#METABOLOMICS WORKBENCH jravilap_20190610_065934_mwtab.txt DATATRACK_ID:1734 STUDY_ID:ST001192 ANALYSIS_ID:AN001984 PROJECT_ID:PR000804 VERSION 1 CREATED_ON June 12, 2019, 10:02 pm #PROJECT PR:PROJECT_TITLE A large library of gut bacterial isolates paired with longitudinal multiomics PR:PROJECT_TITLE data enables mechanistic microbiome studies PR:PROJECT_TYPE Metabolite profiling of human stool from a healthy cohort PR:PROJECT_SUMMARY Here, we present the Broad Institute-OpenBiome Microbiome Library (BIO-ML), a PR:PROJECT_SUMMARY comprehensive collection of 7,758 gut bacterial isolates with 3,632 paired PR:PROJECT_SUMMARY genome sequences, and densely sampled multi-omic time series from many PR:PROJECT_SUMMARY individual humans. Our longitudinal data reveal (1) that microbial species PR:PROJECT_SUMMARY maintain stable population sizes within and across humans, (2) that commonly PR:PROJECT_SUMMARY used ‘omic survey methods are more reliable when using averages over multiple PR:PROJECT_SUMMARY days of sampling, (3) that variation of gut metabolites within people over time PR:PROJECT_SUMMARY is driven by amino acid levels, while differences across people are driven by PR:PROJECT_SUMMARY differences in bile acids, and (4) that functional evolution and genomic PR:PROJECT_SUMMARY diversification can be used to infer eco-evolutionary dynamics and in vivo PR:PROJECT_SUMMARY selection pressures for strains within individual people. The BIO-ML is a unique PR:PROJECT_SUMMARY resource that will enable hypothesis-driven microbiome research and the rational PR:PROJECT_SUMMARY design of microbial therapeutics. PR:INSTITUTE Broad Institute of MIT and Harvard PR:DEPARTMENT Metabolomics Platform PR:LAST_NAME Avila PR:FIRST_NAME Julian PR:ADDRESS 415 Main Street, Rm 7175, Cambridge, MA, 02142, USA PR:EMAIL jravilap@broadinstitute.org PR:PHONE 6177148264 PR:CONTRIBUTORS Mathilde Poyet, Mathieu Groussin, Sean M Gibbons, Julian Avila-Pacheco, Xiaogang PR:CONTRIBUTORS Jiang, Sean M Kearney, Allison R Perrotta, Shijie Zhao, Tammi Lieberman, P K PR:CONTRIBUTORS Swanson, Mark Smith, Shane Roesemann, Jessica E Alexander, Scott A. Rich, PR:CONTRIBUTORS Jonathan Livny, Hera Vlamakis, Clary Clish, Kevin Bullock, Amy Deik, Justin PR:CONTRIBUTORS Scott, Kerry Pierce, Ramnik Xavier, Eric J Alm #STUDY ST:STUDY_TITLE A library of human gut bacterial isolates paired with longitudinal multiomics ST:STUDY_TITLE data enables mechanistic microbiome research ST:STUDY_TYPE Stool metabolite profiling ST:STUDY_SUMMARY Fecal microbiota transplantation (FMT) is used in the treatment of ST:STUDY_SUMMARY microbiome-associated diseases such as Clostridium difficile infections. In ST:STUDY_SUMMARY order to develop synthetic therapeutics and customized disease treatments we ST:STUDY_SUMMARY will need to understand the bacterial communities in the stool samples used in ST:STUDY_SUMMARY such treatments. For this purpose, a microbiome library was generated using ST:STUDY_SUMMARY human stool obtained from healthy human FMT recruited by OpenBiome, a non-profit ST:STUDY_SUMMARY organization that provides fecal microbiome therapeutics. In addition to ST:STUDY_SUMMARY characterizing the bacterial populations and obtaining bacterial isolates from ST:STUDY_SUMMARY FMT samples, we conducted metabolite profiling with the goal of: (1) generating ST:STUDY_SUMMARY a library of metabolites in FMT samples, (2) Identifying metabolites associated ST:STUDY_SUMMARY with defined bacterial populations, and (3) identifying microbial metabolites ST:STUDY_SUMMARY with immunoregulatory functions. We conducted metabolite profiling on a subset ST:STUDY_SUMMARY consisting of 180 stool samples from 84 donors using four nontargeted liquid ST:STUDY_SUMMARY chromatography mass spectrometry (LC-MS) methods. Generated data were processed, ST:STUDY_SUMMARY isotopes removed, and adducts and fragments clustered. The identity of known ST:STUDY_SUMMARY metabolites was determined based on matching retention times of neat standards ST:STUDY_SUMMARY run in parallel with the study. ST:INSTITUTE Broad Institute of MIT and Harvard ST:LAST_NAME Avila ST:FIRST_NAME Julian ST:ADDRESS 415 Main Street ST:EMAIL jravilap@broadinstitute.org ST:PHONE 617-714-8264 ST:TOTAL_SUBJECTS 84 #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 aa aa-0163 Diet:- Time Point=0163; Age=31; Sex=M; Ht_in=73; Wt_lbs=188; BMI=24.8; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ab ab-0140 Diet:- Time Point=0140; Age=32; Sex=M; Ht_in=--; Wt_lbs=--; BMI=--; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ac ac-0002 Diet:- Time Point=0002; Age=32; Sex=F; Ht_in=63; Wt_lbs=114.4; BMI=19.5; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ad ad-0002 Diet:- Time Point=0002; Age=22; Sex=M; Ht_in=71; Wt_lbs=155; BMI=21.8; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ad ad-0005 Diet:- Time Point=0005; Age=22; Sex=M; Ht_in=71; Wt_lbs=155; BMI=21.8; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ae ae-0001 Diet:Omnivore Time Point=0001; Age=22; Sex=M; Ht_in=73; Wt_lbs=195; BMI=26; WaistCirc_in=--; Diet_notes=Avoids some fruits SUBJECT_SAMPLE_FACTORS ae ae-0003 Diet:Omnivore Time Point=0003; Age=22; Sex=M; Ht_in=73; Wt_lbs=195; BMI=26; WaistCirc_in=--; Diet_notes=Avoids some fruits SUBJECT_SAMPLE_FACTORS ae ae-0007 Diet:Omnivore Time Point=0007; Age=22; Sex=M; Ht_in=73; Wt_lbs=195; BMI=26; WaistCirc_in=--; Diet_notes=Avoids some fruits SUBJECT_SAMPLE_FACTORS ae ae-0024 Diet:Omnivore Time Point=0024; Age=22; Sex=M; Ht_in=73; Wt_lbs=195; BMI=26; WaistCirc_in=--; Diet_notes=Avoids some fruits SUBJECT_SAMPLE_FACTORS ae ae-0069 Diet:Omnivore Time Point=0069; Age=22; Sex=M; Ht_in=73; Wt_lbs=195; BMI=26; WaistCirc_in=--; Diet_notes=Avoids some fruits SUBJECT_SAMPLE_FACTORS af af-0003 Diet:- Time Point=0003; Age=22; Sex=M; Ht_in=72; Wt_lbs=175; BMI=23.1; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS af af-0060 Diet:- Time Point=0060; Age=22; Sex=M; Ht_in=72; Wt_lbs=175; BMI=23.1; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ag ag-0001 Diet:- Time Point=0001; Age=32; Sex=M; Ht_in=61; Wt_lbs=208; BMI=29.8; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ag ag-0005 Diet:- Time Point=0005; Age=32; Sex=M; Ht_in=61; Wt_lbs=208; BMI=29.8; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ah ah-0002 Diet:- Time Point=0002; Age=44; Sex=M; Ht_in=61; Wt_lbs=195; BMI=28.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ah ah-0028 Diet:- Time Point=0028; Age=44; Sex=M; Ht_in=61; Wt_lbs=195; BMI=28.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ai ai-0002 Diet:- Time Point=0002; Age=20; Sex=M; Ht_in=71; Wt_lbs=150; BMI=22.1; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS aj aj-0001 Diet:- Time Point=0001; Age=33; Sex=M; Ht_in=61; Wt_lbs=190; BMI=29.1; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ak ak-0001 Diet:- Time Point=0001; Age=22; Sex=F; Ht_in=64; Wt_lbs=113; BMI=19.8; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS ak ak-0010 Diet:- Time Point=0010; Age=22; Sex=F; Ht_in=64; Wt_lbs=113; BMI=19.8; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS al al-0002 Diet:- Time Point=0002; Age=25; Sex=M; Ht_in=73; Wt_lbs=185; BMI=24.4; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS am am-0001 Diet:Vegetarian Time Point=0001; Age=28; Sex=M; Ht_in=71; Wt_lbs=174.2; BMI=23; WaistCirc_in=35; Diet_notes=leans toward vegetarian SUBJECT_SAMPLE_FACTORS am am-0003 Diet:Vegetarian Time Point=0003; Age=28; Sex=M; Ht_in=71; Wt_lbs=174.2; BMI=23; WaistCirc_in=35; Diet_notes=leans toward vegetarian SUBJECT_SAMPLE_FACTORS am am-0006 Diet:Vegetarian Time Point=0006; Age=28; Sex=M; Ht_in=71; Wt_lbs=174.2; BMI=23; WaistCirc_in=35; Diet_notes=leans toward vegetarian SUBJECT_SAMPLE_FACTORS am am-0014 Diet:Vegetarian Time Point=0014; Age=28; Sex=M; Ht_in=71; Wt_lbs=174.2; BMI=23; WaistCirc_in=35; Diet_notes=leans toward vegetarian SUBJECT_SAMPLE_FACTORS am am-0025 Diet:Vegetarian Time Point=0025; Age=28; Sex=M; Ht_in=71; Wt_lbs=174.2; BMI=23; WaistCirc_in=35; Diet_notes=leans toward vegetarian SUBJECT_SAMPLE_FACTORS am am-0052 Diet:Vegetarian Time Point=0052; Age=28; Sex=M; Ht_in=71; Wt_lbs=174.2; BMI=23; WaistCirc_in=35; Diet_notes=leans toward vegetarian SUBJECT_SAMPLE_FACTORS am am-0070 Diet:Vegetarian Time Point=0070; Age=28; Sex=M; Ht_in=71; Wt_lbs=174.2; BMI=23; WaistCirc_in=35; Diet_notes=leans toward vegetarian SUBJECT_SAMPLE_FACTORS am am-0111 Diet:Vegetarian Time Point=0111; Age=28; Sex=M; Ht_in=71; Wt_lbs=174.2; BMI=23; WaistCirc_in=35; Diet_notes=leans toward vegetarian SUBJECT_SAMPLE_FACTORS am am-0224 Diet:Vegetarian Time Point=0224; Age=28; Sex=M; Ht_in=71; Wt_lbs=174.2; BMI=23; WaistCirc_in=35; Diet_notes=leans toward vegetarian SUBJECT_SAMPLE_FACTORS an an-0001 Diet:- Time Point=0001; Age=23; Sex=F; Ht_in=71; Wt_lbs=131.6; BMI=21.4; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS an an-0002 Diet:- Time Point=0002; Age=23; Sex=F; Ht_in=71; Wt_lbs=131.6; BMI=21.4; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS an an-0004 Diet:- Time Point=0004; Age=23; Sex=F; Ht_in=71; Wt_lbs=131.6; BMI=21.4; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS an an-0013 Diet:- Time Point=0013; Age=23; Sex=F; Ht_in=71; Wt_lbs=131.6; BMI=21.4; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS an an-0025 Diet:- Time Point=0025; Age=23; Sex=F; Ht_in=71; Wt_lbs=131.6; BMI=21.4; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS an an-0030 Diet:- Time Point=0030; Age=23; Sex=F; Ht_in=71; Wt_lbs=131.6; BMI=21.4; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS an an-0082 Diet:- Time Point=0082; Age=23; Sex=F; Ht_in=71; Wt_lbs=131.6; BMI=21.4; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS ao ao-0001 Diet:- Time Point=0001; Age=37; Sex=M; Ht_in=61; Wt_lbs=190.6; BMI=26.2; WaistCirc_in=33.8; Diet_notes=- SUBJECT_SAMPLE_FACTORS ao ao-0004 Diet:- Time Point=0004; Age=37; Sex=M; Ht_in=61; Wt_lbs=190.6; BMI=26.2; WaistCirc_in=33.8; Diet_notes=- SUBJECT_SAMPLE_FACTORS ao ao-0025 Diet:- Time Point=0025; Age=37; Sex=M; Ht_in=61; Wt_lbs=190.6; BMI=26.2; WaistCirc_in=33.8; Diet_notes=- SUBJECT_SAMPLE_FACTORS ao ao-0049 Diet:- Time Point=0049; Age=37; Sex=M; Ht_in=61; Wt_lbs=190.6; BMI=26.2; WaistCirc_in=33.8; Diet_notes=- SUBJECT_SAMPLE_FACTORS ao ao-0085 Diet:- Time Point=0085; Age=37; Sex=M; Ht_in=61; Wt_lbs=190.6; BMI=26.2; WaistCirc_in=33.8; Diet_notes=- SUBJECT_SAMPLE_FACTORS ao ao-0090 Diet:- Time Point=0090; Age=37; Sex=M; Ht_in=61; Wt_lbs=190.6; BMI=26.2; WaistCirc_in=33.8; Diet_notes=- SUBJECT_SAMPLE_FACTORS ap ap-0001 Diet:Omnivore Time Point=0001; Age=31; Sex=F; Ht_in=64; Wt_lbs=114.6; BMI=21; WaistCirc_in=26.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS ap ap-0037 Diet:Omnivore Time Point=0037; Age=31; Sex=F; Ht_in=64; Wt_lbs=114.6; BMI=21; WaistCirc_in=26.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS aq aq-0004 Diet:Vegetarian Time Point=0004; Age=24; Sex=F; Ht_in=64; Wt_lbs=145; BMI=22.5; WaistCirc_in=28.2; Diet_notes=vegetarian (eats fish and eggs) SUBJECT_SAMPLE_FACTORS aq aq-0015 Diet:Vegetarian Time Point=0015; Age=24; Sex=F; Ht_in=64; Wt_lbs=145; BMI=22.5; WaistCirc_in=28.2; Diet_notes=vegetarian (eats fish and eggs) SUBJECT_SAMPLE_FACTORS ar ar-0039 Diet:- Time Point=0039; Age=25; Sex=F; Ht_in=71; Wt_lbs=148; BMI=21.9; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS as as-0033 Diet:- Time Point=0033; Age=28; Sex=M; Ht_in=71; Wt_lbs=168.2; BMI=26.4; WaistCirc_in=36.6; Diet_notes=- SUBJECT_SAMPLE_FACTORS at at-0004 Diet:- Time Point=0004; Age=24; Sex=F; Ht_in=62; Wt_lbs=114; BMI=20.9; WaistCirc_in=27.2; Diet_notes=- SUBJECT_SAMPLE_FACTORS at at-0044 Diet:- Time Point=0044; Age=24; Sex=F; Ht_in=62; Wt_lbs=114; BMI=20.9; WaistCirc_in=27.2; Diet_notes=- SUBJECT_SAMPLE_FACTORS au au-0002 Diet:- Time Point=0002; Age=22; Sex=M; Ht_in=75; Wt_lbs=157.6; BMI=20.1; WaistCirc_in=31; Diet_notes=- SUBJECT_SAMPLE_FACTORS av av-0006 Diet:- Time Point=0006; Age=27; Sex=F; Ht_in=71; Wt_lbs=130.6; BMI=21.2; WaistCirc_in=31; Diet_notes=- SUBJECT_SAMPLE_FACTORS av av-0107 Diet:- Time Point=0107; Age=27; Sex=F; Ht_in=71; Wt_lbs=130.6; BMI=21.2; WaistCirc_in=31; Diet_notes=- SUBJECT_SAMPLE_FACTORS aw aw-0001 Diet:Omnivore Time Point=0001; Age=26; Sex=F; Ht_in=71; Wt_lbs=140; BMI=23.3; WaistCirc_in=28.7; Diet_notes=- SUBJECT_SAMPLE_FACTORS aw aw-0036 Diet:Omnivore Time Point=0036; Age=26; Sex=F; Ht_in=71; Wt_lbs=140; BMI=23.3; WaistCirc_in=28.7; Diet_notes=- SUBJECT_SAMPLE_FACTORS ax ax-0001 Diet:Omnivore Time Point=0001; Age=43; Sex=M; Ht_in=69; Wt_lbs=182.2; BMI=27.3; WaistCirc_in=35; Diet_notes=on/off Paleo diet in summer SUBJECT_SAMPLE_FACTORS ax ax-0090 Diet:Omnivore Time Point=0090; Age=43; Sex=M; Ht_in=69; Wt_lbs=182.2; BMI=27.3; WaistCirc_in=35; Diet_notes=on/off Paleo diet in summer SUBJECT_SAMPLE_FACTORS ay ay-0001 Diet:Omnivore Time Point=0001; Age=35; Sex=M; Ht_in=71; Wt_lbs=169.2; BMI=25.7; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS az az-0001 Diet:Omnivore Time Point=0001; Age=26; Sex=F; Ht_in=65; Wt_lbs=144.6; BMI=24.5; WaistCirc_in=32.5; Diet_notes=avoids dairy SUBJECT_SAMPLE_FACTORS ba ba-0001 Diet:Omnivore Time Point=0001; Age=20; Sex=M; Ht_in=73; Wt_lbs=159.6; BMI=20.9; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS ba ba-0003 Diet:Omnivore Time Point=0003; Age=20; Sex=M; Ht_in=73; Wt_lbs=159.6; BMI=20.9; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS ba ba-0010 Diet:Omnivore Time Point=0010; Age=20; Sex=M; Ht_in=73; Wt_lbs=159.6; BMI=20.9; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS ba ba-0018 Diet:Omnivore Time Point=0018; Age=20; Sex=M; Ht_in=73; Wt_lbs=159.6; BMI=20.9; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS ba ba-0025 Diet:Omnivore Time Point=0025; Age=20; Sex=M; Ht_in=73; Wt_lbs=159.6; BMI=20.9; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS ba ba-0066 Diet:Omnivore Time Point=0066; Age=20; Sex=M; Ht_in=73; Wt_lbs=159.6; BMI=20.9; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS ba ba-0113 Diet:Omnivore Time Point=0113; Age=20; Sex=M; Ht_in=73; Wt_lbs=159.6; BMI=20.9; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bc bc-0002 Diet:Omnivore Time Point=0002; Age=27; Sex=F; Ht_in=62; Wt_lbs=117.4; BMI=21.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS bc bc-0003 Diet:Omnivore Time Point=0003; Age=27; Sex=F; Ht_in=62; Wt_lbs=117.4; BMI=21.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS bc bc-0013 Diet:Omnivore Time Point=0013; Age=27; Sex=F; Ht_in=62; Wt_lbs=117.4; BMI=21.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS bc bc-0018 Diet:Omnivore Time Point=0018; Age=27; Sex=F; Ht_in=62; Wt_lbs=117.4; BMI=21.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS bc bc-0029 Diet:Omnivore Time Point=0029; Age=27; Sex=F; Ht_in=62; Wt_lbs=117.4; BMI=21.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS bc bc-0042 Diet:Omnivore Time Point=0042; Age=27; Sex=F; Ht_in=62; Wt_lbs=117.4; BMI=21.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS bc bc-0068 Diet:Omnivore Time Point=0068; Age=27; Sex=F; Ht_in=62; Wt_lbs=117.4; BMI=21.