62.6488 69.2785 35.2505 339.354 67.0388 0 40.8034 4.76283 44.0897 480.849 42.9685 81.7809 25.3844 103.577 15.9645 43.2995 175.173 63.8412 121.168 34.4313 48.9305 49.5534 105.689 134.429 35.7117 299.055 27.9667 256.908 33.3641 46.4946 199.543 63.3284 419.359 89.708 36.5991 62.5529 115.219 164.506 54.0066 75.4802 82.8592 61.4988 44.2143 135.732 46.6798 463.71 55.676 145.765 60.0191 42.2666 130.521 36.1502 26.0679 32.9151 151.882 88.709 228.262 26.8214 82.5103 100.754 41.6291 30.5673 38.4459 59.9241 39.2339 70.1102 30.4287 47.784 33.7879 97.0454 38.3297 22.5902 62.2056 0 25.6328 25.0485 39.4628 34.2702 31.4625 21.2625 60.3728 52.6735 38.9561 104.014 185.175 40.4108 34.5468 66.0767 138.934 262.747 40.9039 61.5551 68.1739 138.404 121.449 trimethyllysine 244.588 105.54 508.638 153.133 569.729 180.152 1783.17 86.4864 1086.86 3875.81 563.581 1749.23 114.101 67.2075 373.992 527.684 649.01 1004.93 275.891 9430.45 255.966 5417.11 609.928 1490.88 838.17 2614.29 419.418 190.833 895.872 317.032 440.458 4952.35 561.863 957.327 1471.29 637.013 493.969 1250.36 410.114 839.087 1371.64 755.558 1246.82 376.282 282.541 248.065 2008.24 8201.65 4493.76 12215 2584.33 519.143 2242.11 1505.76 3765.16 184.311 2501.86 13123.3 58.0532 317.531 5930.77 3151.62 621.612 440.983 338.945 477.661 458.349 904.305 10106.4 491.86 582.164 7187.68 432.011 1272.52 606.336 4302.63 386.032 792.365 832.245 5011.64 166.048 1432.09 358.698 411.849 3321.89 8970.88 1819.67 210.703 641.38 3255.29 329.408 5926.14 1011.36 706.507 341.8 3206.14 549.144 841.012 11490.3 143.883 806.251 6455.41 89.6052 6316.77 170.744 53.6946 1212.37 1251.81 132.817 3088.71 150.005 5228.54 319.257 76.3778 381.687 95.0879 516.132 194.209 77.4865 80.0694 65.1921 155.165 109.207 38.135 444.308 67.1343 123.072 8738.5 4342.49 959.458 20294.8 9716.2 21679.8 180.228 1535.64 228.928 62.6747 6341.27 153.653 7014.97 11350 218.793 1997.73 140.34 13259.1 71.6345 5806.07 43.1169 90.3434 133.378 58.3827 267.2 5676.94 1620.95 444.482 128.934 1094.71 377.367 381.916 594.007 1374.21 962.01 256.77 1369.83 867.915 863.114 1518.4 1033.8 666.552 9210.58 385.413 672.121 784.275 994.667 612.657 728.368 667.454 635.517 390.737 9133.03 1240.82 606.67 726.908 537.884 463.452 1178.83 244.909 1132.06 181.706 433.488 829.715 400.132 646.347 14514.7 351.421 472.349 3175.66 587.88 457.235 457.523 1294.16 444.457 921.274 572.86 637.126 1048.62 783.733 1357.36 501.074 865.147 234.909 420.773 519.067 494.11 5364.68 344.708 781.34 1444.8 766.242 2648.08 tryptophan 3497.4 278.66 2432.36 325.284 1936.77 551.492 393.24 577.661 1944.41 6058.39 1970.79 2961.49 420.864 545.366 2028.66 