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS bc bc-0105 Diet:Omnivore Time Point=0105; Age=27; Sex=F; Ht_in=62; Wt_lbs=117.4; BMI=21.3; WaistCirc_in=--; Diet_notes=- SUBJECT_SAMPLE_FACTORS bd bd-0033 Diet:Vegetarian Time Point=0033; Age=33; Sex=M; Ht_in=61; Wt_lbs=177.2; BMI=24.9; WaistCirc_in=35.1; Diet_notes=occ eats fish, dairy SUBJECT_SAMPLE_FACTORS be be-0001 Diet:Omnivore Time Point=0001; Age=24; Sex=M; Ht_in=74; Wt_lbs=180.4; BMI=23.5; WaistCirc_in=35; Diet_notes=avoids dairy SUBJECT_SAMPLE_FACTORS bf bf-0003 Diet:Omnivore Time Point=0003; Age=27; Sex=M; Ht_in=67; Wt_lbs=184.6; BMI=28.1; WaistCirc_in=36; Diet_notes=- SUBJECT_SAMPLE_FACTORS bf bf-0108 Diet:Omnivore Time Point=0108; Age=27; Sex=M; Ht_in=67; Wt_lbs=184.6; BMI=28.1; WaistCirc_in=36; Diet_notes=- SUBJECT_SAMPLE_FACTORS bh bh-0001 Diet:Vegetarian Time Point=0001; Age=33; Sex=F; Ht_in=66; Wt_lbs=126.8; BMI=20.4; WaistCirc_in=36; Diet_notes=avoids dairy and bread SUBJECT_SAMPLE_FACTORS bh bh-0003 Diet:Vegetarian Time Point=0003; Age=33; Sex=F; Ht_in=66; Wt_lbs=126.8; BMI=20.4; WaistCirc_in=36; Diet_notes=avoids dairy and bread SUBJECT_SAMPLE_FACTORS bh bh-0012 Diet:Vegetarian Time Point=0012; Age=33; Sex=F; Ht_in=66; Wt_lbs=126.8; BMI=20.4; WaistCirc_in=36; Diet_notes=avoids dairy and bread SUBJECT_SAMPLE_FACTORS bh bh-0025 Diet:Vegetarian Time Point=0025; Age=33; Sex=F; Ht_in=66; Wt_lbs=126.8; BMI=20.4; WaistCirc_in=36; Diet_notes=avoids dairy and bread SUBJECT_SAMPLE_FACTORS bh bh-0050 Diet:Vegetarian Time Point=0050; Age=33; Sex=F; Ht_in=66; Wt_lbs=126.8; BMI=20.4; WaistCirc_in=36; Diet_notes=avoids dairy and bread SUBJECT_SAMPLE_FACTORS bh bh-0066 Diet:Vegetarian Time Point=0066; Age=33; Sex=F; Ht_in=66; Wt_lbs=126.8; BMI=20.4; WaistCirc_in=36; Diet_notes=avoids dairy and bread SUBJECT_SAMPLE_FACTORS bh bh-0087 Diet:Vegetarian Time Point=0087; Age=33; Sex=F; Ht_in=66; Wt_lbs=126.8; BMI=20.4; WaistCirc_in=36; Diet_notes=avoids dairy and bread SUBJECT_SAMPLE_FACTORS bh bh-0123 Diet:Vegetarian Time Point=0123; Age=33; Sex=F; Ht_in=66; Wt_lbs=126.8; BMI=20.4; WaistCirc_in=36; Diet_notes=avoids dairy and bread SUBJECT_SAMPLE_FACTORS bi bi-0001 Diet:- Time Point=0001; Age=24; Sex=M; Ht_in=61; Wt_lbs=146; BMI=21.6; WaistCirc_in=31.4; Diet_notes=- SUBJECT_SAMPLE_FACTORS bi bi-0026 Diet:- Time Point=0026; Age=24; Sex=M; Ht_in=61; Wt_lbs=146; BMI=21.6; WaistCirc_in=31.4; Diet_notes=- SUBJECT_SAMPLE_FACTORS bj bj-0001 Diet:- Time Point=0001; Age=26; Sex=M; Ht_in=71; Wt_lbs=181.6; BMI=27; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bj bj-0004 Diet:- Time Point=0004; Age=26; Sex=M; Ht_in=71; Wt_lbs=181.6; BMI=27; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bj bj-0014 Diet:- Time Point=0014; Age=26; Sex=M; Ht_in=71; Wt_lbs=181.6; BMI=27; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bj bj-0032 Diet:- Time Point=0032; Age=26; Sex=M; Ht_in=71; Wt_lbs=181.6; BMI=27; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bj bj-0056 Diet:- Time Point=0056; Age=26; Sex=M; Ht_in=71; Wt_lbs=181.6; BMI=27; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bj bj-0095 Diet:- Time Point=0095; Age=26; Sex=M; Ht_in=71; Wt_lbs=181.6; BMI=27; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bj bj-0110 Diet:- Time Point=0110; Age=26; Sex=M; Ht_in=71; Wt_lbs=181.6; BMI=27; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bk bk-0002 Diet:- Time Point=0002; Age=25; Sex=F; Ht_in=67; Wt_lbs=115; BMI=17.5; WaistCirc_in=31; Diet_notes=- SUBJECT_SAMPLE_FACTORS bl bl-0009 Diet:- Time Point=0009; Age=29; Sex=M; Ht_in=71; Wt_lbs=157.2; BMI=23.6; WaistCirc_in=33; Diet_notes=- SUBJECT_SAMPLE_FACTORS bm bm-0002 Diet:- Time Point=0002; Age=29; Sex=M; Ht_in=70; Wt_lbs=165.6; BMI=23.7; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS bm bm-0013 Diet:- Time Point=0013; Age=29; Sex=M; Ht_in=70; Wt_lbs=165.6; BMI=23.7; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS bn bn-0002 Diet:- Time Point=0002; Age=29; Sex=F; Ht_in=63; Wt_lbs=119.6; BMI=20.3; WaistCirc_in=31; Diet_notes=- SUBJECT_SAMPLE_FACTORS bn bn-0038 Diet:- Time Point=0038; Age=29; Sex=F; Ht_in=63; Wt_lbs=119.6; BMI=20.3; WaistCirc_in=31; Diet_notes=- SUBJECT_SAMPLE_FACTORS bo bo-0001 Diet:Omnivore Time Point=0001; Age=36; Sex=M; Ht_in=74; Wt_lbs=174.8; BMI=22.2; WaistCirc_in=34; Diet_notes=- SUBJECT_SAMPLE_FACTORS bo bo-0122 Diet:Omnivore Time Point=0122; Age=36; Sex=M; Ht_in=74; Wt_lbs=174.8; BMI=22.2; WaistCirc_in=34; Diet_notes=- SUBJECT_SAMPLE_FACTORS bp bp-0002 Diet:- Time Point=0002; Age=28; Sex=M; Ht_in=71; Wt_lbs=137.6; BMI=19.7; WaistCirc_in=30.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bq bq-0002 Diet:Omnivore Time Point=0002; Age=26; Sex=M; Ht_in=73; Wt_lbs=190; BMI=24.9; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS bq bq-0068 Diet:Omnivore Time Point=0068; Age=26; Sex=M; Ht_in=73; Wt_lbs=190; BMI=24.9; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS br br-0002 Diet:Omnivore Time Point=0002; Age=25; Sex=M; Ht_in=71; Wt_lbs=145; BMI=22; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS bs bs-0008 Diet:Omnivore Time Point=0008; Age=32; Sex=M; Ht_in=75; Wt_lbs=188; BMI=23.4; WaistCirc_in=33; Diet_notes=- SUBJECT_SAMPLE_FACTORS bt bt-0001 Diet:- Time Point=0001; Age=30; Sex=M; Ht_in=71; Wt_lbs=162; BMI=24.7; WaistCirc_in=35.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bt bt-0039 Diet:- Time Point=0039; Age=30; Sex=M; Ht_in=71; Wt_lbs=162; BMI=24.7; WaistCirc_in=35.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bu bu-0001 Diet:Omnivore Time Point=0001; Age=21; Sex=M; Ht_in=71; Wt_lbs=139; BMI=20.5; WaistCirc_in=30; Diet_notes=Avoids processed foods SUBJECT_SAMPLE_FACTORS bu bu-0080 Diet:Omnivore Time Point=0080; Age=21; Sex=M; Ht_in=71; Wt_lbs=139; BMI=20.5; WaistCirc_in=30; Diet_notes=Avoids processed foods SUBJECT_SAMPLE_FACTORS bv bv-0001 Diet:- Time Point=0001; Age=29; Sex=M; Ht_in=71; Wt_lbs=179.6; BMI=26.9; WaistCirc_in=36.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bw bw-0001 Diet:- Time Point=0001; Age=26; Sex=M; Ht_in=61; Wt_lbs=151.4; BMI=21.4; WaistCirc_in=30.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bw bw-0033 Diet:- Time Point=0033; Age=26; Sex=M; Ht_in=61; Wt_lbs=151.4; BMI=21.4; WaistCirc_in=30.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS bx bx-0001 Diet:Omnivore Time Point=0001; Age=23; Sex=M; Ht_in=72; Wt_lbs=164.2; BMI=22.4; WaistCirc_in=33; Diet_notes=- SUBJECT_SAMPLE_FACTORS bx bx-0057 Diet:Omnivore Time Point=0057; Age=23; Sex=M; Ht_in=72; Wt_lbs=164.2; BMI=22.4; WaistCirc_in=33; Diet_notes=- SUBJECT_SAMPLE_FACTORS by by-0002 Diet:Omnivore Time Point=0002; Age=24; Sex=M; Ht_in=71; Wt_lbs=167.6; BMI=24.3; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS bz bz-0033 Diet:Omnivore Time Point=0033; Age=22; Sex=M; Ht_in=65; Wt_lbs=136.6; BMI=22.3; WaistCirc_in=32.4; Diet_notes=- SUBJECT_SAMPLE_FACTORS ca ca-0001 Diet:Omnivore Time Point=0001; Age=22; Sex=M; Ht_in=71; Wt_lbs=172; BMI=25.5; WaistCirc_in=34; Diet_notes=- SUBJECT_SAMPLE_FACTORS ca ca-0012 Diet:Omnivore Time Point=0012; Age=22; Sex=M; Ht_in=71; Wt_lbs=172; BMI=25.5; WaistCirc_in=34; Diet_notes=- SUBJECT_SAMPLE_FACTORS cb cb-0001 Diet:Omnivore Time Point=0001; Age=19; Sex=M; Ht_in=61; Wt_lbs=143.6; BMI=20.3; WaistCirc_in=30.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cb cb-0051 Diet:Omnivore Time Point=0051; Age=19; Sex=M; Ht_in=61; Wt_lbs=143.6; BMI=20.3; WaistCirc_in=30.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cc cc-0002 Diet:Omnivore Time Point=0002; Age=26; Sex=M; Ht_in=71; Wt_lbs=160; BMI=23.7; WaistCirc_in=34; Diet_notes=- SUBJECT_SAMPLE_FACTORS cd cd-0050 Diet:Omnivore Time Point=0050; Age=34; Sex=M; Ht_in=69; Wt_lbs=165.2; BMI=23.9; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS ce ce-0001 Diet:- Time Point=0001; Age=32; Sex=M; Ht_in=71; Wt_lbs=132.4; BMI=21.4; WaistCirc_in=31.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS ce ce-0007 Diet:- Time Point=0007; Age=32; Sex=M; Ht_in=71; Wt_lbs=132.4; BMI=21.4; WaistCirc_in=31.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cf cf-0001 Diet:Omnivore Time Point=0001; Age=26; Sex=M; Ht_in=72; Wt_lbs=207.2; BMI=27.5; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS cf cf-0037 Diet:Omnivore Time Point=0037; Age=26; Sex=M; Ht_in=72; Wt_lbs=207.2; BMI=27.5; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS cg cg-0001 Diet:Omnivore Time Point=0001; Age=29; Sex=M; Ht_in=73; Wt_lbs=187; BMI=24.6; WaistCirc_in=34; Diet_notes=- SUBJECT_SAMPLE_FACTORS ch ch-0008 Diet:Omnivore Time Point=0008; Age=24; Sex=M; Ht_in=67; Wt_lbs=173.8; BMI=27; WaistCirc_in=32.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cj cj-0004 Diet:Omnivore Time Point=0004; Age=35; Sex=M; Ht_in=70; Wt_lbs=170; BMI=24.4; WaistCirc_in=35.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cl cl-0001 Diet:Omnivore Time Point=0001; Age=29; Sex=M; Ht_in=70; Wt_lbs=156; BMI=22; WaistCirc_in=31; Diet_notes=Doesn't eat a lot of meat SUBJECT_SAMPLE_FACTORS cl cl-0004 Diet:Omnivore Time Point=0004; Age=29; Sex=M; Ht_in=70; Wt_lbs=156; BMI=22; WaistCirc_in=31; Diet_notes=Doesn't eat a lot of meat SUBJECT_SAMPLE_FACTORS cl cl-0018 Diet:Omnivore Time Point=0018; Age=29; Sex=M; Ht_in=70; Wt_lbs=156; BMI=22; WaistCirc_in=31; Diet_notes=Doesn't eat a lot of meat SUBJECT_SAMPLE_FACTORS cl cl-0068 Diet:Omnivore Time Point=0068; Age=29; Sex=M; Ht_in=70; Wt_lbs=156; BMI=22; WaistCirc_in=31; Diet_notes=Doesn't eat a lot of meat SUBJECT_SAMPLE_FACTORS cl cl-0134 Diet:Omnivore Time Point=0134; Age=29; Sex=M; Ht_in=70; Wt_lbs=156; BMI=22; WaistCirc_in=31; Diet_notes=Doesn't eat a lot of meat SUBJECT_SAMPLE_FACTORS cm cm-0001 Diet:Omnivore Time Point=0001; Age=22; Sex=M; Ht_in=72; Wt_lbs=181.6; BMI=24.1; WaistCirc_in=31.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cm cm-0022 Diet:Omnivore Time Point=0022; Age=22; Sex=M; Ht_in=72; Wt_lbs=181.6; BMI=24.1; WaistCirc_in=31.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cn cn-0002 Diet:Omnivore Time Point=0002; Age=34; Sex=F; Ht_in=68; Wt_lbs=157; BMI=23.6; WaistCirc_in=33; Diet_notes=- SUBJECT_SAMPLE_FACTORS cp cp-0001 Diet:Omnivore Time Point=0001; Age=26; Sex=M; Ht_in=74; Wt_lbs=182.6; BMI=23.2; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cp cp-0009 Diet:Omnivore Time Point=0009; Age=26; Sex=M; Ht_in=74; Wt_lbs=182.6; BMI=23.2; WaistCirc_in=33.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cq cq-0035 Diet:Omnivore Time Point=0035; Age=27; Sex=F; Ht_in=66; Wt_lbs=137; BMI=22; WaistCirc_in=29; Diet_notes=Doesn't eat a lot of meat SUBJECT_SAMPLE_FACTORS cr cr-0001 Diet:Omnivore Time Point=0001; Age=28; Sex=M; Ht_in=67; Wt_lbs=133; BMI=20.8; WaistCirc_in=26; Diet_notes=- SUBJECT_SAMPLE_FACTORS cs cs-0001 Diet:Omnivore Time Point=0001; Age=32; Sex=F; Ht_in=65; Wt_lbs=155; BMI=26; WaistCirc_in=32; Diet_notes=- SUBJECT_SAMPLE_FACTORS cs cs-0029 Diet:Omnivore Time Point=0029; Age=32; Sex=F; Ht_in=65; Wt_lbs=155; BMI=26; WaistCirc_in=32; Diet_notes=- SUBJECT_SAMPLE_FACTORS ct ct-0001 Diet:- Time Point=0001; Age=35; Sex=M; Ht_in=71; Wt_lbs=162.8; BMI=22.5; WaistCirc_in=33; Diet_notes=- SUBJECT_SAMPLE_FACTORS ct ct-0005 Diet:- Time Point=0005; Age=35; Sex=M; Ht_in=71; Wt_lbs=162.8; BMI=22.5; WaistCirc_in=33; Diet_notes=- SUBJECT_SAMPLE_FACTORS cu cu-0001 Diet:- Time Point=0001; Age=29; Sex=M; Ht_in=72; Wt_lbs=175.4; BMI=23.8; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS cu cu-0009 Diet:- Time Point=0009; Age=29; Sex=M; Ht_in=72; Wt_lbs=175.4; BMI=23.8; WaistCirc_in=35; Diet_notes=- SUBJECT_SAMPLE_FACTORS cv cv-0001 Diet:Omnivore Time Point=0001; Age=21; Sex=M; Ht_in=74; Wt_lbs=193; BMI=24.8; WaistCirc_in=34.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS cw cw-0001 Diet:Vegetarian Time Point=0001; Age=30; Sex=F; Ht_in=64; Wt_lbs=132; BMI=22.7; WaistCirc_in=29; Diet_notes=- SUBJECT_SAMPLE_FACTORS cw cw-0035 Diet:Vegetarian Time Point=0035; Age=30; Sex=F; Ht_in=64; Wt_lbs=132; BMI=22.7; WaistCirc_in=29; Diet_notes=- SUBJECT_SAMPLE_FACTORS cw cw-0053 Diet:Vegetarian Time Point=0053; Age=30; Sex=F; Ht_in=64; Wt_lbs=132; BMI=22.7; WaistCirc_in=29; Diet_notes=- SUBJECT_SAMPLE_FACTORS cy cy-0001 Diet:Vegetarian Time Point=0001; Age=45; Sex=F; Ht_in=71; Wt_lbs=161; BMI=22.4; WaistCirc_in=32; Diet_notes=- SUBJECT_SAMPLE_FACTORS cy cy-0019 Diet:Vegetarian Time Point=0019; Age=45; Sex=F; Ht_in=71; Wt_lbs=161; BMI=22.4; WaistCirc_in=32; Diet_notes=- SUBJECT_SAMPLE_FACTORS cy cy-0037 Diet:Vegetarian Time Point=0037; Age=45; Sex=F; Ht_in=71; Wt_lbs=161; BMI=22.4; WaistCirc_in=32; Diet_notes=- SUBJECT_SAMPLE_FACTORS cz cz-0001 Diet:Omnivore Time Point=0001; Age=21; Sex=M; Ht_in=74; Wt_lbs=184; BMI=23.5; WaistCirc_in=32.5; Diet_notes=avoids sugar SUBJECT_SAMPLE_FACTORS cz cz-0039 Diet:Omnivore Time Point=0039; Age=21; Sex=M; Ht_in=74; Wt_lbs=184; BMI=23.5; WaistCirc_in=32.5; Diet_notes=avoids sugar SUBJECT_SAMPLE_FACTORS da da-0001 Diet:Omnivore Time Point=0001; Age=23; Sex=M; Ht_in=67; Wt_lbs=167; BMI=25.6; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS da da-0044 Diet:Omnivore Time Point=0044; Age=23; Sex=M; Ht_in=67; Wt_lbs=167; BMI=25.6; WaistCirc_in=30; Diet_notes=- SUBJECT_SAMPLE_FACTORS db db-0001 Diet:Omnivore Time Point=0001; Age=19; Sex=M; Ht_in=68; Wt_lbs=157.2; BMI=23.5; WaistCirc_in=29; Diet_notes=Limits red meat SUBJECT_SAMPLE_FACTORS dc dc-0001 Diet:Omnivore Time Point=0001; Age=25; Sex=M; Ht_in=68; Wt_lbs=173; BMI=25.8; WaistCirc_in=31; Diet_notes=- SUBJECT_SAMPLE_FACTORS dc dc-0028 Diet:Omnivore Time Point=0028; Age=25; Sex=M; Ht_in=68; Wt_lbs=173; BMI=25.8; WaistCirc_in=31; Diet_notes=- SUBJECT_SAMPLE_FACTORS dd dd-0041 Diet:Vegetarian Time Point=0041; Age=33; Sex=F; Ht_in=68; Wt_lbs=134.8; BMI=20.3; WaistCirc_in=29.5; Diet_notes=Vegan SUBJECT_SAMPLE_FACTORS de de-0001 Diet:Omnivore Time Point=0001; Age=29; Sex=F; Ht_in=68; Wt_lbs=127; BMI=19.4; WaistCirc_in=27; Diet_notes=- SUBJECT_SAMPLE_FACTORS de de-0031 Diet:Omnivore Time Point=0031; Age=29; Sex=F; Ht_in=68; Wt_lbs=127; BMI=19.4; WaistCirc_in=27; Diet_notes=- SUBJECT_SAMPLE_FACTORS df df-0001 Diet:Omnivore Time Point=0001; Age=43; Sex=F; Ht_in=64; Wt_lbs=126; BMI=21.4; WaistCirc_in=25.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS df df-0030 Diet:Omnivore Time Point=0030; Age=43; Sex=F; Ht_in=64; Wt_lbs=126; BMI=21.4; WaistCirc_in=25.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS dg dg-0001 Diet:Omnivore Time Point=0001; Age=30; Sex=M; Ht_in=73; Wt_lbs=184; BMI=23.7; WaistCirc_in=32.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS dg dg-0008 Diet:Omnivore Time Point=0008; Age=30; Sex=M; Ht_in=73; Wt_lbs=184; BMI=23.7; WaistCirc_in=32.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS dh dh-0001 Diet:Omnivore Time Point=0001; Age=22; Sex=F; Ht_in=63; Wt_lbs=123.8; BMI=21.6; WaistCirc_in=25.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS dh dh-0010 Diet:Omnivore Time Point=0010; Age=22; Sex=F; Ht_in=63; Wt_lbs=123.8; BMI=21.6; WaistCirc_in=25.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS di di-0001 Diet:Omnivore Time Point=0001; Age=31; Sex=M; Ht_in=70; Wt_lbs=168; BMI=24; WaistCirc_in=29; Diet_notes=- SUBJECT_SAMPLE_FACTORS di di-0009 Diet:Omnivore Time Point=0009; Age=31; Sex=M; Ht_in=70; Wt_lbs=168; BMI=24; WaistCirc_in=29; Diet_notes=- SUBJECT_SAMPLE_FACTORS dj dj-0001 Diet:Vegetarian Time Point=0001; Age=19; Sex=M; Ht_in=68; Wt_lbs=169; BMI=25.3; WaistCirc_in=33; Diet_notes=- SUBJECT_SAMPLE_FACTORS dj dj-0016 Diet:Vegetarian Time Point=0016; Age=19; Sex=M; Ht_in=68; Wt_lbs=169; BMI=25.3; WaistCirc_in=33; Diet_notes=- SUBJECT_SAMPLE_FACTORS dk dk-0001 Diet:Omnivore Time Point=0001; Age=40; Sex=F; Ht_in=62; Wt_lbs=132.8; BMI=24.2; WaistCirc_in=27.5; Diet_notes=- SUBJECT_SAMPLE_FACTORS dk dk-0003 Diet:Omnivore Time Point=0003; Age=40; Sex=F; Ht_in=62; Wt_lbs=132.8; BMI=24.2; WaistCirc_in=27.5; Diet_notes=- #COLLECTION CO:COLLECTION_SUMMARY Stool samples were obtained from OpenBiome (https://www.openbiome.org/), a CO:COLLECTION_SUMMARY non-profit stool bank, under a protocol approved by the institutional review CO:COLLECTION_SUMMARY boards at MIT and the Broad Institute (IRB protocol ID #1603506899) CO:SAMPLE_TYPE Stool CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Subjects were healthy people screened by OpenBiome to minimize the potential for TR:TREATMENT_SUMMARY carrying pathogens, with ages between 19-45 years and with BMI between 17.5-29.8 TR:TREATMENT_SUMMARY at initial sampling. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Raw stool were diluted 1:10 in 12.5% glycerol buffer and 0.9% NaCl, homogenized SP:SAMPLEPREP_SUMMARY and filtered through a 330um filter. HILIC-pos: LC-MS samples were prepared from SP:SAMPLEPREP_SUMMARY homogenate(10 μL) via protein precipitation with the addition of nine volumes SP:SAMPLEPREP_SUMMARY of 74.9:24.9:0.2 v/v/v acetonitrile/methanol/formic acid containing stable SP:SAMPLEPREP_SUMMARY isotope-labeled internal standards (valine-d8, Isotec; and phenylalanine-d8, SP:SAMPLEPREP_SUMMARY Cambridge Isotope Laboratories; Andover, MA). The samples are centrifuged (10 SP:SAMPLEPREP_SUMMARY min, 9,000 x g, 4°C), and the supernatants were injected directly. HILIC-neg: SP:SAMPLEPREP_SUMMARY Stool homogenates (30μL) were extracted using 120 μL of 80% methanol (VWR) SP:SAMPLEPREP_SUMMARY containing 0.05 ng/μL inosine-15N4, 0.05 ng/μL thymine-d4, and 0.1 ng/μL SP:SAMPLEPREP_SUMMARY glycocholate-d4 as internal standards (Cambridge Isotope Laboratories). The SP:SAMPLEPREP_SUMMARY samples were centrifuged (10 min, 9,000 x g, 4ºC) and the supernatants (10 μL) SP:SAMPLEPREP_SUMMARY were injected directly. C18-neg: Stool homogenates (30 μL) were extracted using SP:SAMPLEPREP_SUMMARY 90 μL of methanol containing PGE2-d4 as an internal standard (Cayman Chemical SP:SAMPLEPREP_SUMMARY Co.; Ann Arbor, MI) and centrifuged (10 min, 9,000 x g, 4°C). C8-pos: Lipids SP:SAMPLEPREP_SUMMARY were extracted from homogenates (10 μL) using 190 μL of isopropanol containing SP:SAMPLEPREP_SUMMARY 1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal standard SP:SAMPLEPREP_SUMMARY (Avanti Polar Lipids; Alabaster, AL). After centrifugation (10 min, 9,000 x g, SP:SAMPLEPREP_SUMMARY ambient temperature), supernatants (10 μL) were injected directly #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap CH:COLUMN_NAME Waters Atlantis HILIC (150 x 2 mm) CH:SOLVENT_A 10 mM ammonium formate and 0.1% formic acid in water CH:SOLVENT_B acetonitrile with 0.1% formic acid #ANALYSIS AN:ANALYSIS_TYPE MS AN:OPERATOR_NAME Justin Scott #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Raw data were processed using TraceFinder 3.3 software (Thermo Fisher MS:MS_COMMENTS Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon MS:MS_COMMENTS Tyne, UK). Metabolite identities were confirmed using authentic reference MS:MS_COMMENTS standards or reference samples. MS:MS_RESULTS_FILE ST001192_AN001984_Results.txt UNITS:abundance Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Abundace MS_METABOLITE_DATA_START Samples aa-0163 ab-0140 ac-0002 ad-0002 ad-0005 ae-0001 ae-0003 ae-0007 ae-0024 ae-0069 af-0003 af-0060 ag-0001 ag-0005 ah-0002 ah-0028 ai-0002 aj-0001 ak-0001 ak-0010 al-0002 am-0001 am-0003 am-0006 am-0014 am-0025 am-0052 am-0070 am-0111 am-0224 an-0001 an-0002 an-0004 an-0013 an-0025 an-0030 an-0082 ao-0001 ao-0004 ao-0025 ao-0049 ao-0085 ao-0090 ap-0001 ap-0037 aq-0004 aq-0015 ar-0039 as-0033 at-0004 at-0044 au-0002 av-0006 av-0107 aw-0001 aw-0036 ax-0001 ax-0090 ay-0001 az-0001 ba-0001 ba-0003 ba-0010 ba-0018 ba-0025 ba-0066 ba-0113 bc-0002 bc-0003 bc-0013 bc-0018 bc-0029 bc-0042 bc-0068 bc-0105 bd-0033 be-0001 bf-0003 bf-0108 bh-0001 bh-0003 bh-0012 bh-0025 bh-0050 bh-0066 bh-0087 bh-0123 bi-0001 bi-0026 bj-0001 bj-0004 bj-0014 bj-0032 bj-0056 bj-0095 bj-0110 bk-0002 bl-0009 bm-0002 bm-0013 bn-0002 bn-0038 bo-0001 bo-0122 bp-0002 bq-0002 bq-0068 br-0002 bs-0008 bt-0001 bt-0039 bu-0001 bu-0080 bv-0001 bw-0001 bw-0033 bx-0001 bx-0057 by-0002 bz-0033 ca-0001 ca-0012 cb-0001 cb-0051 cc-0002 cd-0050 ce-0001 ce-0007 cf-0001 cf-0037 cg-0001 ch-0008 cj-0004 cl-0001 cl-0004 cl-0018 cl-0068 cl-0134 cm-0001 cm-0022 cn-0002 cp-0001 cp-0009 cq-0035 cr-0001 cs-0001 cs-0029 ct-0001 ct-0005 cu-0001 cu-0009 cv-0001 cw-0001 cw-0035 cw-0053 cy-0001 cy-0019 cy-0037 cz-0001 cz-0039 da-0001 da-0044 db-0001 dc-0001 dc-0028 dd-0041 de-0001 de-0031 df-0001 df-0030 dg-0001 dg-0008 dh-0001 dh-0010 di-0001 di-0009 dj-0001 dj-0016 dk-0001 dk-0003 Factors Diet:- Diet:- Diet:- Diet:- Diet:- Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:Omnivore Diet:Omnivore Diet:Vegetarian Diet:Vegetarian Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Vegetarian Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:- Diet:Omnivore Diet:Omnivore Diet:- Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:- Diet:- Diet:Omnivore Diet:Omnivore Diet:- Diet:- Diet:- Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:- Diet:- Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:- Diet:- Diet:- Diet:- Diet:Omnivore Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Vegetarian Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Vegetarian Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Omnivore Diet:Vegetarian Diet:Vegetarian Diet:Omnivore Diet:Omnivore valine-d8 60311 42272 50616 57854 56886 57100 57531 56578 56442 55741 56587 57366 56012 52441 44683 49290 59520 55234 61479 59273 53826 49699 53336 59166 57772 61791 55864 58255 52316 54998 54512 48356 68379 41320 56134 55461 55001 62539 60571 59091 60110 58578 60844 57390 55260 64541 58354 45309 46941 56331 58804 50314 55269 52171 53978 52907 56217 52216 63190 81856 50929 49950 47869 43131 55465 53755 55097 56141 53629 50065 53656 52616 55822 54680 51082 57288 55640 60307 65799 54992 51842 51056 49876 54956 53014 50854 51029 57886 63699 57584 58275 53670 60783 55350 56975 53655 50149 52715 53676 53618 55072 42067 50550 55640 55482 65882 61663 41255 53332 61981 62848 49137 48529 58824 56568 56801 44447 50367 52625 71853 43627 54397 53510 47924 45166 53946 50977 51126 54302 50177 56544 54807 56185 52199 59638 51357 54164 52879 55053 56590 58656 42739 45703 54676 59570 51919 39013 54967 61798 56020 53323 56775 53558 56025 57098 39826 53902 56655 35747 41476 53306 51838 39020 51420 82754 56421 63681 69707 56991 53263 57103 55763 59708 54993 55300 58616 51932 56139 59761 48688 phenylalanine-d8 166033 112257 151590 166860 153530 156842 160871 158459 166488 143811 155378 147742 151748 149849 149776 140054 157925 154163 177582 174389 157600 146294 143695 170819 160986 192756 162214 177377 149898 160074 151730 124018 167954 107640 158537 154512 149990 167901 182911 182921 180089 160843 181396 170005 163302 183161 168730 117689 121082 142246 159412 142651 149923 135205 153555 160542 155497 141839 172098 170122 127834 133029 125406 139771 144909 153327 147507 149462 145013 125516 145988 139067 144530 144368 147877 160676 164028 172356 197363 160298 134520 132914 147303 156798 148157 142256 151963 157941 169406 150000 153139 144812 151940 146036 149823 158539 135563 153870 147312 128384 161642 113203 127482 145798 145987 175643 159756 118629 131321 166430 171176 134536 132743 164050 162023 159840 106002 135097 143456 127205 113900 150067 143330 142866 110567 142813 154024 151270 136273 137379 164288 167686 156113 147924 162904 149072 154705 140010 139965 176678 158380 100407 99956 166825 160504 129915 94681 170479 177750 151551 167551 143005 147159 156987 165963 102257 130412 150147 89401 106846 140305 142587 109489 142905 152675 168388 167768 169595 154691 169690 148340 142657 184216 156138 145686 166170 131267 145368 159457 126169 glycine 641 1253 1283 1376 1098 1052 1612 1463 1582 1015 438 274 1274 1290 312 469 646 1077 1163 1498 1521 1202 1522 1804 1143 3063 1131 2300 1815 3338 602 398 2449 300 1008 854 918 1024 2572 1334 3460 546 1317 1031 1165 940 1758 721 395 1145 4941 1697 1100 693 358 737 1482 410 700 1170 478 1315 532 543 821 1671 765 746 2437 403 804 1424 572 917 2674 679 867 941 2147 1141 703 729 480 729 421 495 385 1077 892 895 582 1055 965 442 484 1006 599 622 733 1030 286 505 350 1063 2409 487 685 648 261 746 1004 1303 1722 1094 530 514 600 699 920 643 748 788 395 684 163 939 1883 914 252 184 557 1888 576 931 1384 692 885 271 709 930 731 557 395 1261 1585 520 406 1138 995 1117 1561 482 161 467 696 517 289 428 485 497 2388 1180 1316 645 1109 935 1500 1362 854 1713 663 783 3123 2455 685 1001 548 805 918 468 alanine 6781 13591 14171 9135 6088 12798 13646 14690 26623 7180 5744 1262 13536 13695 3036 4256 7433 12512 6429 8170 14244 14802 15854 18393 12542 25435 18249 49858 21262 16524 4913 3120 10062 2038 6256 8357 8575 13245 38419 13483 46467 3424 7538 4188 7310 3071 11356 4255 5105 13696 17987 25285 10840 5481 1645 5510 8827 2315 5391 10489 2637 8791 3512 3380 5656 14186 7249 8562 10342 3342 13367 8723 4937 6526 19347 5741 7013 6695 24155 6660 4814 5088 3468 3731 2609 2689 3005 9423 8452 7537 3666 9622 9646 2936 3871 9348 4433 4318 3616 7752 2107 4376 3183 9088 18350 3975 4560 7228 980 6494 7546 6845 7215 6597 3889 3732 5053 4782 6249 4570 6247 6726 4970 6573 1196 7278 21382 6885 1467 592 5025 17838 3943 8269 38036 5268 8029 1560 3118 9314 6678 2000 2073 12564 8139 4808 3201 6396 6806 6564 14257 4058 1140 4050 7054 3689 1102 2890 2325 2856 12469 7094 16106 3008 18894 5901 19481 9153 10409 13060 4197 5527 57791 4298 4684 9407 3434 4853 13615 4972 serine 3315 3325 4407 5241 3637 4421 2304 4779 3548 3975 1978 1017 4793 4105 1981 3011 3523 2946 3466 3305 5490 3402 4219 8036 4790 8654 5900 8098 4657 6372 2723 1109 1569 659 2336 3165 2296 4089 8874 1306 2269 808 1799 4170 4810 1462 4223 2475 825 4073 6378 2848 3107 2018 1136 2457 2656 1527 2326 3778 2196 3887 1691 2226 3906 5065 4326 2976 4121 1373 983 5151 3266 4512 7833 2967 3440 3692 4155 3721 3200 3029 2080 2448 2156 2285 1537 4097 4316 4244 2326 4302 5224 1718 1861 4509 2695 3275 2130 3643 1457 1990 2379 4831 7224 2057 2460 3273 733 3565 4009 3936 3895 4209 2273 2844 4315 3428 4233 2549 2521 4449 2121 2814 794 3261 3811 3587 1020 1073 2252 4651 2682 3201 3527 2186 2656 800 1789 3098 4149 4165 1403 5107 2842 3394 2567 3527 3761 4407 6654 2450 679 2462 3410 1811 1635 1644 1647 2071 1172 1980 3547 2196 4008 5264 5750 3884 2634 1785 1959 2726 5222 1484 2999 4573 1250 2524 5840 2065 threonine 2732805 5065856 5994072 5863394 3316230 4923197 6904380 4601558 9108560 3139060 2005545 878776 4841432 6165151 1259923 1892807 3616341 4520907 2772312 4236890 7140643 5732431 7587181 7415535 3677690 12151768 8418914 13573334 7348757 10004651 1336303 918102 7237226 907119 3218242 3536954 2478721 3251111 15930479 3644773 6001281 1392694 2421493 2744309 4212900 1768907 4426409 1879783 1382177 5449002 15968348 14799954 4803757 2480839 741747 2040918 3562513 641617 1444635 3625706 1392367 3314792 1749728 1911824 2748191 4915131 6616676 2215524 2956840 1299009 3989583 4684586 2132848 3456624 8259174 2346512 2054555 3829085 11189358 3419754 1505335 2463504 2159523 1166426 1131378 1167875 1726613 3488731 3623894 4304266 1689361 3797168 3832387 1260468 1104765 3839717 1950387 2643793 2162730 4068624 875993 1392856 1333387 2298472 7454824 960493 2191358 2832862 618773 2296387 1929779 2650530 2837265 3124325 2136723 1893869 1969769 1800751 2814758 2139516 2077086 3601456 1739051 1835872 794577 4677258 9714541 4079626 789222 457500 1665451 7107171 2703808 1953877 9090879 1433406 1830967 722592 1640984 2173385 2993526 2321674 1117399 3735644 2759461 2852452 1431490 2693368 2278755 3981165 4936247 1295654 605829 1392867 2379039 1751025 496459 875713 1159802 1709440 2993327 5904746 3473744 1623669 5238318 2283696 6707375 4097096 3342706 5906636 1832411 2074016 16329665 1569375 2127126 3690753 2615579 1967404 6343507 1489178 methionine 19573 17545 47217 27910 15057 13703 6892 12290 25067 9960 14899 1812 18934 20244 6477 10483 21122 10806 9235 20101 20581 10035 11382 32217 17060 46560 26776 41140 19556 15135 4308 1940 5036 650 3405 5141 5035 8670 117793 4141 12085 2044 12149 11629 15750 2243 15699 4682 1391 15376 9878 25819 8430 4126 1733 6490 5459 1490 5326 8383 4436 12924 4056 6037 8513 18417 17185 6316 9689 1870 4082 12594 6351 9414 24169 10288 12104 9451 19305 11045 6601 9854 8736 4323 4738 5567 6739 17778 15311 19652 5450 13762 21860 4465 3203 13940 4385 7022 3871 11263 3937 7980 4149 12170 13984 1471 8069 6984 1754 7524 5767 10762 6849 8871 5227 9889 6512 9517 10424 4691 9140 15251 7335 5873 2218 12088 9410 13547 3028 235 7537 25952 11551 6694 69624 7062 6501 2391 3416 9154 14947 3368 2615 23348 10203 11162 5423 9286 9270 14055 22113 5848 1115 8105 14367 4784 837 2190 3010 4176 3304 8951 12777 6027 11648 7390 15833 11042 4230 6632 4183 6168 77750 2720 9915 26957 1178 5223 32988 10504 aspartate 6767 10601 3427 5092 4907 8613 21234 24656 5277 21615 615 2238 17652 12531 12408 8896 6429 10508 17931 87425 14314 17244 41110 16346 10992 22706 10338 18533 23176 18371 13059 3587 31738 4998 25746 28383 19984 17665 9436 12453 15023 12326 10930 5570 11870 10907 20320 6827 6395 23181 37150 13983 17679 12198 3619 25208 14098 2650 13729 28758 12639 25001 13442 12608 16246 38608 11183 13701 26284 4368 6802 18191 7900 9802 17695 7542 27573 13942 13382 10418 13938 11692 6225 14941 9703 7447 4290 31791 17383 10177 7045 12668 11773 9240 12331 17501 12636 9873 9118 6423 6993 3986 6635 17465 14768 5353 7198 7310 2554 7794 17853 8436 11420 16448 9792 7528 5695 5319 16291 22150 9972 1662 4583 11439 2360 9327 32004 12693 5116 2429 2871 17325 4158 3716 5678 8684 9088 4480 3602 4798 3430 5826 5180 12247 20614 3477 4008 8913 10606 9418 13349 6695 3803 9065 11787 7811 2931 4975 3514 2642 15535 22411 14806 7433 36201 12758 29522 26580 12233 13384 14067 5130 18593 12261 4995 5404 7193 7020 2910 3187 glutamate 294824 269023 227086 243255 183849 285643 155925 425648 239299 570445 245039 69034 255318 169574 175841 150238 225968 228908 381334 264666 335221 213876 426250 464279 306360 319386 314030 404127 321462 429668 353405 198995 212569 59172 163907 321154 295285 152717 456555 126645 120049 63932 297463 113094 288056 107718 352131 355353 76979 205270 159058 240482 239203 236037 92375 281604 268685 122845 145364 466203 163265 291016 93621 143180 295968 388782 194451 183602 162272 70130 53392 280948 200669 297667 449896 272297 477799 220398 250535 124857 621861 439109 183513 445572 264857 394306 230078 328051 323837 245189 214633 375181 405350 234039 139347 378951 160651 366401 163613 237393 192798 210769 227406 602810 218800 144443 198523 184627 104948 275891 307171 486546 341906 275805 271966 416634 241358 169681 352110 208214 304264 191493 173104 411241 45918 121934 238880 458592 128141 59506 229264 383171 335225 268314 532944 297452 297636 122337 109695 289550 374229 156326 125048 493793 292864 248279 223679 444581 407981 393126 610399 123476 89517 280128 308319 140990 103524 184461 147547 147946 109618 118259 564896 262568 335079 494158 404331 295180 160510 147124 377525 351030 154333 54777 193902 391768 55145 156389 250382 275334 asparagine 132 134 112 280 158 358 360 476 735 541 41 13 311 216 74 42 132 245 721 643 273 563 405 267 248 706 196 621 223 656 48 92 2814 150 114 215 838 632 237 240 244 323 356 552 85 251 135 26 218 1759 117 333 271 48 451 448 202 289 382 74 323 171 124 80 811 52 378 644 180 152 547 326 363 564 58 98 102 107 247 433 87 102 295 527 289 762 811 141 109 232 69 391 42 155 78 253 489 69 275 249 428 81 139 16 187 9 166 676 854 344 442 275 161 299 462 104 284 160 154 104 306 7 291 482 88 107 74 62 213 97 234 1396 236 466 126 258 374 236 871 566 1147 66 239 504 590 157 205 41 546 692 748 203 13 202 10 65 173 322 1145 610 444 196 281 734 38 45 27 185 450 309 166 428 1124 812 383 328 glutamine 18644 24335 25900 17375 10798 21442 31062 35314 31848 17633 4893 3449 20392 22830 6306 8791 16036 22546 17493 22804 27416 21816 35979 23951 17047 64027 27449 74304 33038 45346 9825 5087 34089 3534 14202 20687 15373 10741 54268 11313 10775 6641 14276 21842 28817 7363 17624 20577 8324 15612 30199 41090 22480 14751 3628 21196 19170 8032 10897 38084 8351 38719 8475 9330 13292 41291 29064 10743 21402 4631 8040 24293 13202 19444 33892 9735 13028 16488 37328 33274 14444 17444 13928 13328 9048 9725 8561 17266 19351 20792 8278 19241 18286 7748 