2150.11 925.303 3018.65 1292.72 2608.67 3363.24 781.988 2973.13 2741.09 3883.98 2026.36 4223.62 3144.82 2155.1 1369.95 2547.11 6784.79 1416.35 3432.12 1761.83 2269.08 2411.53 2534.7 1637.15 2714.2 3632.05 2324.77 1781.41 2556.79 839.277 1658.58 1242.06 850.286 4286.43 1508.09 5152.07 739.372 4643.4 3336.75 3813.31 1225.8 3565.04 4018.19 321.618 1318.46 5428.37 2846.87 3882.41 2914.82 2796.62 5305.6 1523.31 1723.83 11412 4628.9 1870.87 1780.74 1988.53 3860.31 2720.15 4925.96 2262.07 2961.83 2624.64 6084.92 1432.5 3965.35 2225.39 3586.25 5885.52 3288.95 4711.5 1094.01 1917.55 3182.74 1763.63 1273.73 4478.41 2167.57 2182.11 5630.37 2948 2366.63 12513.9 1213.69 1919.99 660.357 275.28 110.544 437.072 306.017 289.846 1620.7 1249.91 926.976 117.646 6705.07 245.803 294.551 1849.25 493.678 527.732 1789.63 1285.85 769.902 112.647 498.333 306.31 185.05 1893.21 635.425 1593.07 4944.14 211.375 2979.86 220.215 1360.59 5498.34 3095.6 68.0568 4401.03 325.654 5368.05 754.513 6656.91 7504.13 1675.07 584.661 957.431 2842.86 301.3 1423.45 965.71 132.431 300.168 18.7889 1392.37 1794.72 3101.88 3129.58 2982.11 4720.03 3437.56 3562.41 2680.46 4048.31 2947.54 2258.5 4395.92 5078.46 5837.8 2641.16 2370.03 2121.51 4201.25 2211.36 4109.68 1825.69 4240.82 4936.47 3405.24 2368.22 3723.25 1243.51 1040.43 1951.07 1667.55 4436.47 2286.77 6189.61 3021.95 1653.25 2575.17 2699.71 5712.45 3545.15 4430.37 2152.04 3125.21 2251.05 1386.43 1945.63 5808.39 3314.73 3763.98 3880.03 3145.75 4377.9 700.062 3519.99 2977.4 8079.84 3904.24 2059.8 2713.23 1609.75 2174.41 2588.63 1898.01 1224.04 1370.12 4843.07 3618.26 3950.49 1935.27 tthyl hexadecenoate 2089.11 7342.11 340.747 3807.8 7540.73 7618.31 2935.44 1749.69 974.969 6181.79 2117.84 377.184 1858.32 7175.89 660.743 1406.64 735.388 314.579 1278.22 380.731 3043.29 10085 840.465 1230.2 488.614 5645.89 2019.26 1306.46 2248.97 961.771 1121.73 2400.55 6207.03 888.597 1046.09 452.706 5295.54 7259.34 1022.35 1901.97 1660.37 4171.5 5705.46 2764.73 4007.32 3550.94 1408.28 2480.19 1570.35 6488.46 748.163 1301.74 235.125 504.674 5802.54 3378.71 170.209 1074.16 4348.89 2440.18 3448.02 453.827 3382.55 1033.9 1349.77 358.68 4998.07 1311.7 648.674 935.431 2582.85 280.835 2515.99 692.725 2069.98 54.3736 1177.62 4544.86 5481.31 102.054 613.034 3477.4 1724.41 1516.5 116.046 1046.65 5267.37 426.791 640.064 698.537 1658.31 2120.01 6441.63 1994.52 2293.43 678.956 737.241 1011.32 907.633 1248.29 953.15 14196.2 10233.7 1463.76 1565.69 177.911 1508.37 41.0067 5621.72 2551.08 4083.93 2643.01 16224.1 955.879 3944.23 24831.7 5282.66 500.81 5674.35 1374.65 3099.87 6145.46 4639.79 1279.27 1217.83 468.309 3393.79 787.7 1727.22 1919 1213.96 1205.41 478.675 4044.44 91.4253 594.612 860.221 738.912 4204.4 284.85 2034.68 3570.23 1043.15 18122.2 1121.07 2409.43 948.959 1054.16 520.258 2112.61 22419.4 1149.46 1242.9 1230.69 5705 3912.18 844.338 3017.27 6739.58 2732.45 1877.86 5127.32 1071.21 4734.71 3624.95 2666.32 2619.84 1268.67 9001.58 716.453 1466.25 1748.01 7441.79 3136.29 846.689 3771.75 4257.52 1492.76 758.818 10617.4 2154.13 13369.8 629.013 2007.03 5122.7 904.231 2668.85 1405.64 2553.11 955.198 3237 632.333 676.614 567.907 1551.2 6251.79 1087.12 4529.29 1547.23 1026.45 1349.36 1617.56 766.544 839.008 1660.72 2890.14 1514.21 1947.72 3430.42 21828.6 489.358 2609.39 1727.45 21811.3 11362.4 1535.84 1229.83 3561.05 21508.5 3506.15 tyrosine 2597.23 415.725 1633.4 481.283 1610.65 4586.6 76.9979 886.442 2110.3 2043.01 3427.11 2978.76 321.11 713.741 1909.75 2505.92 1247.22 2742.85 4809.88 2036.04 3399.3 379.64 3199.87 2189.9 4927.35 2065.43 3468.15 3915.16 2219.08 1966.49 2967.3 4675.49 2331.88 2752.07 2025.13 2816.41 2181.07 2407.43 1876.53 3070.83 3308.04 2887.07 2634.95 1633.54 358.681 1493.32 1396.05 969.408 4248.88 270.703 5598.74 833.726 3339.6 3679.44 1462.01 1398.97 3171.23 3494.86 312.048 1632.29 94.9621 3742.58 4401.81 2908.97 2151.6 5387.79 1322.16 1800.2 4319.05 4138.4 1615.11 1237.74 1675.58 3816.44 2482.27 4733.22 1817.08 1542.12 2581.39 6207.65 1950.07 3861.07 3671.67 3051.9 4852.5 1425.58 3906.51 1284.9 3192.94 2806.34 2386.38 1843.6 3395.33 2298.13 1774.17 9722.13 3419.22 2566.25 869.449 3754.17 1196.66 537.552 390.477 316.56 464.707 258.335 355.713 945.394 727.653 1281.56 66.4456 359.341 472.446 272.761 1999.71 3146.94 668.539 2221.91 1376.24 766.534 74.8596 522.098 353.183 135.807 632.459 705.694 1522.3 3572.16 704.931 3045.07 542.35 1295.38 2855.31 2925.63 235.991 1904.06 265.306 3325.29 896.928 3708.64 2398.36 2195.68 72.6936 1038.77 1771.96 267.313 2232.66 1137.26 201.949 494.803 10.7864 2285.83 2084.65 3058.26 2855.77 4029.49 6307.21 2961.34 3803.47 3175.3 4287.4 3701.67 2966.2 4395.64 5447.98 5855.01 2840.48 2889.34 2161.49 4517.23 2256.68 4433.25 2183.42 4289.49 4207.07 3761.45 2319.82 2968.63 1537.38 749.07 2119.13 2052.21 5246.27 2505.65 5188.55 2950.97 1775.62 10964.5 2282.25 5754.1 2628.67 4240.71 2172.29 1838.85 2098.97 1301.64 1652.94 5823.72 3247.31 2448.21 2605.73 2592.92 4906.44 706.299 7407 2764.07 7238.99 3467.58 2519.69 2550.24 1659.94 2112.67 2841.77 1843.9 1264.08 1514.03 4025.04 4505.66 3744.15 2219.57 urobilin 205.886 258.947 317.37 37.8104 0 0 0 0 10.5184 0 18.9176 25.7511 2915.87 74.2921 0 23828.6 9194.65 206.265 0 10.2034 348.182 