7250 21047 9565 14407 8317 17131 3428 7363 5493 18385 18079 7772 14683 13164 2669 13950 17649 15575 11421 13314 13661 11849 15960 18289 24922 11788 16061 13561 10502 10594 7118 20144 38476 14598 5435 2513 5369 36735 11628 12286 15780 14999 15622 5589 7886 11433 11540 16173 17489 14852 13252 6063 7438 20029 12679 17779 16365 15779 7149 12233 19582 19276 4577 13714 10297 8949 10333 15100 24285 11049 76650 12543 32501 22021 13400 19296 8565 9251 32294 7069 15339 22614 14745 11051 26114 8718 histidine 25668 28082 10738 28201 18164 46935 63925 45831 53138 71298 13518 5634 44492 32131 15466 16818 16118 31491 35202 144896 42644 47626 68485 103809 33923 78696 39785 107825 41457 85445 22507 7278 21361 5493 22381 27711 18049 21234 54756 20270 36924 11082 22825 20949 38374 20587 52214 17179 16827 33996 67829 64341 49167 35331 13605 45423 28122 10132 9480 38292 20059 52174 12558 11943 35414 42829 19461 23749 28139 9401 17149 62342 21556 44275 125601 34760 41951 13883 33371 22546 50358 51481 20470 35118 21649 23250 13249 35853 24755 24720 18466 38434 46307 24511 18677 44209 16523 28106 25316 36105 27858 14172 16536 39572 54069 19300 29157 30051 4206 15239 20620 32735 26018 33398 21083 27277 29747 14625 25219 16763 28455 30658 18868 24957 6282 76643 41288 29572 10068 7576 12695 45096 14020 20025 27399 22348 27596 10901 10649 26257 38575 46391 4902 71511 23177 7155 10590 33451 37521 23488 42518 15984 8613 22828 26002 22681 9310 13871 12145 11538 10566 23472 47454 23868 51674 42533 50271 30016 143749 169079 33960 17228 188217 35286 14370 36743 15083 16631 14701 17174 arginine 40334 37266 18998 61319 54221 35937 166134 69888 66288 81819 11428 16824 133905 92076 39098 41849 56215 502318 41256 30716 64561 87958 121139 116994 56660 124863 41545 148042 16167 273851 23941 31332 44848 26512 31525 54764 50095 58281 68048 233658 169649 140375 119225 66027 92463 36486 59450 161558 42838 259366 459184 120275 137125 114258 57842 144736 121270 62333 144515 227531 214606 318490 214231 199557 323696 617314 157662 244421 88053 139422 234393 337546 161336 245699 533404 313401 51232 42237 48196 83476 156258 59577 46039 110142 84320 113901 38159 67327 87639 97634 86747 154790 134831 151116 79716 115909 47729 58190 58195 55867 36257 41162 51002 167471 30907 76802 29844 33169 9689 66154 70980 93321 38625 139600 117136 166963 158311 183598 360512 295245 50514 58787 43463 62786 20463 53628 132168 72527 77011 38416 40419 68358 64548 92784 161202 220468 196784 54401 39464 69824 122845 98370 15267 141996 77599 26417 70864 152566 85306 79506 109978 57294 39801 76873 108631 80037 85002 77311 14832 29031 40098 41528 133950 122443 232060 46540 84058 57133 118632 218298 338330 186023 71939 22060 58429 129112 163897 54038 62583 221443 lysine 367103 179213 168477 227362 132457 196408 554659 209100 499706 308112 146749 40064 213129 165072 128919 137430 183618 175290 197239 206226 316792 223655 286130 469986 205889 479068 260887 484020 302492 404094 106188 40681 138268 24436 177608 152336 116187 189814 854077 106866 311887 84875 216742 115118 217839 98386 216194 81345 90957 246592 436475 280998 344254 139823 62969 253165 187584 54299 68616 187422 149931 270736 82702 94957 235183 300358 114540 131227 160214 41763 58031 280919 140746 246605 528541 243083 184352 102593 188038 158019 213076 185666 107525 194630 135920 116049 86174 154903 178420 170373 148704 340919 313349 165514 130993 386532 109853 201534 114246 244709 225934 135057 134565 262069 162932 61993 168269 185270 38159 110520 127832 184298 203036 248199 105532 129395 166311 102565 219576 154164 213144 233894 137422 198260 34158 94486 195873 202219 39045 19321 98701 291251 73320 135232 230126 178533 165425 54700 70559 189805 268502 38027 23277 603223 169231 60747 87086 225507 217565 146264 280148 128618 37365 188129 153706 148216 33997 55683 51201 65579 110579 128011 361622 151845 385842 221007 164030 162726 123551 141889 174009 126640 150928 44604 95174 176507 61956 90676 156464 148579 valine 25850500 82499985 60440857 38155671 37700812 56405618 239569371 83596254 331272060 33549906 43151394 7443253 53881146 132308897 18702217 24902678 26416381 595881362 56826937 243707528 60328623 77452098 258668246 74616046 59561785 303885356 121671637 200244893 116230067 81807033 21898663 17297764 244022576 33550268 94510902 60165439 57273103 757566033 1397595751 572592874 522023588 478115756 440756704 30513872 30437732 17815167 42019705 22820205 46992921 574334828 1183300030 394433828 68161507 29334141 7874141 10971992 118896933 10114700 24039731 41659697 11086714 36369603 63126599 13533704 21289147 52723523 43104817 163610985 330762337 118202510 275422042 47160907 36705466 44675713 153716607 17181121 34128168 73853003 516161090 23131910 23971156 13623408 21497996 16850715 11029253 14852389 12875615 262383726 324831419 30258098 12338771 21613469 28876349 11162316 8170335 82729432 22998325 17801630 13720701 25230405 8922751 35042749 11646729 36016098 168427949 25899947 16489573 28300464 5280642 50967317 47263463 31200992 51202058 35620173 33848843 15506545 24087176 31964387 500133230 100076999 37635055 18959932 13826545 20220514 7385854 166694990 330793276 22318423 7342326 4298096 28297873 116464483 24083878 23752142 258937700 25141916 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16906 taurine 4399 169048 5060 1524 2812 41153 127476 113952 92637 3940 808 1266 1577449 1164569 3282 3462 3240 18533 60254 340375 100366 149203 292863 45072 24574 130809 24027 41812 19645 73678 5453 1584 238476 41400 107772 82890 23086 332609 1103129 310788 235471 247653 796635 2876 5606 8332 1387 12201 4935 71671 377441 298951 11515 6098 440 3732 36860 6837 313925 4644 4985 28734 146744 83005 2206 116903 23788 264881 14866 96154 363658 92895 40820 66397 44733 609 2586 38178 630291 934397 1177267 669072 870908 823086 2627 3130 1956 827495 730928 964 709 9887 1102 1325 16665 2421 7360 8361 1102 4375 5061 21884 3243 3463 134997 40069 2609 5198 883 18059 9796 3676 8691 31280 39512 1516 1779 1620 20303 19357 4205 2092 617 1908 500 374052 253656 1810 459 451 1977 226463 848 2172 8376 2654 3520 1196 5089 9056 4660 664 383 6314 24770 619 1224 721 283 1110 1987 1056 757 1110 3226 2083 763 2277 1035 1029 160609 323700 5050 1331 268190 404 662635 431958 21071 112321 1570 1055 1115362 79833 8376 1766 121225 227081 361 2048 5-hydroxytryptophan 6013 3616 3635 2410 1025 3934 2949 2202 6664 3456 5537 54 1462 3054 1462 1507 2589 4133 3872 4291 3326 1738 3266 1670 911 4866 2418 2790 3009 3396 1510 538 2629 41 1843 2038 1644 1411 4986 1818 1850 866 2297 913 1096 1481 1769 305 1516 1092 1787 2870 1777 557 167 3824 3241 445 2943 5266 461 662 1535 2095 674 3799 1114 957 1435 636 1490 3038 1635 1909 1944 1025 1438 2923 5419 2360 1161 1278 1958 1863 1181 1770 1513 5154 3416 583 533 1445 901 257 724 662 1437 3138 839 322 1474 1777 820 961 3593 1429 1868 210 61 2065 1811 1184 1104 3136 2047 2089 195 552 2777 694 1727 786 210 943 79 1478 1842 966 95 802 7184 1205 767 1875 772 1057 31 708 1217 1465 434 392 4693 3843 825 473 3901 2147 1313 1998 569 406 3727 1560 1274 55 273 99 223 543 2022 2032 1071 1915 763 2170 1236 3199 3337 3143 3486 3116 1283 600 727 1888 2001 446 848 5-HIAA 52905 133283 5030 15882 56010 8661 26667 5386 89813 44067 191508 47848 83336 75212 12596 9900 15447 61747 8230 3972 9058 10861 17323 16363 11862 17793 24050 77925 47184 8564 24019 46097 66934 35797 5926 50307 17120 4208 2910 98253 19171 21974 10550 25277 10809 48549 42448 27505 3198 73722 6916 41567 36304 21482 31323 15659 6268 19037 173312 9061 18717 28874 5647 10042 38207 15129 19588 26440 22414 6585 210435 47736 7618 34102 14395 20996 58182 14506 24894 182983 12660 1754 7329 3014 2878 2856 4438 19162 2302 24156 23818 27165 24645 10838 85590 17343 33945 79715 6642 2257 29825 56522 24082 35606 8820 6226 32219 59733 3784 26629 32362 41093 40370 6539 23439 23656 33593 21594 8310 82070 51385 25190 30597 29628 16469 26856 5213 32403 8459 11686 21863 171958 4052 55179 58650 40730 23550 25842 6736 95901 44558 10947 11769 42450 23904 26574 111411 4971 7043 15401 97656 112620 885 2109 4814 3522 15692 7516 9047 34107 2516 1686 119388 57731 10531 24564 19333 16207 40798 13906 7822 44092 15832 16342 6863 51304 3938 31439 57128 59876 serotonin 2743 1806 3224 2550 3141 748 1093 480 2393 747 2473 669 2449 1250 559 818 999 231 170 14156 694 1605 996 1289 4592 1458 2270 749 2145 1614 3016 662 3384 40 1192 2670 14075 2951 5526 213 248 278 668 4063 3019 848 1980 363 258 1438 2461 1258 1494 623 2421 4587 2233 230 2939 2261 1507 767 986 589 1428 1904 859 436 663 182 4245 2505 915 1161 818 1307 824 1046 2238 10004 678 380 2526 933 1274 1092 2987 795 1227 2543 853 1584 928 1886 1476 1326 2161 691 2861 1926 1558 5313 2225 1747 1006 483 2454 2006 628 1607 575 191 271 804 1852 2630 1285 2296 1159 2747 2720 1935 896 646 979 625 98 236 1129 479 1282 2192 1593 647 2573 669 567 509 3147 1446 449 863 804 765 2389 1197 2566 1819 866 3434 4057 10733 601 1490 1300 612 685 507 1299 1336 1937 324 9554 2507 2272 1459 824 2113 1571 917 2255 3832 342 1354 336 614 98 505 1691 3422 GABA/alpha-aminoisobutyric acid 2352 2475 1664 1048 1140 2092 41562 4710 47703 1826 1433 479 2297 7588 375 404 1005 138431 6205 15774 7876 25236 32399 2844 2698 52495 8688 13839 44437 8947 3290 1468 24343 2695 11221 8955 5692 8149 129864 8561 15703 14231 36942 849 1650 2411 2752 1095 4902 18926 37500 27503 22568 4215 713 1262 5604 817 16475 10452 901 2100 5637 1898 3129 6517 3466 17340 4890 8995 25040 1375 4188 15193 15979 309 774 4031 17809 998 435 562 431 398 458 333 317 29828 30952 426 711 756 977 323 346 11962 1853 2021 670 674 532 681 917 3421 11566 3141 1453 1652 431 2910 1881 788 1306 4206 1671 687 585 517 7963 12367 1061 781 946 1211 592 4440 15614 603 336 456 728 2795 439 1580 6511 1104 1543 685 1336 4813 1002 507 478 2452 2075 436 364 1175 804 1485 2287 2158 411 745 975 1004 312 527 525 705 6162 20608 8099 389 8694 708 4036 3764 20223 23084 784 580 45057 11803 1275 1690 11897 23210 955 1890 dimethylglycine 340 134 900 922 662 501 436 750 221 755 276 1023 1137 961 495 550 663 391 297 230 195 400 201 576 798 734 434 594 787 429 402 194 129 106 262 222 176 176 419 172 163 201 306 413 723 699 695 694 642 181 143 232 812 157 254 458 687 3066 1031 1034 487 846 652 1490 3279 192 183 182 63 69 305 148 526 110 336 485 391 284 251 322 42 1276 505 717 574 387 845 917 799 396 609 170 40 126 333 380 905 221 432 585 100 134 460 388 1157 395 975 878 96 479 625 1450 1733 600 686 1191 444 1207 476 353 297 1844 39 196 365 92 37 1039 4264 1142 1588 1077 1777 2943 234 2162 596 425 200 481 237 207 566 464 625 57 56 66 212 155 340 1195 504 338 375 611 1076 217 159 267 110 285 597 233 647 473 176 210 96 618 1047 263 ADMA 22246884 21520892 7171882 6142487 5379085 22087473 20605954 37340635 39132163 18649890 14723627 2091689 13125452 23665329 3664078 3003580 12431482 24261226 15433686 12345998 14869774 30025211 15688995 31317320 17552881 24391220 35608074 23056677 24948351 34243824 13847506 4992236 18379894 3489820 17551921 11553146 18287839 28973807 46480919 12080565 36464792 9359310 10683769 2331264 8515271 8337728 6826935 7900730 12517068 10883803 20281192 13846800 13424037 13507952 4554362 11743849 11292723 4076158 7026736 6580051 10608679 26115580 9430373 6444823 10733452 25057504 14847088 18608684 11842852 5764244 11933759 9704640 8272604 6457408 17171626 6617421 22549258 24345363 30915286 6942568 9474836 3224784 2790288 9578950 5451758 3702345 3510085 16143178 11246584 12677589 5847740 20205716 17382028 9763456 9016168 11990661 6584138 16422107 8552817 16471715 9115898 10786455 4916704 10498642 17520101 12124695 17232023 6581084 2771464 9928526 7738979 6504758 9866724 16315099 10088983 10721334 4785551 7599657 19495886 11067233 12866520 9798195 4099447 12306454 1770346 12212516 10218920 9257703 2782181 2241449 5986471 28002691 3892781 6613777 13505225 6552323 9260407 3008381 10450268 13886602 9082509 3396648 1265273 14920342 6752362 1580162 3957794 10669334 10384150 8475434 25321169 6757336 5116739 5739656 6941885 6932578 3396033 6406056 2957258 2756588 22700993 98266731 11237476 6906752 18415119 20005782 8795419 8498638 36044293 24210177 20568135 13521278 19328128 18003328 2703456 5269093 31545301 19914015 4105130 8092938 SDMA 70296601 23375915 3406065 3626105 5084370 3559793 37412973 12493329 51264072 4099087 3703805 961694 106012524 132224534 1549074 1581584 102416081 67676833 48076157 55546753 23956674 53520964 56651505 22757577 20996622 42846269 37878316 22259902 39713034 13290763 7495659 5825954 27284798 10088670 24244476 15692426 8400963 55421739 111896105 63261345 50140366 39280949 72948517 2775023 4140524 34573458 61184421 5369630 29735465 9230169 24626811 64009119 14793678 15359605 1167545 1731219 11612117 5824634 7239558 5947632 16696053 52057003 10559312 23872605 12630701 49730886 33604529 21883534 20857866 24898436 27822947 14748764 9860917 13561643 48918033 10378041 5302943 29444863 124733822 17870584 7161178 2742574 2583616 4902681 2605156 2347214 1423730 54861590 59238043 7746226 3258408 6544039 8625523 4720074 5102340 8517370 10206272 59815896 2214438 8766600 8124344 7813249 3001611 9172631 22856824 21587293 14435549 3441413 17297371 11178811 12557736 2031509 3154624 17450969 4439745 4615500 1853157 2236725 52312016 6333837 5260748 1713644 3182904 6798106 1132155 25116805 47892078 3155683 1860761 1272977 2465479 33414605 1637136 1525366 3994517 1721148 2468357 1508086 49128957 75077814 2643024 347216 418345 40740819 13485666 702219 1456763 8753116 2970044 7999566 13113973 9263155 1184481 1190154 1363270 3994099 1564362 3061304 1248544 1916723 29796360 26351228 4806693 2546060 31882005 2287269 30081571 37001933 33713978 35266896 10331619 4706899 35392384 18705209 1132009 2700622 34522164 76107356 1516340 2780207 NMMA 35335 18989 18015 48009 43489 38502 53562 69792 52120 34606 23728 5366 20017 19098 12169 14477 19851 122142 21384 11981 23545 49164 35535 20030 17504 33219 21297 64866 24007 23733 10727 5018 40612 3611 24142 18874 20798 25101 108095 18332 21958 11741 20179 7618 28898 8377 18230 12374 22070 10337 20337 37448 15410 13583 3407 15585 12870 7415 11133 59089 6377 18575 5551 4193 16339 29773 3481 20580 14405 12338 13686 26879 15044 6090 25270 26471 13560 45084 37419 21573 14302 21041 9074 26469 10999 7074 9992 27130 29895 11233 18891 54440 54355 29726 18233 40755 13658 17766 16016 18490 26945 24881 16894 16737 18218 8871 19966 10756 3635 14111 8630 20006 13644 9715 20414 22074 5355 5986 15491 11060 52717 17655 17225 20033 8115 27938 15584 22517 4256 5534 10964 34842 12155 9688 29728 9849 15625 4259 16244 24777 14610 3495 2318 25874 13530 5693 10330 17712 14898 20995 57814 22399 2841 6577 9963 13724 4138 5388 5936 6349 15909 25030 15780 17561 57545 13294 33848 23995 15039 14446 26352 17149 18249 8016 3426 14113 12089 8615 12773 15133 anthranilic acid 5635 7999 21347 9833 6162 2406 1947 1795 11999 1044 5415 3541 8201 4878 6454 5076 17069 1394 25 296 6747 168 36 3371 2544 977 7836 3442 8588 3309 5430 4245 4372 1589 1825 4080 6416 475 3766 2746 1144 833 8761 163 680 1871 1690 1949 1084 281 1128 4176 2465 141 966 6889 851 330 1437 4868 2538 295 1076 4917 2115 2525 1445 16302 1754 1429 6225 2475 6873 8631 3364 4254 6771 2876 5475 466 2999 3284 2115 2669 2247 1883 1146 283 4803 2734 2993 4523 3110 4497 3414 3131 698 3411 7838 5436 5396 1739 3852 7686 102 4149 5209 1325 1970 2484 1748 1746 3760 2941 3902 2332 11903 5323 586 2193 79 8239 5720 3664 3185 158 3837 2651 376 5366 10218 1187 728 3241 4881 4415 539 4166 3155 1743 9210 8322 2518 4323 3433 1073 542 928 2836 6950 10189 349 2063 3439 2642 1230 1699 3133 2891 723 86 4527 2744 2841 4620 7398 1379 2275 288 3242 10874 1397 211 3303 4642 1028 6598 4799 kynurenic acid 51097 18264 7013 18702 12673 28717 26479 81940 20689 8278 