8.69173 5019.93 4784.31 4050.67 27.1952 161.994 21435.6 14130.5 685.54 6491.04 21.2355 11031.2 23.8758 19991.4 2212.77 7515.25 3.14975 8668.51 17687.8 4.02075 3945.68 0 16.1894 0 0 5634.36 0 0 0 0 5490.47 0 86.5151 0 3514.56 0 0 5228.9 14102.9 0 166.638 0 898.499 1.97155 21858 9094.31 1244.11 0 1911.62 7.07718 0 50.8446 9.17335 0 0 0 0 0 0 23826.8 1371.37 11324.5 881.795 0 0 21.9175 0 4.08442 0 61.3353 5124.01 10561.3 0 7.45598 10.2979 12.3434 466.48 0 7.78298 2.77555 0 12472.8 128.857 9349.2 20.1977 29.0694 0 0 2.12071 32294.9 0 7183.39 35537 7874.83 8980.62 6621.72 138.307 18175.1 23819.1 25256.4 17184.4 293.092 575.782 57.7438 5854.9 964.23 0 0 0 0 0 0 8.77377 27.2848 22.7614 38.8408 0 101.929 0 0 14166 863.609 19490 0 233.837 0 3492.38 0 0 15.2805 0 24.2062 145.499 2268.68 24518.1 11813.8 199.939 16453.2 26794.1 23572.4 11078.4 15183.2 12511.1 8420.35 13.3192 19754.7 16325.7 43.0292 7122.19 24533.6 14565.1 6983.24 7.71612 8407.65 18905.7 12473.7 0 506.954 0 616.695 15280.4 1.4109 928.522 59.1213 0 140.876 414.352 65.3662 1164.45 917.377 4621.48 4.94052 0 251.038 4.90837 2.31664 0 47.7143 0 0 7.27973 720.921 971.142 943.368 0 405.772 8489.7 2294.86 12240.7 427.475 0 107.489 2275.56 0 102.301 6.29326 10.2377 244.236 1.59068 urocanic acid 15665.7 230.937 3355.72 323.066 9744.98 2238.46 121.363 808.346 8105.44 7090.65 9777.75 7966.45 91.3571 235.019 6965.15 6507.29 5406.39 3178.19 6009.92 6036.39 2276.22 188.436 8653.74 7435.23 12305.5 5364.2 12655.4 11422.9 10991.6 6380.8 10282 2932.3 12723.2 15941.5 7475.88 11041.9 7855.65 3814.98 8083.21 12090.3 10687.1 15262 8441.09 6069.31 2481.57 4301.82 4336.58 1194.48 3744.85 1653.94 5805.52 1233.49 440.447 9320.77 6090.14 1283.27 549.4 3883.69 834.574 479.88 271.94 6682.12 395.906 9861.45 1507.25 11710.9 3579.41 11072.1 537.027 8753.22 6467.11 2761.92 3335.02 9306.44 9761.81 8099.87 1555.67 5878.34 8185.63 8982.84 10359.4 10171.4 1970.15 11982.3 8864.72 1672.15 486.498 3258.65 8958.08 3062.04 7443.3 6282.58 17364.9 3726.46 12828.7 5176.88 2312.37 11269.7 619.08 657.368 5368.78 6654.62 963.973 27.3827 843.933 263.242 67.922 134.457 13.6588 602.313 275.208 3167.29 605.913 1175.97 5533.35 1122.25 1791.35 3297.49 2121.37 1544.23 90.7915 1015.97 109.033 106.983 103.847 2384.01 2392.86 5446.05 54.048 14740.6 28.1415 5169.34 3291.56 1335.61 142.233 2495.13 477.762 733.971 1389.51 1639.71 7879.96 4042.5 257.174 1298.32 4540.76 1073.99 1035.34 1624.04 89.0371 310.187 67.1381 103.698 7778 9205.11 491.039 18747.4 19974.6 7868.64 9502.99 5390.22 14114.6 12504.9 7191.89 11255.6 24832.4 8991.75 11899.4 13024.1 10772.1 16269.8 7800.45 16248.7 