4699 1578 5161 6778 2493 832 3091 15263 29014 5412 11870 21410 25426 11592 9373 16712 8079 14595 3358 12102 24255 21080 33158 12496 30063 28577 10550 45505 79806 58681 25720 29463 85825 1774 749 13116 6573 2641 2355 7406 25643 25854 40288 29983 1220 4808 46603 18364 5974 7550 39344 77960 39394 56432 76987 44076 47444 6557 5978 16401 14679 7992 5523 19217 39411 7020 27051 35459 15738 54218 33809 5866 9354 23792 18738 17258 18137 15853 2733 1525 1183 886 178 439 7598 783 20178 8363 23002 38616 2417 7864 5332 10438 33130 3775 1882 60278 2698 5928 4394 3481 5984 15380 31918 40691 19498 36982 18926 1383 50218 94515 31035 44433 1827 10981 264073 45408 38778 10509 11216 24920 33021 52012 80223 38150 53363 28056 13166 18650 558 14052 30077 42257 10603 6358 4557 1075 495 13086 72177 2275 7737 40079 21772 34751 21311 35879 2180 1047 4750 12391 30900 7919 17742 17511 11110 7160 7477 9121 4425 2120 4201 3264 2625 653 13624 18333 9755 29403 1-methylhistamine 3925 34985 2409 541 1111 2776 2140 3873 4577 2733 3562 379 5350 8918 1210 1569 2108 5900 17322 4310 1571 2493 11414 6359 31420 4651 4206 1249 10404 6446 1950 318 71067 124 242 1794 1140 2500 1175 802 6861 1977 875 2439 1007 1314 1155 1516 887 1452 2252 254 705 2118 749 4757 276 2148 3770 2223 3407 1599 1679 2642 4037 189 1093 3963 381 3372 1375 1321 65 804 139977 31423 86947 2480 1003 224 839 2435 715 424 975 1329 4817 575 556 758 340 405 343 1384 332 2218 1410 1123 436 2519 638 14999 2580 1172 3578 513 6076 9567 2354 884 1740 2773 1111 1320 221 669 10641 862 2089 807 538 893 13591 724 194 1232 10375 3894 463 52291 553 9 2564 1431 43 289 2161 2349 612 559 105 724 298 153 571 613 884 822 1929 1936 3067 16331 852 109 1439 153 2577 746 1611 3883 18395 951 1390 4054 2900 1067 8816 12593 2573 792 3834 1032 591 9288 2377 522 1852 1273 carnosine 743 79 90 100 3243 53 218 21 1724 2578 1356 322 467 556 521 27671 2826 8166 3428 3626 588 17866 849 4325 5352 3277 11 5158 1701 5029 23462 7173 5725 854 908 1 3 32 1525 1592 540 762 548 1841 120 78 1208 85 3537 1638 472 56 26 1060 1781 6740 58 24 183 286 137 342 215 1305 1124 694 1 672 382 165 107 1034 30 376 1611 1215 538 1427 114 908 38 56 1186 25 1213 61 35 1 33 81 579 2065 1 4 303 1086 1 6888 67794 503 93 105 19922 3442 931 12401 4836 805 315 histamine 1066 274788 127001 1912 3362 14814 34521 37963 48459 42818 6043 14122 76291 46805 956 773 12181 68440 302802 51982 53157 18743 90589 51290 321203 39966 44860 28845 613835 41539 81984 8694 461309 1283 3594 2509 8302 25584 78347 29648 23342 139201 38033 44907 73509 43071 45464 29484 45354 27685 32142 51397 6338 7751 25057 23756 5244 1626 24490 2193 66534 47427 25039 9561 70441 50159 6130 24158 45682 8195 86437 70148 29300 8482 18223 26844 443554 223522 176289 15671 5472 2404 1051 1704 1448 1540 911 22711 38281 889 1077 941 1172 699 504 476 5661 11501 840 1351 50152 102286 858 35303 22176 10882 27926 30405 204522 51364 38846 49770 288 14561 21125 70804 406 1765 28027 46694 55617 18344 51885 67302 192691 6082 7681 47259 613 1076 1127 340835 78525 121 906 85 1793 1187 890 910 19153 1148 542 1580 13646 279 1640 41805 99670 657 893 19498 92594 597603 71369 3558 700 595 928 397 75973 58915 148712 700 7187 683398 32714 20616 128144 104350 65402 49349 75555 35422 31366 227350 27274 9077 46405 9860 3-hydroxyanthranilic acid 1379 977 5479 2350 1168 846 169 570 1548 626 2511 581 1519 2273 2072 2227 280 2196 4331 1887 393 357 1363 2024 1099 1024 1101 1202 1903 1297 284 52 917 114 884 209 852 593 104 30 233 588 565 355 922 1194 160 145 237 619 133 706 734 1750 879 744 720 3 277 92 307 542 743 76 370 703 407 3 1534 735 1299 406 432 1551 1079 1369 1321 1234 854 1004 1580 1892 692 1507 779 497 1380 687 1291 449 905 2175 1318 1062 1460 707 1197 2029 1339 1547 1192 1791 181 1032 3132 427 297 284 2128 824 573 1168 2651 1783 4269 230 609 1918 1093 626 858 600 652 415 1411 501 248 1428 911 876 802 1537 899 912 439 1997 2344 530 855 1099 479 2155 1199 1361 727 737 1677 1163 1373 223 1224 673 1292 430 1228 1169 966 168 189 3719 1789 2017 1024 919 546 1740 205 1495 2668 301 2362 1459 2146 423 170 3227 3443 N-carbamoyl-beta-alanine 1784 1681 1897 1065 1124 373 2610 1067 6755 424 4321 154 1727 1713 532 267 1009 4020 2691 2988 2956 3598 5639 941 506 2912 1855 3256 1065 5682 633 241 1521 88 719 1086 573 5932 5816 2994 4000 2973 3711 655 330 956 731 236 368 1570 6551 4188 294 610 105 617 10244 202 14085 383 277 883 1678 1436 669 1428 530 2212 29981 1501 5607 666 450 810 930 368 628 1251 5803 361 562 456 611 323 3370 673 559 3699 1924 314 664 700 847 157 109 400 414 2812 631 675 1048 2193 810 1344 466 470 371 499 199 246 329 364 439 269 239 1353 53 1718 777 537 2239 475 180 624 149 1217 1375 714 90 62 368 1540 661 573 7609 380 563 158 1173 1248 278 411 649 337 4369 389 608 476 119 1307 1804 414 54 635 610 429 12 90 404 437 1207 31046 1823 643 4716 782 1057 471 5868 7538 890 1198 7194 2492 892 2601 1653 2398 1652 2442 thiamine 305096 302468 572969 332182 297350 303687 73534 280431 252150 318819 292530 39419 581249 546887 1133599 578584 352341 211213 361885 238787 323905 200593 325738 458299 322285 417614 425201 584038 478759 374758 313359 122370 26105 56405 120566 269925 331234 117327 887452 83932 14296 52250 381717 338543 387060 551082 542378 84141 67714 232882 158559 271238 221510 101759 97596 211623 221784 105545 139663 549857 98588 297264 2569989 225235 229992 426729 599137 279281 256121 64696 38712 280278 220708 599830 471494 121477 320091 275630 246486 247250 335076 529344 356668 278278 358215 374843 475579 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11572 30942 11097 10113 8061 20431 8869 6951 8183 36165 28797 13940 29935 5772 7041 3203 19122 143318 114448 4713 7538 5004 5729 39777 9991 7171 11357 7548 15076 5768 16665 18624 14879 15271 16970 10417 140739 62892 145554 10495 11633 10463 7438 16840 40691 24945 88912 3389 23571 8577 25735 32294 32080 323554 12571 6973 10234 5741 26352 6384 39750 43313 7049 14963 11945 10889 5146 4509 74429 46886 7623 17354 7092 93699 19250 79138 36884 14348 146576 42404 25598 11476 5053 8379 58955 3779 10157 15321 13534 10495 11724 7657 51527 107195 56089 8534 37523 16459 41039 17911 2652 3457 20946 9939 152554 9330 30852 8181 127664 63138 6753 14747 5098 19790 19743 6657 60656 89797 6394 22076 betaine 45773881 70864278 62094184 79971623 46824180 70408456 106619629 132089842 90924950 58097489 41509580 50026528 39315443 49936771 43396800 63695541 62877688 50458613 48161070 52093000 60849702 57556328 55956141 79414976 67584544 58011005 145497625 179442740 71161265 105388186 53813152 48094484 177867047 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1107910 308763 594025 204072 576950 295179 339590 295596 226849 630124 221053 167471 236243 688554 1289894 256528 377426 346795 222981 671961 94755 864134 251790 970513 92956 889283 73039 1105755 176703 262236 145519 187612 483782 50669 32937 325399 679810 371522 349036 1101859 185933 218008 47546 414522 193725 571796 248112 299922 730282 252188 488141 56554 766515 1165446 300842 757824 80963 57594 133358 249355 98696 44120 88972 48268 44468 204005 352972 292812 91285 167286 164895 199733 115207 181608 484718 118759 124575 379447 95288 141232 116894 366918 177410 128167 85220 phosphocholine 91518 17379 663702 231095 122766 1801441 40065 503835 34640 17554 89583 15706 85096 31410 310285 209637 1463541 325730 516501 834069 6343624 3905767 129014 719222 7308323 175080 4209882 569822 1485350 875813 1052638 9814202 280161 1949144 4496210 1240283 1931162 71267 4420368 1801727 765756 715525 472915 366414 13776 49559 60906 901695 409845 697471 1815594 498911 32550 98059 1600399 426984 1501537 92880 395527 1351143 416419 218920 290284 1023638 156761 147799 518442 411671 819960 137376 150074 126229 736780 432282 958068 667467 3336808 170192 842752 212105 320348 1507765 244523 1387002 119608 1301707 1010183 83132 519832 1347579 571243 967768 1051919 400020 578476 1207249 66159 962549 434562 564119 70646 810178 163892 875294 490389 272886 190362 218625 993454 1333112 1264616 461570 235306 399166 430295 481611 1996919 118433 480696 22105 644410 488406 12564 93074 521895 104540 112188 23482 227669 242570 42833 884233 1970930 2465074 4587675 941144 1252259 1442822 849248 1990791 230134 1804619 621709 36280 75392 123610 207553 61813 156226 52641 465167 157779 25008 36758 89416 10602 43431 304869 1598226 5098367 147863 1296453 187257 59035 347837 540155 522817 44152 65459 747024 68072 892531 892673 157890 137412 234664 110161 alpha-glycerophosphocholine 5880 9639 4350 11189 4971 30810 6706 13129 21093 5658 2798 4032 10821 14985 2508 2021 6325 6957 21544 23801 18254 33172 26220 20669 10229 83443 13906 67456 632789 63109 8566 5716 47968 1961 10482 9359 106301 9626 60785 25084 56298 3402 7573 102718 15873 5511 476565 291929 4207 27354 12485 7653 7587 211505 2337 636919 11821 19517 10482 4743 2712 17492 3952 3581 3540 523969 6556 4358 8588 3371 8022 6229 531442 368161 6883 732174 12856 5632 17049 2820 4037 1882 700636 1951 183025 8654 14758 7641 865105 9672 389066 235435 273403 2098812 198749 250892 661069 580946 756905 2058910 829217 118838 606725 13985 608789 936590 22171 631229 471642 331302 12586 118532 19877 758509 2301661 3518 1246330 143983 1558026 18689 1315089 3222 488623 10466 731898 10520 12058 66467 1371 9350 109741 15400 92737 188232 95269 203666 14185 15987 556732 11624 42557 60371 13266 31949 190350 8206 200225 242872 128997 436049 7887 10748 14818 441597 9136 14439 20706 7461 16208 17322 44515 27257 12480 15435 17121 18534 23690 14768 22103 25959 16099 23084 15812 12787 7337 29432 23374 9418 16985 acetylcholine 320831 143617 167545 192398 193966 96536 47948 44656 67779 125562 81934 19514 168329 104907 317244 380528 259823 77282 61555 29928 67975 20147 15865 121210 99093 140762 60223 206966 190872 85460 54940 57767 403311 22991 35473 124707 168896 40136 277379 85338 65096 60239 254907 304408 347418 209861 1433096 1383408 76829 61165 7417 36144 169365 109284 78302 46893 80337 31652 70557 343856 38970 76563 6073 44517 64316 50970 27541 1662713 80526 25906 53502 1434939 1515960 142245 299273 227382 344840 65284 137805 1054851 998603 1882030 2088408 2272078 1140097 393189 1199812 115491 81183 1059009 261663 239287 648664 232067 104894 268761 71870 74330 80119 223365 272195 1080000 104230 133106 36110 49844 114108 151222 104151 434943 152881 368307 325072 31287 107117 135568 218820 346397 73084 87775 82584 48585 159937 130826 146719 24071 88111 311521 59792 40539 265618 204348 14912 235243 858346 330480 255820 171786 109518 126195 174712 2269351 2198194 39551 62057 330258 233039 125148 69413 502540 541475 295748 65360 155616 377825 147144 82310 148498 744953 249922 36224 21322 1219849 499267 256728 216873 75557 387524 24412 18350 301363 268612 4544 44971 9412044 364790 15011 44540 858397 424653 spermidine 3642385 3229454 3981963 3429134 1320296 4125322 2491690 3727850 4793869 6596315 4878728 978978 1797868 1274757 2918279 2192534 5779584 2917180 4856225 3148894 3184438 3362967 3604873 5589676 4825692 4901670 4000313 5523996 4022249 5215644 3977349 2703587 573269 998891 2416523 3374125 4156889 1212608 5103522 1316975 551230 821393 4312333 2176973 3441717 2009827 4551535 2378786 1501667 2153964 1667060 2647508 3466478 3402727 2309490 2629925 3952416 3401740 2118372 2616166 3137895 3881455 1517854 2982357 4216543 4498205 3194107 3221233 3453531 1266161 827810 4163067 3459801 4066360 5680136 3566516 4141062 3340390 4000112 1534587 3483844 4199761 2207356 4139721 4046505 4736195 3153622 3800571 3849736 1439129 2606495 3670862 4292924 2295476 1622527 4268652 3283663 4081943 4551602 5082054 3832027 3183226 4449913 5157598 6011398 3314211 3723467 2817831 2933705 2983359 5768918 6257616 5948411 4873217 2746326 3433225 4269850 3260829 4415974 2952567 3279887 4231604 2153796 5173337 576709 1917414 2030303 4022797 2675422 1274755 3190115 4224506 2565502 4536578 5355952 4977704 4716706 2373583 3879542 5534353 4272102 2103622 1625684 7593938 5546160 1712152 4826100 4971246 3394012 5809762 2182219 1686374 4567443 3811978 2470102 1856955 3123172 2423148 3236510 849355 1784848 4546317 4989508 705206 4266639 3364553 2880495 2768878 1681714 4595234 4960855 2266222 1562833 3052105 3825827 1107794 1734439 2249547 3408209 creatine 677 1525 1144 2097 1450 4504 641 5934 539 677 365 1277 1087 1545 6411 1380 2646 1321 9456 12354 2678 51323 54039 15255 5719 3072 4683 18800 7594 152759 391 989 230357 1303 78551 1078 661 313446 189650 353922 138115 106727 3958 516 1533 7843 949 1813 1182 26992 422710 10147 1643 3163 759 621 2778 1860 1062 2753 1161 3212 2344 1667 1316 10136 57403 9270 4408 228576 290967 3554 16873 1239 3759 89 636 18704 7136 16324 579 1183 413 502 261 374 543 5015 2276 2226 677 608 1498 741 641 1633 1608 2186 288 4637 304 281 276 308 11719 2329 1037 699 399 1860 1147 40 1513 624 711 87 110 749 1042 1283 1902 908 167 541 1991 13600 1255 452 314 248 470 2010 983 474 728 1582 322 1069 1375 394 507 4502 2525 608 1139 398 477 234 415 1040 470 915 491 1062 934 1181 1225 1996 933 506 120810 436184 801 6766 634 3219 3611 13832 241485 341 666 56857 137408 464 89 736303 8355 1034 740 creatinine 12854 36200 41624 6929 11123 48236 1470792 1533255 673077 2675 5108 5670 9774 1044150 8819 11811 9578 8460 136477 1623396 165302 1051352 405383 70788 65101 1141752 88531 100608 136362 472749 1322 5455 739062 38461 344635 90167 6109 1037007 1020658 383798 2442143 702157 267410 5940 17777 799002 118548 29088 65660 698298 1323042 293710 33680 6015 38428 18726 824602 11967 2772 7920 3367 10390 167257 3165 2395 19960 8850 38022 4246 143714 209138 4536 50719 1684 2657 1243 8902 1138849 1105819 18309 17884 3057 5611 2950 2022 2415 4057 4397 7434 7036 4819 3809 3296 3208 1508 3912 2049 5703 1452 3303 16718 11583 7832 1550 172569 12366 7037 5060 4168 212244 7156 5155 10205 20079 12015 4128 11247 3719 91055 2163 9959 8788 3756 2765 14557 548659 760725 4873 1853 3401 5102 49590 2675 2503 42793 2045 1785 3554 23264 10469 3342 2304 1868 11044 9867 2297 2779 1779 2596 4856 6241 38231 1457 878 1637 232013 9705 10468 1926 1872 597965 2054792 5441 12489 305972 859 76865 115618 1208936 1202020 17979 16846 441738 789651 2971 6867 1022442 72394 2497 6424 trimethylamine-N-oxide 5210 4390 4079 4645 5811 5963 6104 6059 4808 5266 4968 6550 5849 5172 4587 4644 5084 5309 5926 6079 5885 6119 5824 5592 5824 4637 4969 28685 5430 4833 5924 6596 5572 6316 6235 6056 6061 7495 4953 7083 2222346 7973 5924 6212 5223 8943 5688 7283 5599 7065 7062 5421 5589 6687 5942 4479 5424 5608 5794 5948 6092 6167 5975 5222 5977 5154 5696 6368 5688 7624 5530 6080 6062 6638 5866 5478 5290 6214 5605 5551 5985 5458 5078 5355 5240 5193 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213389 510509 157175 194482 394685 154671 164317 175079 434526 214993 400104 361266 327966 173070 447781 184333 441908 410704 528510 511913 468550 441978 439690 409922 426996 448779 440761 293569 396874 320474 445121 525510 368578 362828 430568 577528 414649 417656 329129 502706 459374 211846 333886 378675 412191 748404 348844 226807 403753 328942 343660 326841 236037 431617 242507 367069 431281 186417 422684 465423 459094 415275 381836 348171 457630 341573 445573 345211 201776 326012 418590 436729 236451 519583 571856 487701 533766 390393 396811 394218 500969 295519 376560 349276 305438 262074 339049 272765 356582 364482 340795 344447 460705 856102 343826 312475 370966 378187 343052 329903 375245 376131 343711 371967 330305 300818 adenosine 55300 52123 15337 21952 22894 96351 146884 65775 83791 73427 43182 76945 70752 45676 68403 37051 42951 138906 164125 111910 56279 238066 163218 442111 636230 419454 73231 623934 163473 248401 107993 358419 3776683 146922 548195 164456 211316 246578 119696 618346 455035 349688 199061 302801 322177 323782 88913 81421 89797 104231 