13847.9 8692.34 13252.2 11561.8 12689.6 2512.13 6041.23 171.258 8655.8 11014.8 7655.21 11590.7 5482.35 1186.42 9597.27 19016.2 7281.71 18019.3 6288.16 13521.6 4398.07 268.777 4584.25 4359.59 353.969 12879.2 14025.4 12751.9 4304.15 8259.07 7429.88 5844.91 12085.6 6141.5 18497 6165.11 9372.02 13944.6 10615.1 7690.95 19061.3 5330.34 5.3357 5659.97 17205.4 7431.67 9822.8 3426.59 valine 9555.28 385.239 6625.12 2194 4961.99 19279 1138.52 1717.86 11835.7 12913.7 13052.1 10762 382.861 1186.12 14495.5 8969.33 5190.06 16810.2 14338.8 10723.4 11045.5 11013.6 10302.8 9363.46 16057.6 6794.2 11098.1 12609.8 6916.25 5691.57 12198.4 18465 10192.2 12238.4 5922.47 9625.72 10205.5 9162.98 7115.81 8110.94 10060.3 8483.42 15395 9337.56 4022.11 7533.13 5645.8 30796.8 13824.5 4062.33 25057.5 1680.6 13426 24042.6 19203 2488.87 6969.46 15113.5 747.815 1907.97 11409.7 11944.3 10485.8 8607.62 7818.28 19465.2 5454.35 6706.71 21439.7 13946.4 5129.56 14056.7 5870.78 11670.6 9908.18 12177.2 6525.84 10681.6 21892.1 14081.5 7567.71 13768.8 13339.1 9377.52 20072.3 6591.16 7357.2 5737.55 8839.89 8766.09 7886.32 6104.48 10815.8 7970.66 6448.91 24973.6 12028.2 9393.27 9193.64 3776.09 6848.1 18703 614.731 11240.1 1139.32 1102.31 3568.17 1874.86 2106.04 3160.33 249.317 15968.5 552.342 653.016 4218.65 1115.45 1314.25 3951.39 2295.62 1994.9 220.961 934.425 10665.4 417.816 1423.95 1803.86 3094.7 20069 12692.3 11457.7 9210.15 18430.5 8553.82 6420.66 2487.11 8102.81 633.54 9124.48 1680.99 15203.2 21677.6 6377.92 5482.64 2302.99 31298.7 917.793 20440.1 1765.3 13127 7674.58 80.2505 11721.3 3807.05 4690.47 3351.2 12545 14156.4 9178.89 13602.5 11122.9 14170 14732.1 10406.9 14011.2 16447.8 15319.2 10649.6 9685.16 7065.83 10596.3 7832.38 14123.3 9221.97 13519.9 12070.1 11102 7362.16 11925 4169.94 10356.2 6845.44 8028.61 30407.9 6556.88 13358.1 30142.1 6193.15 11704.2 5887.34 13907.8 10751.4 13011.8 6513.41 5118.56 7706.36 4703.24 26371.1 15854.6 10568.4 6020.3 15748.5 8074.66 14148.4 2460.67 16847.6 7055.3 19616.5 10064.5 6425.71 8507.07 5679.62 8601.87 7350.59 8055.58 23738 3959.79 11804.4 32476.5 10611.3 15125.8 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name rtimes quantified m/z Adduct Feature Method HMDB 1-methylguanine 5.2 166.0718 [M+H]+ HILIC-pos_Cluster_0245 HILIC-pos HMDB03282 1-methylnicotinamide 8.14 137.0706 [M+H]+ HILIC-pos_Cluster_0110 HILIC-pos HMDB00699 2-deoxyadenosine 5.14 252.108 [M+H]+ HILIC-pos_Cluster_0728 HILIC-pos HMDB00101 2-hydroxyphenethylamine 6.22 138.0909 [M+H]+ HILIC-pos_Cluster_0114 HILIC-pos HMDB01065 3-methylhistidine 9.83 170.0918 [M+H]+ HILIC-pos_Cluster_0272 HILIC-pos HMDB00479 3-methylxanthine 3.28 167.0558 [M+H]+ HILIC-pos_Cluster_0254 HILIC-pos HMDB01886 4-guanidinobutanoic acid 7.21 146.092 [M+H]+ HILIC-pos_Cluster_0150 HILIC-pos HMDB03464 4-hydroxy-3-methylacetophenone 1.7 151.0749 [M+H]+ HILIC-pos_Cluster_0177 HILIC-pos HMDB59824 5-acetylamino-6-amino-3-methyluracil 5.22 199.082 [M+H]+ HILIC-pos_Cluster_0422 HILIC-pos HMDB04400 5alpha-Cholestanol 1.7 371.3658 [M-H2O+H]+ HILIC-pos_Cluster_1370 HILIC-pos HMDB00908 7-methylguanine 5.69 166.0718 [M+H]+ HILIC-pos_Cluster_0246 HILIC-pos HMDB00897 8-hydroxy-deoxyguanosine 5.25 284.098 [M+H]+ HILIC-pos_Cluster_0914 HILIC-pos HMDB03333 acetylcholine 7.67 146.117 [M+H]+ HILIC-pos_Cluster_0152 HILIC-pos HMDB00895 ADMA 9.69 203.1497 [M+H]+ HILIC-pos_Cluster_0447 HILIC-pos HMDB01539 ADMA/SDMA 9.58 203.1495 [M+H]+ HILIC-pos_Cluster_0446 HILIC-pos HMDB01539 alanine 7.8 90.0553 [M+H]+ HILIC-pos_Cluster_0008 HILIC-pos HMDB00161 anserine 10.47 241.1285 [M+H]+ HILIC-pos_Cluster_0667 HILIC-pos HMDB00194 arginine 9.14 175.1185 [M+H]+ HILIC-pos_Cluster_0295 HILIC-pos HMDB00517 asparagine 7.93 133.0604 [M+H]+ HILIC-pos_Cluster_0099 HILIC-pos HMDB00168 atenolol 6.74 267.1691 [M+H]+ HILIC-pos_Cluster_0817 HILIC-pos HMDB01924 beta-alanine 7.96 90.0552 [M+H]+ HILIC-pos_Cluster_0009 HILIC-pos HMDB00056 betaine 8.95 118.086 [M+H]+ HILIC-pos_Cluster_0048 HILIC-pos HMDB00043 bilirubin 1.64 585.2676 [M+H]+ HILIC-pos_Cluster_2052 HILIC-pos HMDB00054 butyrobetaine 8.68 146.117 [M+H]+ HILIC-pos_Cluster_0151 HILIC-pos HMDB01161 C14 carnitine 6.68 372.309 [M+H]+ HILIC-pos_Cluster_1374 HILIC-pos HMDB05066 C16 carnitine 6.56 400.3403 [M+H]+ HILIC-pos_Cluster_1486 HILIC-pos HMDB00222 C16:0 LPE 6.26 454.291 [M+H]+ HILIC-pos_Cluster_1684 HILIC-pos HMDB11503 C16:0 SM 7.13 703.5715 [M+H]+ HILIC-pos_Cluster_2293 HILIC-pos HMDB10169 C16:1 LPC plasmalogen 7.53 480.3428 [M+H]+ HILIC-pos_Cluster_1773 HILIC-pos HMDB10407 C18 carnitine 6.46 428.3717 [M+H]+ HILIC-pos_Cluster_1593 HILIC-pos HMDB00848 C18:0 LPC 7.57 524.369 [M+H]+ HILIC-pos_Cluster_1899 HILIC-pos HMDB10384 C18:1 carnitine 6.48 426.3559 [M+H]+ HILIC-pos_Cluster_1586 HILIC-pos HMDB05065 C18:1 LPC 7.62 522.3534 [M+H]+ HILIC-pos_Cluster_1893 HILIC-pos HMDB02815 C18:1 LPC plasmalogen 7.74 508.374 [M+H]+ HILIC-pos_Cluster_1855 HILIC-pos HMDB13122 C18:2 carnitine 6.52 424.3404 [M+H]+ HILIC-pos_Cluster_1580 HILIC-pos HMDB06469 C2 carnitine 8.59 204.1223 [M+H]+ HILIC-pos_Cluster_0453 HILIC-pos HMDB00201 C20 carnitine 6.36 456.4028 [M+H]+ HILIC-pos_Cluster_1691 HILIC-pos HMDB06460 C20:4 carnitine 6.22 448.3402 [M+Na]+ HILIC-pos_Cluster_1673 HILIC-pos NA C36:2 PC 6.49 786.5963 [M+H]+ HILIC-pos_Cluster_2372 HILIC-pos HMDB08039 C3-DC-CH3 carnitine 8.5 262.1275 [M+H]+ HILIC-pos_Cluster_0790 HILIC-pos HMDB13133 C4 carnitine 7.89 232.1534 [M+H]+ HILIC-pos_Cluster_0625 HILIC-pos HMDB02013 caffeine 2.82 195.0872 [M+H]+ HILIC-pos_Cluster_0405 HILIC-pos HMDB01847 carnitine 8.76 162.1119 [M+H]+ HILIC-pos_Cluster_0230 HILIC-pos HMDB00062 carnosine 9.3 227.1131 [M+H]+ HILIC-pos_Cluster_0590 HILIC-pos HMDB00033 choline 8.17 104.107 [M+H]+ HILIC-pos_Cluster_0022 HILIC-pos HMDB00097 citrulline 8.36 176.1022 [M+H]+ HILIC-pos_Cluster_0306 HILIC-pos HMDB00904 creatine 8.3 132.0763 [M+H]+ HILIC-pos_Cluster_0090 HILIC-pos HMDB00064 creatinine 6.42 114.0662 [M+H]+ HILIC-pos_Cluster_0036 HILIC-pos HMDB00562 cytosine 6.12 112.0505 [M+H]+ HILIC-pos_Cluster_0032 HILIC-pos HMDB00630 deoxyinosine 4.98 253.0923 [M+H]+ HILIC-pos_Cluster_0734 HILIC-pos HMDB00071 diacetylspermine 10.2 287.2429 [M+H]+ HILIC-pos_Cluster_0936 HILIC-pos HMDB41876 didanosine 4.71 237.0974 [M+H]+ HILIC-pos_Cluster_0637 HILIC-pos HMDB15037 dimethyllysine 10.22 175.1437 [M+H]+ HILIC-pos_Cluster_0298 HILIC-pos HMDB13287 geranyl acetoacetate 1.75 239.1633 [M+H]+ HILIC-pos_Cluster_0657 HILIC-pos HMDB38256 glutamate 7.61 148.0598 [M+H]+ HILIC-pos_Cluster_0160 HILIC-pos HMDB00148 glutamine 8.05 147.0759 [M+H]+ HILIC-pos_Cluster_0156 HILIC-pos HMDB00641 Harman 6.25 183.091 [M+H]+ HILIC-pos_Cluster_0340 HILIC-pos HMDB35196 histamine 9.12 112.0869 [M+H]+ HILIC-pos_Cluster_0033 HILIC-pos HMDB00870 hydroxyproline 7.89 132.0651 [M+H]+ HILIC-pos_Cluster_0089 HILIC-pos HMDB00725 hypoxanthine 4.83 137.0453 [M+H]+ HILIC-pos_Cluster_0108 HILIC-pos HMDB00157 imidazole propionate 7.39 141.0652 [M+H]+ HILIC-pos_Cluster_0121 HILIC-pos HMDB02271 inosine 4.86 269.087 [M+H]+ HILIC-pos_Cluster_0822 HILIC-pos HMDB00195 isoleucine 7.04 132.1016 [M+H]+ HILIC-pos_Cluster_0092 HILIC-pos HMDB00172 kynurenic acid 5.22 190.0492 [M+H]+ HILIC-pos_Cluster_0383 HILIC-pos HMDB00715 leucine 6.91 132.1015 [M+H]+ HILIC-pos_Cluster_0091 HILIC-pos HMDB00687 linoleoyl ethanolamide 1.94 324.2884 [M+H]+ HILIC-pos_Cluster_1148 HILIC-pos HMDB12252 lysine 9.37 147.1125 [M+H]+ HILIC-pos_Cluster_0157 HILIC-pos HMDB00182 methionine 7 150.0577 [M+H]+ HILIC-pos_Cluster_0167 HILIC-pos HMDB00696 methionine sulfoxide 8.62 166.0528 [M+H]+ HILIC-pos_Cluster_0244 HILIC-pos HMDB02005 methylpyridonecarboxamide 4.25 153.0653 [M+H]+ HILIC-pos_Cluster_0191 HILIC-pos HMDB04193 N-Acetylglutamic acid 4.51 190.0705 [M+H]+ HILIC-pos_Cluster_0384 HILIC-pos HMDB01138 N-acetylhistidine 8.36 198.0844 [M+H]+ HILIC-pos_Cluster_0419 HILIC-pos HMDB32055 N-acetyl-L-arginine 8.12 