131488 597334 75090 98258 63296 63210 55709 125176 92356 105725 271852 257616 142059 58465 201790 130674 96402 129602 81177 120555 208463 208759 224305 166988 260672 101374 39944 337360 364887 80181 72867 29242 34480 120232 55199 26289 15589 210528 472363 17235 44966 65482 29562 44542 76406 32295 118860 88248 40002 18834 29561 36467 25080 39889 103968 193064 165219 62151 97962 88694 416187 123842 102571 141606 36666 43024 44200 109637 89854 118129 99094 36848 47641 47763 24110 659743 216084 24100 64207 105542 36631 76857 38631 126544 203966 52947 112889 45172 99090 51286 60085 43135 23014 76870 24232 67524 147287 218244 174883 155760 125842 41528 299185 255720 242646 49272 78111 123834 45080 55097 400667 75472 85807 159451 169345 398124 143803 242419 230827 81598 42743 57130 104618 219339 162917 130879 172614 96351 11491 87063 cytosine 8243 6776 7560 12384 9980 5825 5853 6202 11746 5736 8956 4840 13936 18416 1600 2558 2986 7905 3532 4496 9885 6790 6372 10289 7532 13245 6731 26593 5695 11855 9064 3207 7113 2579 6335 5433 5016 12374 15635 10324 17251 6291 10853 2737 5774 2892 7324 7799 8418 10494 6483 5795 23593 5504 4787 3761 9161 14887 2935 4021 4648 3068 3441 1976 6486 5977 13988 4573 5195 4390 3133 8603 5004 5668 12948 4947 3405 18058 10690 6238 4818 7671 9035 6217 12318 7347 8547 4296 5373 19073 8621 6236 11312 7062 5064 19578 6298 4788 6578 9437 1595 2603 33397 18809 21660 2359 6069 13070 3708 9201 20391 12227 13259 3010 4024 4349 30068 15701 4634 3524 10997 41440 20164 8586 3659 22723 24091 13591 4374 1510 5567 9330 7059 17103 22457 6212 11048 4128 29894 14269 13563 7520 5585 11701 9940 3251 5830 5428 11928 4314 6661 2812 2597 4432 4109 6794 4200 5774 12054 13582 4538 4319 10644 4003 22040 6311 32248 11688 11761 10551 6790 14121 13114 4030 11246 20244 2083 5074 8312 6428 thymidine 13528 8014 29482 22111 25226 7556 6275 6032 14251 11208 25422 10049 25002 25169 60143 55700 14159 8365 38009 7100 18611 7305 8188 7683 5927 8526 9468 9481 7557 18328 10346 7749 10770 5008 4682 8496 10574 3821 4358 3696 5303 2487 5839 5341 12194 7292 12185 18673 6993 5836 6045 9977 9920 8953 4083 15032 19827 7800 2938 17567 5315 7458 5994 16546 6552 29027 9258 8336 7988 6041 3484 19446 11492 2895 7386 12926 13787 10411 9863 7482 12533 24433 17553 13430 44801 18494 9908 13708 12985 13915 14165 22390 8079 20510 8474 15551 9447 36558 7715 14151 13239 25329 28945 17258 3472 3965 5644 11160 6202 7543 12119 12568 11316 5901 15658 28724 22074 19230 11064 20257 43605 9493 14349 13490 8652 7731 10907 20422 4277 3338 12894 9331 22555 10829 16679 8281 11617 6927 24018 22218 19464 17422 19210 8058 41921 21602 26320 11873 10770 18507 11832 14946 3067 6352 10385 27311 4979 9203 7173 17176 3446 7056 18437 17597 2421 21319 12747 7529 19542 15795 22906 21634 7455 29355 18192 57584 6748 6012 25845 30159 xanthosine 38071 69589 72461 25388 35368 82517 19826 40766 60971 57374 46414 9985 23680 30214 21838 17837 31071 83376 57359 34482 56985 50449 43886 109607 105835 103014 26378 110684 59755 65160 66689 42549 10578 7535 20675 47495 73587 20016 44969 15701 8899 6671 44371 30399 30015 17862 59318 52971 7434 24540 14097 26635 41565 32927 6777 17269 67736 33744 49269 26588 11449 36715 10888 8144 37461 73856 23483 23806 31477 18910 17546 27161 36090 53062 79505 34321 34592 36263 46993 11599 47978 26400 10041 31976 20080 27856 15315 44123 39615 25780 38742 70304 50801 16970 15555 59506 36732 36389 34949 48086 25272 33687 38341 77462 91210 21444 18563 21053 11382 58322 71880 133251 140475 24779 35796 33687 33839 23588 25200 21419 58317 41629 26382 48305 4142 28123 25526 63346 11795 5086 32801 91197 34236 97827 358889 26801 62098 26005 48894 74493 52451 12394 18312 100780 87927 24666 21008 53843 60640 38485 77270 16421 7931 18427 25804 23862 11147 29351 21249 32217 12773 18914 151722 22291 13258 43963 59908 23162 28081 18523 35565 70851 30286 12471 27631 47353 6750 20025 43686 54914 2-deoxyadenosine 378414 76221 936330 120817 110166 51089 9495 405691 243580 930403 21998 408370 124035 37735 71831 393461 91397 72366 426246 18298 32854 98075 20467 12522 35597 110813 22709 71222 93085 34102 47436 2952 75630 29159 64469 36706 6471 51500 10099 18508 157038 76737 57753 109569 97140 147773 33061 144448 47551 24934 280304 47635 30989 143178 41183 23430 71727 16732 13283 22340 640460 5665 42837 100239 93985 83502 58748 14370 55007 141262 25150 972248 243569 55504 139189 19659 21979 226666 230578 166719 24239 45750 7549 264035 54386 208974 322570 120876 64613 350193 178742 84570 21415 7128 24497 65764 421962 70143 77541 13827 106167 410139 81492 150391 273544 85221 19504 9758 69406 17016 157494 84897 423257 129621 596357 136723 273616 187134 30382 36554 18725 251163 38042 20498 453200 275782 175135 50324 79969 10444 501385 84333 35486 9008 76302 262710 13189 6186 46120 6305489 70318 14508 302249 171510 47552 25899 9862 152201 246811 45031 25366 33072 608016 68589 249396 3033221 1821797 2-deoxycytidine 5233 2697 3470 5273 3775 3014 2480 2528 4812 2619 3965 2177 5951 7521 1157 1707 1834 3196 1358 2852 4945 2467 2143 4323 3066 14957 2915 10017 2661 4588 3626 1736 3133 853 2620 2396 1879 4448 6293 3908 6622 2454 4546 2446 3412 1434 3149 3441 3941 4594 2847 3198 9959 2556 1985 1820 3777 5876 891 5699 1978 1892 1708 808 3093 2915 5996 2093 2561 1855 998 3769 2291 2058 4647 2541 1946 6764 5112 3622 2136 3316 3389 2592 4689 2968 3240 2794 2290 8400 3915 2870 5511 3631 2056 7903 2342 2046 3017 4073 1263 1251 14138 6779 8855 1055 3952 5023 1449 5131 7815 4017 5570 1254 1829 2046 10974 6055 2339 3366 5087 15961 7766 3189 1500 9049 9176 5882 2133 267 2003 3432 3050 6027 16495 2325 3701 1432 11526 6263 5422 3362 2866 15362 3464 1544 2673 2370 5133 4689 4292 1526 969 2152 2179 2805 1734 2138 4859 4750 3736 1754 3862 1990 8955 3192 11878 7770 4543 4520 3492 6620 5081 1495 4336 8410 771 2376 3309 3170 cotinine 854 258 483 3245 1912 2776 1536 13117 5104 1110 381 277 70 80 320 340 802 410 89 49 906 89 25 708 154 158 129 460 203 69 886 540 683 374 63 158 233 116 146 39 34 18 358 91 87 246 284 229 357 691 437 248 663 123 214 264 2371 3057 87 886 39 47 87 46 127 613 148 112 124 1558 303 230 291 307 2145 1377 374 73 240 416 330 392 197 266 1130 115 425 1079 468 851 1166 1014 3302 618 1520 246 1166 617 217 448 843 132 242 328 421 141 101 218 604 177 190 187 465 67 689 35 848 334 516 1218 2179 580 30 123 753 64 660 468 568 512 393 376 186 236 140 231 1683 427 200 238 249 188 208 47 100 438 946 4134 161 144 400 457 766 1295 18 69 45776 48791 225 1361 16017 441 189 1463 110 118 2162 1842 24 188 2512 515 458 380 883 1100 mevalonic acid 9849420 18187216 17606099 10344092 10439654 12934681 11625003 12503741 40613214 40054496 14326667 43851762 9653344 34099227 13326896 12872603 9621064 11496570 49749633 68067157 34244729 35052172 37642254 44387917 47504516 68658233 14410902 11568973 67139529 91134087 18888569 14755902 28966716 67274903 13338239 13507603 95015467 91580300 64383826 82649751 30717771 44315349 15241732 93466396 117112403 43073931 31141015 37701026 31756608 60768443 32601972 51111662 76276194 77294756 18841085 26979485 57012324 103916617 45906235 13670940 34759670 8723390 19723130 11509604 11818976 46967842 28287683 24021596 18973715 11678195 34568990 11442830 52238124 65629566 26029445 53743564 12480889 16022121 47058870 32176547 30724650 11402916 58518460 24142864 65190875 32412917 65390476 41861864 39156328 15136240 36340211 34846772 48176801 87335295 96145331 32433986 30313596 27146697 49292264 70674720 34020434 44714316 33592061 84779897 44468914 54084238 124990929 32362965 65800198 73958404 127808388 56357929 96380008 70398736 61717955 23368784 57342693 82301452 63668118 93002573 63222162 28759256 132997461 75527982 97425831 32459525 29353521 83941260 34364604 77739893 80567359 19822440 68051701 85490063 39479968 83857137 61241947 112610915 84398069 89096002 111171219 52616099 41520235 88114537 83408436 68375489 71853800 98879047 102167043 83157077 63086173 58914583 91391467 72417178 99444227 29121715 67415462 100281571 40559096 62457291 47997654 61311574 48237302 59583464 103164937 90961831 71557757 162628210 70222162 102004212 82917738 111345041 100181862 123160323 94638386 118277585 81191950 121224722 96015771 86830880 pipecolic acid 134289 89194 25155 6724 6817 48829 37349 70179 106768 90115 181458 61543 201958 127973 264157 251387 231243 57555 58653 32422 63041 78732 53908 81348 40145 62848 59358 94671 111134 73841 53828 28460 45861 10895 17476 43979 50230 32256 220108 36748 19153 18001 229217 141309 279618 51817 137016 85361 57659 43491 12513 83920 92908 59771 188320 315505 98600 40066 30221 165652 102702 60044 42299 38278 87355 160856 25521 56164 166449 15123 22084 147759 59241 75921 68034 125972 24619 46044 107562 48347 75100 164056 87671 100877 84672 119354 96815 57640 59592 161292 141213 148961 212845 128118 93276 151863 32860 57100 5402 10158 133393 212254 191879 114518 39382 47844 49224 88654 16965 9403 10893 8956 10197 82634 147558 235998 4140 7510 52123 100379 110670 60173 158568 135416 49462 28525 54777 185933 39526 17686 5235 130715 157707 81868 45594 13807 42164 5057 37877 74794 116686 4608 4456 114739 71919 187713 145398 105813 103934 6679 13404 79999 15043 34284 60357 77170 43994 67950 3283 4278 50404 64853 167081 3689 68417 142188 56548 57777 27574 26422 100265 119639 52336 13608 81251 399037 14102 19504 191505 148766 5-aminolevulinic acid 17 186 20 54 386 478 214 633 267 67 33 99 15 29 1316 348 847 89 167 146 277 262 468 123 418 83 144 111 89 724 89 317 267 226 784 1153 906 372 303 514 23 119 222 103 106 469 780 268 276 379 88 92 45 92 155 25 48 11 97 176 223 211 139 425 216 174 295 411 15 56 88 523 10 50 39 28 18 189 479 62 36 276 1120 183 106 21 161 602 233 89 16 78 51 18 85 56 40 101 37 153 46 123 20 8 92 37 626 23 166 16 146 801 24 40 64 146 53 205 426 113 70 122 145 110 15 58 14 31 260 1004 242 32 200 46 156 127 14 48 31 89 431 147 28 598 25 266 160 pyroglutamic acid 6720793 9931799 11120171 7773192 4814633 9000547 10468661 15701292 11476954 10425424 4090691 1740668 8196969 8149057 2583141 3391053 6495493 8723876 9113766 8451224 11871607 8081281 14033156 8812075 6760166 20436492 10838093 24937186 11436818 16181344 6825631 3811550 12956844 1687001 6392648 10001607 7165453 4705198 21102735 4888593 4564962 2563375 7301641 7773141 10942480 3085878 8246843 8871573 3316384 6730027 10955614 13004622 8444540 7057876 2055167 8565067 8758638 2786426 4878038 8157233 3967658 14090573 3022865 3897934 6070928 15081229 10533793 5559031 6827571 2316426 3126409 10522071 5004701 7747748 15595497 5608526 7489722 6095670 12061192 12780723 11077364 7914870 5351319 7724657 4237065 5889558 5942749 9048692 8539785 7465270 4306999 9854326 8350436 4105023 3000798 9406290 4749996 7021302 4116783 7532712 2303779 4184652 3960394 10395845 7884615 3505122 5580236 6227862 1198456 5590463 8451303 7972147 5257015 6753890 5794477 7054608 6398304 7276507 8072321 3112216 8172033 6796206 4191836 6385073 2573816 7422096 13881050 6117262 2774557 1088440 3754945 14003054 7282901 6287096 10836120 7513931 6978184 2598080 2768452 5441526 6442004 6734341 7646172 7526504 6776489 3365333 4790827 10017302 5766895 8575606 9125186 5920397 2769132 6265599 9256035 7257463 2515302 6240787 5165645 4506303 3816345 4952851 11395454 7373522 30673216 8006611 12089977 6126047 5359628 6596466 4913719 6371564 11419474 2323603 6037292 8898102 5148537 4955690 10101428 5735038 1-methylnicotinamide 2028 2023 2108 1509 2285 13294 5271 13317 3938 9604 1846 2763 21991 17746 1771 1782 7977 4743 2247 2227 9649 12913 18468 4981 4312 8516 2680 3015 7082 3138 2713 3437 3501 4321 4293 2572 3174 2635 1751 4097 1461 4238 2141 1720 1634 27932 2565 17232 2530 11932 8775 23870 3522 3098 2797 1903 2192 2389 2783 11942 4445 5878 3280 4022 4688 8068 14082 7316 4841 5828 5329 8716 6503 1928 6206 1582 2074 21947 35505 14344 14396 8205 5403 16460 17517 9541 9915 1556 3240 2277 1326 1770 1262 1521 3013 1369 6205 14350 2154 1527 1743 4931 1866 4079 6915 13409 15213 2106 2057 2637 3234 1731 3688 15418 13472 11039 1892 2374 14243 2556 1999 2469 1561 2583 2160 17530 7963 3336 3356 2319 3142 2648 1760 1932 1925 1876 1996 2230 2162 2042 14825 1463 2069 4087 24285 1742 2263 3617 2622 1593 1959 3295 7767 24924 12021 3729 2471 3030 2430 1826 3108 6448 2976 1921 3426 1799 10637 6283 17901 15096 2869 2884 2717 11092 9046 10164 7183 17398 2477 2708 methionine sulfoxide 633770 434606 945365 388387 266292 291333 92929 395600 26796 181541 25123 208594 987860 637311 217155 438566 179211 290366 439123 614866 525844 696136 1077824 1082251 853799 1255767 565161 1317377 1159759 1071384 83217 11954 81417 5731 165097 188579 71513 261015 717975 211384 278782 62374 220562 537741 229774 481534 157672 20374 1593297 210741 755970 131567 295524 85354 166806 194862 21004 162036 499248 81291 1057327 330139 90000 277548 645063 292020 49251 246052 87428 189760 565810 65197 30396 473260 20450 438917 155996 163936 431503 549639 345316 330236 238204 203545 65614 62161 503696 194462 506575 229994 294611 906794 69313 36949 749598 122066 98628 45527 751906 11997 163604 46764 204478 158214 26519 94519 189167 246179 145806 572020 419691 56804 226576 332238 251395 260550 41136 172625 324266 177193 68517 203717 20489 213279 224551 707410 251983 481167 296852 75265 495891 144270 234775 13602 109146 60769 314801 122202 37748 116647 134998 198962 216445 174164 185045 510151 218356 93884 21461 23610 480118 49909 28604 170086 73377 495670 72241 362653 49307 247947 657566 929131 543202 305538 48381 45588 128418 34187 544770 75723 202397 187480 304220 28245 2125034 54029 sarcosine 541594 1402996 364802 353572 268578 815117 557954 1561060 1217461 831588 149917 108786 321979 852684 982483 597486 343667 734501 1641073 2196916 1155348 868697 687248 1056995 1053084 1969008 788962 1077248 945913 1348662 449156 243985 1246276 82240 833278 474638 480196 977961 2519276 640069 899272 546659 744909 242525 332822 269494 512642 582273 159340 1370771 1872968 659250 619928 412600 250911 514444 932866 198072 1314490 705905 160218 668036 347517 183882 274396 812535 1723931 817235 857916 1110280 780752 400306 1256959 347751 785591 70649 880698 1656909 1214945 141663 411985 240836 279670 264609 232048 339298 115307 1050800 989293 241549 180738 447053 501923 126968 84154 200507 392294 244470 577017 651772 108433 411086 229545 614921 988897 630283 349310 256164 60872 963757 568386 256047 267999 369645 407436 274068 339781 332678 557981 493771 202146 160848 77228 359027 31795 838230 1859366 225449 68660 24010 89873 2576881 100833 212229 1989670 220333 324908 91659 303130 312185 331992 188507 166477 494893 299482 156758 136707 324282 276265 106288 441690 122788 115291 283307 411163 156837 16290 300875 64249 136112 867621 1542782 1116665 145808 771410 365534 976629 763717 1364463 1479845 119576 116290 14230543 10754536 251871 367755 744671 410247 605058 300875 beta-alanine 885057 1469174 1845310 1507618 899621 2185646 6251473 2702004 2856752 1622390 840339 504687 984396 1320205 1010619 962356 771159 6832853 776783 9297050 2657154 4606727 1930362 4243847 1322576 9402796 1501587 6360143 2520830 3034523 895656 514131 3644369 574570 1647104 1903848 1381276 8012953 5486766 11891789 9706439 11826257 3977545 738411 1630077 753295 1247730 1221021 1090874 14459256 15494005 6836237 2429238 805042 273293 744834 1635723 451821 36828667 2096689 494396 1346234 1164646 674499 816334 2902178 850948 3662090 2359246 2172262 2993695 861281 619036 2199116 7981470 479993 1063261 2338125 7702877 586463 516221 451698 365309 361840 330599 400226 305947 28267863 33989282 636636 610442 1180406 955170 490172 308089 917321 741336 872587 522405 562848 593970 1092650 988608 1182325 1587189 1202436 557032 1298328 284405 3091190 1127498 834338 1415532 609441 459002 624882 805858 482834 3853770 968603 1332935 753769 352013 796287 166291 993673 6448422 762274 194159 166555 441165 1887632 587440 747854 4772354 578130 846770 324745 664865 1105058 533330 280081 240680 1446700 765236 270965 332655 593501 732349 940180 1702598 539835 189544 450744 503502 452939 152911 335369 257796 279897 2040668 29290069 1908558 471190 9283601 487609 1708897 914633 22049907 24767920 927455 488224 13030750 8479891 544729 1073648 6897141 11757773 875521 673645 anserine 5059 7259 15824 22108 7192 10100 17887 26239 3546 6664 8515 15256 19429 8962 3698 8379 29273 1728 12306 6893 43245 9779 15994 571 123470 2303 2382 4432 1724 23 422 5974 16020 67615 89364 27322 11365 13344 13364 1 3719 563 44804 9599 1517 196 9067 1966 405 18584 53895 1687 6523 2829 628 1244 10004 502 22 24 2701 2023 1588 55209 22934 1474 119 1285 2031 1491 4992 632 7026 5698 1554 30088 9350 20347 19137 15353 2957 20068 7911 1538 3974 4804 27338 1321 962 343 10271 336 293 41434 684 12375 18110 382 767 3133 3657 1230 4812 5279 175 1096 4892 6368 3417 276 18180 820 4972 11780 1037 690 12720 4218 57 3912 6646 2092 1807 907 13181 8114 635 455 33 5216 19168 6619 30 912 914 13594 13724 8546 1523 1052 2632 6585 7338 5354 29850 598 23959 78151 1536 26 77 369 carnitine 51202 70140 169315 172772 64141 24513 127729 157382 62887 12408 41097 35080 144939 1756162 22688 44408 45019 9228 67933 227033 92324 19535 96822 182783 87156 35471 117183 78220 84500 666419 27158 14069 313010 3222 39941 10325 14742 5470360 3801039 774632 500381 3482643 1276620 54112 19652 9888 25621 39564 29027 89990 817939 173096 32110 9769 18344 23042 503918 29758 43946 30242 30338 27103 52745 32014 15996 35838 48461 44191 119182 41130 48732 69045 24223 17427 28974 26275 57010 319496 2127104 21887 119244 40716 24831 40471 30297 80870 83865 83777 178234 57418 35318 60940 169352 312087 221036 120083 8341 12818 182031 56678 53343 57679 33975 27075 41254 12491 37843 156706 10769 173762 27832 74658 77010 53525 19314 28037 32356 21196 377804 73406 467296 22761 46184 90958 13721 51422 71478 40087 5695 6095 50793 100307 54053 12605 89313 15573 13110 8746 21004 48730 26090 95379 86715 45624 25778 23673 18582 23193 67826 41291 53959 30291 3058 28042 11030 27137 18995 31516 13970 10297 261614 2690767 29615 28528 82420 13591 152701 164275 106899 11217782 103412 157440 352176 62059 43983 44397 153090 51201 33458 89275 C2 carnitine 2687 4084 2298 3003 3846 1427 1628 6021 7858 1026 3788 5234 4978 104490 4021 4002 6669 375 1861 11680 3503 2507 12186 14137 5607 1265 11295 4159 2360 25829 2505 2224 8680 499 4615 1068 765 2093648 897949 262000 207272 213465 103863 6890 2369 1378 4284 1725 2067 13409 531359 1894 2199 808 1492 4938 28159 11087 5453 5628 6950 2105 7466 5956 2815 3416 5117 2348 6920 3544 2391 17608 2934 686 1852 8011 7204 3605 433214 1686 10971 5773 3242 7697 4129 5795 2123 3165 16003 3705 2676 1128 7155 7878 1308 7273 730 2743 4419 5047 4517 5626 3760 2648 3914 1507 1551 6557 1252 12957 2181 3671 4174 7458 3756 5255 2178 2927 16244 5658 7506 2642 2294 2589 3765 1574 1255 4986 1229 1395 3545 5682 3091 1144 4351 1991 1583 1279 2720 4898 2552 8244 5388 2302 1779 1151 1533 1712 3733 3933 2317 2945 1358 1943 2061 3566 4324 5364 1463 1528 21927 294552 823 4116 4403 1492 16391 6154 4931 3095499 4034 3428 70702 7515 5800 2499 21241 3503 3736 3221 C3 carnitine 21052 15432 34158 15877 16201 1458 7650 1921 33832 5507 116745 4168 8028 56283 6416 9585 3920 13624 8706 9553 27576 14901 26817 12722 10809 34956 12525 19033 25895 25178 27142 8906 24200 3605 8147 5841 8951 1437 10116 1933 1379 1625 3286 7542 12631 5328 16079 11336 51077 1418 2321 9999 10058 17311 5131 23711 8423 13493 2528 8092 991 1581 1168 1863 6237 6159 1096 13153 2340 2528 18551 4704 1991 11163 5160 8750 30227 12570 10543 16902 15400 16331 26450 18884 26766 22952 18393 2932 3010 6132 14453 9863 15852 6636 2909 4623 4856 9602 8035 17224 19814 18969 6621 18021 169 7513 23070 7606 4984 6432 2568 4790 9729 8936 30692 42496 7217 22642 8179 7809 8797 7361 10569 21018 5875 570 9660 7859 5969 3610 12073 20467 18513 5920 20088 11310 12782 15067 3183 6769 5522 17435 10908 13114 16387 6863 7166 22646 16239 58460 69997 12283 7991 16077 15719 8025 1886 2937 3531 8175 2224 1590 20989 16258 9228 26041 8148 9269 13015 16158 4487 6156 596 1130 3448 8869 306 315 14012 11258 C3-DC-CH3 carnitine 32 611 4951 703 3714 135819 144 93 3467 584 6953 1404 108 32961 17324 58410 12626 140 8470 27 28 170944 112151 8408 6356 113184 37810 27 13806 25155 230 3510 126 6431 1999 8467 1518 5001 198 364 16553 118105 128 32 101 6431 128260 549 2140 415 265 73 204 12717 152 162 18221 189 37023 7882 176 1293 279 190 1675 466 668 324 202 187 184 41 37 11805 249997 64 54761 4954 2932 191042 1671 38800 6837 97 226 C4 carnitine 4281 4146 3969 5724 4197 2312 2467 2248 5777 2814 4441 3242 3399 12296 3093 4047 2828 2144 3481 8805 4617 3579 4093 3626 3351 2931 4991 2331 3956 9032 3867 3384 19974 2669 6121 3812 2953 307981 91543 56193 72077 8078 15204 3859 3929 2784 3197 3447 2657 4726 75084 3498 3081 3472 3090 5199 5745 3455 3406 5773 2804 3281 2894 2733 2953 2894 2149 2891 3240 2939 2905 4504 2907 2902 3340 3699 6616 3714 27167 4339 4692 4561 6376 5341 4660 4903 4678 3051 4601 3240 3031 2583 3739 3862 2271 2750 2506 4037 3721 3748 4521 4982 3189 3594 1937 3174 3917 4163 2647 4406 2783 2794 3025 3405 4159 5756 2620 2729 3631 4273 4157 3962 3355 3930 3132 2098 3760 2978 2730 2009 3523 4075 3473 3221 4103 3261 2808 2397 3064 3181 3174 5421 3519 3738 3844 1745 2567 3700 3061 4504 4847 3933 2829 3517 3361 3704 3322 3167 2499 2828 7188 7278 2635 4209 3179 3507 4655 5639 4677 1001339 3959 4035 11346 3991 2592 2904 9903 2989 3475 3175 C4-OH carnitine 571 1724 200 462 304 622 424 354 1018 107 228 286 2561 579 312 299 332 423 496 519 689 528 738 436 4528 870 438 565 1152 666 715 1283 979 482 1039 646 32826 22480 5796 29566 23046 9791 392 278 551 449 483 290 673 26603 316 538 642 645 1466 1113 981 130 1716 852 550 673 689 743 1017 579 819 570 838 1738 944 551 447 355 797 1687 389 15894 660 787 1398 1552 968 880 1238 639 938 747 220 179 78 123 269 495 365 440 1250 511 1084 586 2131 267 546 784 294 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1269 1284 1491 1784 1221 1104 1712 1769 1626 1465 857 2499 2322 1821 2222 1912 2593 2197 1926 1630 1630 1942 1994 7044 1002 950 1767 768 1814 3874 1680 50603 1439 1324 1422 1449 686 833 3284 1892 1521 1185 C5:1 carnitine 21802 1782 66051 8091 12632 1227 205 231 33637 1542 7168 944 1028 15094 1616 1299 7333 11208 2387 709 5451 4261 9843 5015 11270 4800 8935 6681 17239 6585 24667 7926 3206 1264 1117 516 2154 265 3387 423 102 571 1901 1950 2028 1107 2599 2492 3890 348 643 2024 1427 3330 613 2858 1824 2832 568 4265 569 448 399 659 1442 821 1089 3452 331 307 4656 814 76 358 725 1755 6498 3841 6489 1829 3265 3980 4723 2112 9672 4259 4087 1495 2148 647 3539 2803 9194 293 262 202 803 1232 2214 7037 16628 5460 11050 9501 90 1519 6153 3766 258 769 1727 1395 957 1489 3401 36573 849 1611 1571 3758 2369 1291 4311 9088 663 621 848 1676 882 1016 5276 2385 10780 1777 23379 1131 1699 2093 514 1809 658 10340 3802 2224 4693 654 1364 3023 1846 34328 24502 8299 3030 3455 3685 2137 502 663 1059 15879 2405 1150 13195 4598 1963 33182 2210 5774 1971 2132 1746 2319 223 711 1220 4276 309 403 4812 6802 C5-DC carnitine 15344 1385 19843 8042 6870 990 3888 1684 17760 3527 6114 992 3593 9789 1531 3396 5306 7465 2527 1765 11585 6296 11649 5856 6483 8326 5983 3110 12840 8837 12640 4170 11506 988 3691 995 2596 1735 2326 1122 903 659 1923 2265 6206 1377 1761 3202 4034 1069 2733 5206 1883 5332 718 2635 2577 1961 1372 3481 490 990 469 374 1657 4323 881 2615 530 923 14225 2322 830 725 1269 1387 6910 3937 3234 3007 3208 4324 4780 2857 8859 5067 4172 4006 2476 2084 7012 4269 11860 1464 387 882 608 2560 1148 4866 11225 7058 4598 8974 155 1786 8197 4612 972 1981 1991 1397 639 760 5868 18354 2726 1386 1034 2530 6718 2164 4820 10060 927 737 8537 2239 1524 460 2360 1367 4578 1163 4601 1971 1946 2844 1305 2920 1050 9940 7386 1390 2304 699 639 2722 4948 12715 12372 5689 3101 1384 3331 4076 1754 977 1241 5994 1456 811 4126 3817 6806 14044 4185 3222 3516 4024 4675 3791 789 566 1272 1169 576 299 5704 3921 C6 carnitine 97258 216854 256660 363501 509133 199317 212905 228747 91459 63293 90373 133283 111274 233056 324613 269970 91582 223887 527036 119034 83176 346816 191553 111498 323002 258257 328627 94512 245083 695802 196007 330710 205498 100169 78076 241539 162507 850391 50206 548037 366059 226065 313704 246341 372745 756440 403855 623661 2982280 430358 479810 194816 158391 151296 194063 478627 61470 490932 210587 372044 374021 301991 419580 96123 265904 137141 524423 323935 475912 247711 605018 320257 580115 668753 252849 268478 67421 223431 306478 605796 496041 589361 1040980 382403 439170 1355481 800320 182182 103361 72889 814624 1112876 351250 252506 142725 1713654 119469 178095 272985 85788 174202 304383 1054214 673864 73347 323969 217010 333784 318034 666748 668154 327874 291015 400596 229864 138043 550358 535501 748175 1882044 162862 144836 665843 87753 198831 439000 366477 562358 448972 104095 246464 268773 51661 385995 123905 592266 389339 358443 257786 78902 650373 1394775 1950542 741451 857029 1144112 706403 275307 603344 129787 124555 366874 651456 290719 1381498 145332 138084 151535 1724599 1759553 701730 336808 64451 194451 226768 254477 462593 451179 313404 1497039 324904 158568 203321 203846 353122 345274 280851 89432 239472 443912 C9 carnitine 24 81 1812 195 1196 175 11485 1197 561 272 29 193 52 96 1354 142 95 17 28 10568 3845 9913 1585 35260 64024 1856 92 89 47303 36 723 138 18 20 1972 711 894 494 1201 268 229 1087 39 24 86 488 29 26 70 67382 17698 455 130 585 62 139 727 1438 213 16112 17 64 20 34 129 127 44 1196 70 215 251 1208 518 16430 16595 338 30 3882 5047 40728 23704 603 34745 31285 54 C10:2 carnitine 4398 814 1758 258 1653 63 787 2064 1261 3432 1784 1748 3434 35844 782 18630 51 234 1754 95 1245 20962 9527 2889 1571 5742 498 65 21043 5072 3633 17679 8022 588 733 7364 6990 3418 585 3283 4606 3497 314 3505 324 3950 2731 1879 453 C14 carnitine 228 220 726 8899 126 866 104 8258 3677 14315 66 76 3663 121 432 58 4757 1187 314 4393 6573 2482 7018 1028 2048 195 765 17930 55 418 42 881 107 1805 1386 159 1010 42579 5786 1750 231 331 2585 2533 2241 474 2764 4629 51 120 973 85 672 125 451 273 3464 715 117 59 95 7817 49 5972 12321 3161 544 1600 22586 17673 606 3608 10835 47 C16 carnitine 1031 1488 270 568 6052 14591 13213 6031 42341 2165 11466 1902 6382 39064 241 413 7997 2313 33246 32389 54724 809 3221 11616 8153 4631 30791 7076 3575 4637 9012 7574 33954 922 14382 8542 6526 30677 43941 2659 30900 25281 15616 12640 12780 7147 779 4753 1000 7014 70508 1339 3254 10097 4628 4383 9895 48 11165 658 1237 4299 21372 20732 3939 30579 74881 44831 12662 2959 13535 23363 3791 11606 17404 361 5827 4900 2253 134 2106 49 4 18683 29149 751 181 617 92 341 2237 2405 3483 5687 1584 535 64 1007 30341 5511 2933 255 683 15692 9855 648 1804 23645 651 2 99 44871 18952 1570 5341 259 809 4248 1866 1093 758 81 1584 819 877 1103 588 58 3838 207 3836 816 227 140 4972 181 901 454 614 2 94 37817 265 524 690 279 1 343 104 675 11157 68137 3411 72 12371 795 51055 116874 1286 743 98237 12194 5300 2575 9757 16939 726 1619 C18 carnitine 6204 4396 6055 2128 4754 15531 10232 12919 23203 1172 20733 6878 12837 78621 2243 2681 30768 6709 16928 32663 27071 3616 12961 49125 7070 11275 39980 10060 23108 15474 3767 9586 8866 573 3960 4505 8068 14262 28353 5020 12194 108474 11097 13797 23073 12227 4367 6607 8913 9979 32031 4419 4836 6055 35305 32459 18431 720 9129 2571 14267 27298 20176 20597 18682 31350 39821 21391 15757 4922 6708 27577 11843 8600 18334 1268 2639 2697 17363 3493 78 3927 1425 317 125 14794 27272 1004 1131 2912 527 381 91 4647 2344 12779 5529 6137 7698 1223 2313 3417 33302 7533 8026 452 11961 10352 12264 205 9441 20253 2433 660 2096 3809 34315 17288 5303 15466 1151 2515 695 9171 3493 1079 8892 3818 466 4653 5526 3273 3955 1128 213 307 7524 9606 7113 1731 672 97 5441 3410 3781 4475 5775 1562 2644 22298 249 490 1614 1769 352 1298 2299 3649 11077 23384 308 1195 7290 3115 23313 1340 20360 38891 4779 7638 65839 9994 8087 34705 5772 5941 5548 22049 C18:1 carnitine 380 6630 385 314 927 4578 6998 1720 15656 6314 1581 6522 19777 14919 1488 39647 18653 17973 1790 5767 10273 6719 4704 37746 9993 6763 2758 7342 6674 16763 838 13733 9139 3559 4036 14041 3240 12490 20650 7258 6666 6017 11262 2032 6590 1371 1104 21460 2030 9332 2693 1458 3515 5020 2602 2533 26488 31331 19647 10657 34904 33931 21915 4060 2805 6198 7039 1379 1468 3309 1249 2416 2371 7184 1239 7080 10912 74 405 3994 1734 986 857 1502 1504 11415 2312 3194 78 815 11268 9722 1345 15834 505 473 34590 6799 574 2456 330 800 114 3135 4050 86 703 458 108 6872 2555 1395 627 324 3897 264 1072 95 369 2276 200 745 367 39625 328 152 650 3659 143 271 3230 15354 4338 499 8400 118 29986 56809 3692 2816 53664 10175 2416 2987 7601 14184 85 2557 C18:1-OH carnitine 17004 175620 195417 4024 143712 435685 235300 10119 817706 377979 630171 6179 57309 311821 26330 119108 110091 48372 6676 23721 66634 99298 83171 3629 237401 1053454 209912 496508 75854 141706 3679 18396 50141 299557 278002 117839 7361 25089 321915 2466 7619 15618 12116 116414 52576 121951 56499 30193 67753 98570 129850 652981 24203 256182 48593 18013 14072 2032 57062 53969 56417 4743 1727 34965 12459 5289 73687 11608 5822 20080 74848 96564 558181 6170 1933834 21779 380456 5532 3665 727371 20173 51329 185512 C18:2 carnitine 1580 109 95 479 4910 3790 659 2848 3700 2073 14696 4076 6512 45 2632 1543 2054 1114 8854 2049 1763 578 2103 1029 9068 39 3361 2957 1339 4445 153 4291 4848 2198 950 88 2075 61 321 90 870 16433 497 3114 575 2727 224 1787 6295 2488 1032 6407 9694 5726 1182 636 2126 2238 399 42 112 395 4077 2143 2437 938 279 158 702 75 602 3277 159 1138 3931 1061 60 3053 8690 4966 39 144 60 722 260 1966 391 54 281 87 58 278 75 66 69214 80 72 54 1447 344 1507 7103 1234 274 6878 9358 27578 780 323 17448 3186 8843 12571 813 C20 carnitine 18877 2641 18788 7651 21298 2512 4310 3173 6070 9070 3747 25788 36517 33265 31419 10442 7311 1039 25073 5123 18533 41781 21778 8762 19168 10651 31683 13049 413 1336 395 732 2965 2124 20606 733 487 17288 10537 3074 11778 477 597 1253 4348 3952 1380 11489 3287 19546 30562 6759 1495 1277 2322 7735 3608 5999 3746 6432 9006 2675 1992 6801 8921 5843 1353 2015 136 19204 615 18682 473 392 478 9495 3716 1993 298 3026 338 17296 5292 3406 1874 16492 5433 972 25851 205 12769 8308 2824 10477 17236 12794 534 33382 2710 2516 2773 10852 2826 3554 6076 18675 13117 7720 12598 14599 4297 2931 8506 2813 3712 4201 4523 1323 1427 60 6513 2660 1941 4189 2959 2288 235 7373 77 805 752 15800 7937 1722 377 14832 707 3767 2995 2385 20806 16027 3676 3765 180 81 4348 8337 4990 11955 1085 7873 2495 520 16438 907 2291 9691 820 2164 33085 2055 6304 37072 75 13022 17747 C20:4 carnitine 181821 831258 845126 1341122 1344930 105577 462246 23804 1373414 745367 42056 235929 770076 405090 724015 534364 483915 567691 305142 658302 1796 40576 186422 431679 763928 632412 95728 2708041 468677 379018 153526 317 6260 366978 2559 3291483 55487 73218 527056 138921 142458 244825 630724 235488 39310 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49164 23191 453462 52688 279084 105601 14199 20221 33471 7405 49533 59141 4914 3420 27717 135165 12607 30936 5494 15055 57241 28365 85079 28657 5657 42194 223315 25721 24133 52543 36396 10648 24008 67544 107484 351678 151422 97781 40881 25813 234229 158228 372595 284475 33821 56164 6425 67090 128956 65686 16608 73618 79254 142973 48584 97486 10717 68306 32548 40902 29615 22783 41039 74779 111129 29024 12484 48483 13665 24851 6352 62057 22924 96625 11382 7583 99147 111054 19162 5937 24472 72068 31109 105941 105962 16528 32017 110789 661205 