217.1287 [M+H]+ HILIC-pos_Cluster_0524 HILIC-pos HMDB04620 N-acetylputrescine 7.83 131.1176 [M+H]+ HILIC-pos_Cluster_0086 HILIC-pos HMDB02064 N-acetylspermidine 9.71 188.1751 [M+H]+ HILIC-pos_Cluster_0374 HILIC-pos HMDB01276 nicotinic acid 3.65 124.0392 [M+H]+ HILIC-pos_Cluster_0062 HILIC-pos HMDB01488 N-methylproline 8.57 130.086 [M+H]+ HILIC-pos_Cluster_0082 HILIC-pos NA NMMA 9.34 189.1339 [M+H]+ HILIC-pos_Cluster_0378 HILIC-pos HMDB29416 ornithine 9.28 133.0968 [M+H]+ HILIC-pos_Cluster_0100 HILIC-pos HMDB00214 pantothenate 3.03 220.1171 [M+H]+ HILIC-pos_Cluster_0540 HILIC-pos HMDB00210 phenylalanine 6.66 166.0859 [M+H]+ HILIC-pos_Cluster_0248 HILIC-pos HMDB00159 phytosphingosine 5.81 318.299 [M+H]+ HILIC-pos_Cluster_1113 HILIC-pos HMDB04610 pipecolic acid 7.93 130.086 [M+H]+ HILIC-pos_Cluster_0081 HILIC-pos HMDB00716 piperine 1.89 286.1428 [M+H]+ HILIC-pos_Cluster_0927 HILIC-pos HMDB29377 proline 8.07 116.0705 [M+H]+ HILIC-pos_Cluster_0041 HILIC-pos HMDB00162 proline betaine 9.17 144.1013 [M+H]+ HILIC-pos_Cluster_0134 HILIC-pos HMDB04827 putrescine 9.29 89.1077 [M+H]+ HILIC-pos_Cluster_0007 HILIC-pos HMDB01414 pyridoxamine 9.03 169.0966 [M+H]+ HILIC-pos_Cluster_0268 HILIC-pos HMDB01431 pyroglutamic acid 8.04 130.0495 [M+H]+ HILIC-pos_Cluster_0079 HILIC-pos HMDB00267 serine 7.68 106.0499 [M+H]+ HILIC-pos_Cluster_0024 HILIC-pos HMDB00187 sphinganine 5.71 302.3038 [M+H]+ HILIC-pos_Cluster_1017 HILIC-pos HMDB00269 taurine 6.1 126.0218 [M+H]+ HILIC-pos_Cluster_0066 HILIC-pos HMDB00251 tetrahydro-beta-carboline-carboxylic acid 6.36 217.0962 [M+H]+ HILIC-pos_Cluster_0521 HILIC-pos HMDB35665 thiamine 9.5 265.1105 [M]+ HILIC-pos_Cluster_0797 HILIC-pos HMDB00235 threonine 7.6 120.0655 [M+H]+ HILIC-pos_Cluster_0049 HILIC-pos HMDB00167 threosphingosine 5.68 300.2883 [M+H]+ HILIC-pos_Cluster_0998 HILIC-pos N/A triethanolamine 7.64 150.1119 [M+H]+ HILIC-pos_Cluster_0172 HILIC-pos HMDB32538 trigonelline 8.85 138.0546 [M+H]+ HILIC-pos_Cluster_0113 HILIC-pos HMDB00875 trimethylbenzene 1.66 121.101 [M+H]+ HILIC-pos_Cluster_0054 HILIC-pos HMDB13733 trimethyllysine 11.17 189.1589 [M+H]+ HILIC-pos_Cluster_0379 HILIC-pos HMDB01325 tryptophan 6.45 205.0963 [M+H]+ HILIC-pos_Cluster_0455 HILIC-pos HMDB00929 tthyl hexadecenoate 1.68 283.262 [M+H]+ HILIC-pos_Cluster_0913 HILIC-pos HMDB59871 tyrosine 6.78 182.0807 [M+H]+ HILIC-pos_Cluster_0333 HILIC-pos HMDB00158 urobilin 6.42 595.3462 [M+H]+ HILIC-pos_Cluster_2093 HILIC-pos HMDB04161 urocanic acid 4.5 139.0499 [M+H]+ HILIC-pos_Cluster_0116 HILIC-pos HMDB00301 valine 7.36 118.0861 [M+H]+ HILIC-pos_Cluster_0046 HILIC-pos HMDB00883 METABOLITES_END #END