4166 43864 71158 27679 7240 73948 19157 39372 31773 38004 34040 18659 16592 64102 22819 56406 33466 15261 53893 39783 26397 22563 38735 6049 10674 26340 7580 17172 70340 68577 52770 20226 31986 64817 19919 51726 80420 7010 31517 61523 45488 55022 23797 154027 78647 3-methoxytyramine 9309 7228 7392 5906 25700 1186 1999 16246 1444 1761 10671 4282 13468 5102 3596 3924 12438 667 1076 5947 2731 450 1129 4647 2090 6677 1454 9237 1257 16418 1788 891 1606 780 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197 1398 89 559 149 53 14855 84983 89459 1782 13855 812 2224 216 82977 120 137 644 148 1085 344 3207 224 7337 2418 10952 19687 2368 7266 16811 488 7379 22591 121182 255 1147 1588 2448 3914 2169 1033 1531 57274 252605 437 804 2613 1578 1463 590 308 1439 2161 1286 766 3311 3362 369 1268 4778 934 5441 1458 115 1956 740 3120 2861 24912 1442 2154 612 1674 1619 858 1336 185 392 1678 273 2474 12577 813 1068 2090 23117 2494 1663 6537 1654 1650 165 73944 5378 2351 750 1431 857 3255 2068 2861 1914 546 2749 5948 1992 118 1005 2219 1884 276 1050 50 1275 585078 72804 8737 1390 3213 2582 2544 1204 79158 29286 2724 4272 100381 60700 707 9319 5009 22766 1488 691 DOPA 1826 3105 10585 4479 5897 538 439 3 2041 2092 13971 543 191 137 3512 4872 300 135 622 841 2380 134 518 1962 2171 698 1191 3927 1669 1428 1772 682 2251 74 193 221 2917 482 2551 1534 2334 584 383 1626 1583 30 491 772 7116 47 171 1046 2966 642 1044 2925 2486 3724 41 2306 160 361 19 142 134 261 75 1214 226 797 268 4545 6112 1429 694 1778 2069 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48166 48906 50873 42638 38435 51277 55960 66678 39032 47622 53914 61569 66940 46194 46779 61529 42251 43583 46180 49588 55335 56713 50917 53037 55161 54226 48013 61045 45615 55640 151372 50350 35838 66520 47255 49810 48686 97851 59578 46958 48928 85760 58254 52108 53445 42895 48488 65427 61948 methylthioadenosine 2575 17100 2265 5002 3560 45208 50343 26888 65027 27588 9738 2065 10461 15720 495 131 4890 37470 31877 28154 28520 75811 58053 11081 7690 34091 30765 40208 43538 81927 12389 7410 29819 9164 27686 44988 15953 6787 20151 26671 14205 11287 8565 953 5416 6019 12816 4150 13791 52109 82476 74487 31612 17674 7674 12591 29284 8719 10065 5042 6037 11048 10850 4500 11644 27097 8811 21539 19021 9997 35190 28565 18320 12766 10813 3311 10154 22257 40169 10234 4335 3469 5225 9628 2945 5189 4933 37766 25210 1651 2993 18439 7 1489 3379 11573 12982 7778 13924 9753 1509 1944 3345 5807 21345 12841 15962 15331 3632 3185 6810 11382 22091 17724 10841 2892 6792 2420 7058 6355 12493 4132 915 7254 1074 9918 63264 3626 2685 3691 1383 21284 314 10193 14490 6608 11153 1554 13748 15178 2338 528 360 11803 21333 478 2182 3265 8527 1157 204 14004 5842 6261 4185 7884 1922 8058 2283 2412 16936 6856 11228 4227 46627 4619 26272 10821 27956 26122 19617 20107 14491 5591 7868 4975 57123 20468 4507 7291 s-adenosylmethionine 1857 28779 104 4541 2970 62535 118080 41715 91847 46184 1251 273 4327 12960 1331 1713 3015 41501 31958 25444 31046 89602 50994 15088 11294 36612 22570 63487 36026 65517 16145 8407 56673 9745 49784 37820 19761 8587 21473 56744 30625 20971 10008 2306 8699 6722 10242 5803 18490 22357 32919 68900 73844 57974 10893 17431 22342 17188 5087 9132 6421 10955 11704 1698 12718 26914 8332 32876 35781 10383 56931 29515 25582 9366 16205 5728 21986 23551 55234 16093 7796 2738 4888 12464 6405 4486 676 22710 30632 233 1786 16847 406 3133 9456 9688 13756 11048 27823 9208 6978 1844 970 3466 56125 27247 15196 9580 1160 2145 6190 9245 13987 12940 7940 2548 5682 3382 4245 6890 13381 1504 702 3502 3182 10984 94740 861 1774 5945 48 45615 10530 5982 7011 10789 1549 7777 8947 3672 549 307 13241 19254 1098 7148 7759 1736 10878 9299 5586 3428 1981 11234 2162 9593 3132 1493 14474 4936 14009 3421 24792 4628 57534 27182 37948 39096 26666 10501 21880 8069 5446 8322 29865 6930 431 3443 1-methyladenosine 2056 1023 461 309 577 870 450 1382 4868 2718 777 236 2021 1453 113 37 453 1746 450 1816 794 622 726 1598 1333 1259 757 2722 788 1491 2404 1567 3137 851 1217 1686 1466 1080 1199 2765 1353 443 3566 454 2631 349 1003 921 1955 2261 1784 1574 5716 1479 252 987 1028 1769 817 2089 420 686 231 299 617 875 515 1246 1341 709 686 2218 1200 2902 3809 1185 1868 1394 1857 615 1670 1201 633 1359 1008 634 142 805 821 1002 546 1128 2412 1619 988 3325 215 1230 1590 1209 95 1177 1369 3210 2540 397 940 2074 156 1742 1833 1656 2483 732 1168 1085 925 1645 49 444 1974 1920 1544 2116 789 2064 376 2701 1471 315 768 1112 267 2112 2615 1156 2545 1338 1318 1537 1532 551 1056 3542 1304 817 614 699 1198 1866 3534 412 148 1286 1518 2183 1367 1234 995 801 3424 632 3950 1114 1541 1367 2422 1253 1390 4966 682 1449 941 372 1775 2268 15543 811 254 2242 bilirubin 201522 539215 951368 1092988 923596 1236003 7051501 5175925 5907788 517535 2612796 1023459 386735 598071 149403 445767 898635 231030 1050276 283288 3166560 449927 144498 609601 924080 1085940 3664124 1096055 1259076 1710566 328766 122509 1083504 24085 948795 178205 111720 532040 2798781 205279 771047 531142 1853461 25457 232268 520418 192565 126858 839870 518498 2907168 4080677 1138639 59334 892555 382500 824493 264124 501326 7249 218243 312741 693881 476601 1080070 2497948 1743129 1480012 749457 100851 801005 785657 759521 649331 560796 526079 790460 2899753 1961217 461878 365432 315991 1741257 41942 130263 206979 736627 2000227 1175681 1112109 172344 1546231 264115 218888 166141 1115152 472351 393951 1206798 1206461 1214519 559593 767532 593841 6515305 310867 643516 1334281 1642224 729515 756164 171380 137057 1504582 412850 130866 84661 173665 17109069 660818 248764 324905 843398 433521 211247 1686722 777597 132537 1099710 98464 1004705 651389 906895 542779 1383384 980759 1030863 387714 241670 843521 496047 727913 474327 789086 1208044 437358 806792 1340375 1439150 251487 291517 921983 204011 1723299 234798 219779 73856 937229 468555 629447 5281685 1613515 463508 495397 225341 249042 3675773 477877 744214 3463214 1866154 1347328 5287373 346761 1097724 824524 22943 2733561 699518 304807 C18:0 LPC 18816 3908 978 2224 3419 21793 4566 32373 20740 3167 1744 1558 18607 24026 1813 1371 39567 21423 31186 14707 22955 28547 8481 23250 7383 265528 31432 18234 9918 31519 1931 10643 24420 139 10626 4049 2785 8931 42757 31012 103975 7725 3734 9746 4357 4802 6379 4677 1472 13092 38731 8242 9890 2279 7007 347 9927 3900 15168 998 4455 18121 7962 11568 10596 10758 29219 14253 67505 21830 21589 29622 12402 22458 45171 3932 8375 19521 1167 3463 382 1809 1212 154 103 22311 29257 7161 7157 11964 1487 2298 2854 2956 3980 22588 7383 5994 7166 12849 245 309 71378 9030 4780 1162 115 5829 6657 13241 20329 10316 2340 2163 2914 55013 15149 672 1631 1372 843 1082 22547 10683 962 346 204 262 4525 7930 24499 2379 127 27937 556 571 1043 17380 4427 146 705 153 4124 4617 120 4604 1263 3253 2322 408 37802 42057 1797 2100 6085 121 12820 9600 11997 75769 5056 3485 154359 5872 1306 20924 13308 214 561 C16:0 SM 51419 3396 2383 5615 5524 28941 8898 8705 3844 4239 1517 837 36814 49232 729 18151 13052 17510 11997 14925 42016 21573 47378 7283 78595 13742 9405 11106 15077 1301 3394 16673 819 8347 17753 3477 5432 14137 12117 45316 3364 1568 24737 23175 154 4712 4328 7751 5026 11184 4629 1208 2397 4278 33851 4824 23204 322 7348 41596 16169 4378 3136 74152 6117 16702 92210 10908 7133 40564 10882 21106 25519 356 4422 3139 10711 305 1693 315 2457 610 409 1962 15748 11367 6942 3105 8109 3081 3150 2239 1497 945 16096 2881 10978 6534 14193 569 159 13105 6619 5176 131 23587 24461 414 4788 7214 1999 134 175 11231 24252 392 1172 237 3215 8155 20956 24183 1562 2561 1888 8021 1888 1617 327 4221 757 743 833 1648 575 3503 1456 4222 238 807 3775 531 649 6199 1183 739 695 282 406 6758 13897 9227 428 3717 190 12533 24698 8135 14708 1047 1003 18913 4144 1742 216 3715 4470 1167 1524 cortisone 9427 1398 12467 6615 3902 1618 65 6422 1474 2553 313 3978 2919 867 2956 1997 2735 1298 814 1448 219 1207 3187 3791 1165 1848 2588 2246 227 17913 11304 21723 7656 14649 8644 13742 62 540 707 669 307 130 1009 283 235 329 404 1126 357 953 386 158 1355 114 221 89 6060 630 8328 4645 759 219 1143 2315 342 185 224 199 123 557 1276 931 2425 4448 1280 5420 1041 6081 283 978 274 723 128 252 397 7176 11164 1608 207 4052 311 7681 11796 320 2140 4837 47 53 546 2772 2763 1899 741 69 509 1146 1642 1292 1270 467 9856 7370 294 578 715 5455 2168 56 104 655 449 120 452 301 2577 2157 5130 2073 1888 22486 23182 1799 626 888 159 2980 9297 1433 5084 8613 ectoine 5159 21360 5497 5813 2922 2177 1583 18044 1024 4478 8345 4031 1317 2860 2234 2223 8059 1909 559 784 2508 12215 5081 1860 718 1727 2179 10890 1449 1605 509 368 1200 110 475 1278 897 797 5272 1298 298 192 4082 3924 11576 798 2713 15522 2462 8554 428 1288 2953 757 345 3421 1656 2669 5554 33409 2828 9493 704 1641 1401 5804 24651 518 334 582 384 3393 2318 63 1655 962 1467 4004 1294 4827 2558 3898 986 5036 2118 2479 1014 2729 1305 2276 5496 23790 23709 3274 1293 9180 542 2494 975 2380 954 6536 723 1789 121 910 8030 1207 1191 9573 1081 6199 5082 3175 1558 2815 2940 1019 2594 1997 2814 2752 2148 2168 1878 3709 1419 6973 119 1197 7171 32614 395 3211 7191 4904 2247 658 53973 8351 1924 9671 5720 2130 1250 1042 2215 2785 1369 1821 13115 8832 466 1729 421 787 213 553 3355 2024 195 129 6663 823 20087 1104 1650 1627 816 251 4662 1822 605 1748 21589 1715 205 206 1769 1249 hypoxanthine 1361193 2011099 384465 559967 598434 3881513 1567110 2327991 2020679 1803444 761827 498300 1317611 1604880 1222283 399943 914424 1960862 2855452 928874 2135500 2491711 2080285 3201350 2183348 2170502 1931119 6957155 1689708 2855316 1489182 1132550 115781 221892 1287841 2176715 1598664 1059689 2440457 1150929 892370 690782 1066144 494452 799851 1337317 1303312 1112470 522343 926421 1179055 1075176 1269303 1025976 459521 662112 1228322 431583 1497299 1387772 489977 990040 602144 855841 871276 1256652 779431 1304498 832163 725585 576811 983519 1215109 1344558 1129368 556808 992550 1982700 2157726 870157 942708 480443 430493 613255 435809 421221 812695 1558388 1275388 990708 798255 1183112 1072200 575670 851457 1239611 1408075 1293180 887385 758963 374678 259575 500133 919966 3066497 900933 883778 845371 259108 1378241 1461993 801640 1040441 919951 823770 438629 917432 1872903 776367 458629 1254695 765828 793259 1779205 333883 717385 1262810 2833885 521940 665846 592744 2718244 450494 1344261 1006676 1506995 688078 257617 1047317 3959728 1118166 109750 181232 1787823 501182 234509 288237 929882 1122753 320097 935407 750505 375832 666012 793124 615849 349721 950727 402198 484914 559217 2289169 1369582 1033001 1376989 818069 2253048 825325 1376954 1024121 1242535 870555 1730039 507456 828439 1106007 625012 613239 924716 753164 1-methylguanosine/2-O-methylguanosine 3774 1986 1475 910 1585 6773 6880 7634 14134 4492 5470 1389 5752 3945 2061 506 3190 5412 3147 2063 1267 9322 1721 6585 4434 5690 3870 12962 3118 5192 3122 2751 6455 237 5272 3718 1904 3178 5543 8309 6194 983 1092 1679 2415 5512 3922 2378 1997 2659 4782 5132 5616 1560 1435 2026 2152 1133 3978 7681 1720 4013 1321 4855 3278 2831 2958 4845 2741 4082 2123 4386 3439 4220 9872 846 1543 6044 16646 2034 4764 2356 396 2537 1795 1538 907 2528 3706 3737 2158 4657 5894 2093 1808 6328 2445 1805 5655 7637 744 1507 1997 2809 24135 1691 1655 2207 740 2539 4292 4551 5173 948 2044 1379 2603 2257 2879 2477 4104 7684 560 1824 67 2721 3170 2059 1895 68 1149 2803 1230 2787 11656 1980 3610 868 2926 4285 3774 422 361 6155 2831 899 1235 1795 1933 1682 5355 991 55 1598 1705 1044 546 789 1964 1633 3506 4591 6280 1833 4381 2092 9909 7122 3590 6958 548 1105 4661 1097 2361 3046 4274 734 2347 5089 1,2,4-trimethylbenzene 8584 11454 8558 6111 6356 8223 6892 5528 6247 13318 11002 6025 7757 5325 10284 10256 8091 7726 4125 2952 11118 6298 5651 4838 4661 4147 6068 5451 4766 4268 5032 5297 8049 4189 3958 7091 8130 3505 7311 4068 3008 3131 2018 9519 6388 11862 20824 8805 7268 3286 4124 4112 7275 5028 8432 16692 11384 7242 3311 1122 6036 6850 3869 5033 5033 8408 4229 3914 7808 3820 3980 5263 5990 4296 5938 7518 5780 7365 6311 5793 4194 8157 4440 5803 5427 7229 6608 2883 3534 8074 7297 6987 4127 6753 8820 6474 5737 6665 8177 15813 3205 4161 5443 7030 6375 8141 5751 6092 5178 5250 6253 13773 8734 2878 5917 6039 7072 7021 4244 240 9994 12935 14066 11678 3794 5706 8660 9820 4081 4340 4681 15099 5259 5540 7918 7427 6782 4738 4869 5657 8744 4612 5468 4503 3688 8642 12068 15762 8016 9836 8382 11467 4414 7076 7176 13623 6997 7370 4292 4925 2817 2586 6353 6289 7239 7179 5607 1150 3488 3069 7911 9424 3586 3446 2742 5644 3691 4295 8281 10617 2'-O-methyladenosine/3'-O-methyladenosine 545 305 100 7189 32 41 78 576 347 611 328 179 192 1050 2180 173 443 24 61 287 30 32 765 112 20 653 57 27 66 25 105 103 118 493 107 46 29 35 371 48 41 980 106 630 249 137 249 504 225 130 181 370 77 35 55 223 214 213 70 106 57 80 243 396 34 52 92 98 519 42 43 40 112 27 48 185 28 172 168 180 157 858 375 271 351 77 52 24 79 215 421 37 2010 649 229 462 2837 3-dehydroxycarnitine 235794 1576048 1450533 3290145 1659105 3105111 3197636 20521447 3191201 2182831 4509796 688110 2147627 30637414 429211 659525 1839036 2114298 2262691 9628547 1027058 2826540 38841802 32086170 16079172 4768436 19130211 2887248 10063365 21096794 2158845 1251982 1928045 507828 1355601 1521774 1859724 15106363 18825717 3303236 2011424 10965013 12036566 1124749 2221550 1493579 3609694 270664 3182906 10371198 3771042 4435493 910981 412611 6102239 2538240 6098801 490935 4336045 371929 228121 205122 2814329 345920 242643 535976 1686822 1483705 11898382 663273 1502155 1889166 1103022 1733071 1211196 807030 2282762 3485002 21625608 1083900 1490295 589312 592109 970746 288910 803794 1057539 2978640 10791375 733391 827005 1196535 2275894 1978580 1453791 1840754 424104 154462 1688875 1528924 1318142 2691405 443814 1368347 2854533 545488 583743 7180869 91624 4543897 575054 577781 299487 4905318 629619 373698 309986 367283 22151231 8886684 1026612 449659 859121 809752 649806 1791699 2453630 238678 218799 189764 842378 2243959 1180582 260660 589444 170172 208695 98995 333030 359483 767289 645667 836297 6565307 425257 1479559 1756967 7022778 23527776 223253 624150 777320 187643 353055 961173 314725 201625 572820 374916 327304 3184588 4485047 2246341 194918 1858345 657430 14172675 1618749 3066212 6539939 1826112 1297184 18185778 7006921 268401 328056 311664 1396955 3096939 4222627 3-methylhistidine 51434 6682 13055 13928 6945 35097 161423 206564 18939 15924 3871 5435 36827 37125 3196 5311 14860 13052 3205 56633 25959 180217 57521 108013 17023 571200 30480 11788 34238 17216 2260 1506 4544 496 2330 3273 2157 8145 27458 55262 38394 17175 16409 3494 29919 1409 2282 100703 4825 35782 8822 13192 2227 1049 5076 20711 5405 2361 44436 48136 17951 242580 71827 10885 7538 59173 3105 3885 10420 1511 1659 30622 9947 1322 8326 603 9812 187480 108649 6447 4760 1940 2082 4403 3785 1265 1866 31803 10084 11038 3990 17826 17914 8244 6357 10568 574 31245 12734 7302 6649 22805 951 245 14012 4212 21441 4052 2120 192627 3848 14921 33922 2643 3627 2841 3559 1077 1118 18258 24648 4989 1701 8385 2040 22716 16495 7843 479 474 5351 10587 2071 4573 56552 21549 1042 436 74274 129697 2353 609 339 63302 31617 140 469 1996 2030 16508 66490 16264 821 541 22 3293 516 303 7858 1450 19874 7581 32745 2494 10534 2092 17506 66763 40854 31863 67749 3371 243853 157829 659 3182 1726 2090 50 1457 4-guanidinobutanoic acid 692 1444 912 453 558 9576 24754 8883 37264 9582 889 277 18447 15808 642 920 30464 21853 17001 5196 8268 3048 3770 1672 1313 13408 6750 1286 2687 2487 1234 760 7905 747 3929 7886 2298 7543 22888 5378 5542 4708 18198 361 403 3120 11877 450 941 1358 4006 8097 2182 4171 520 546 2113 750 3112 589 3442 8320 2083 1988 1861 7638 5835 3700 3469 5325 12472 1716 1580 1440 4244 455 658 2278 6189 2104 1120 675 385 916 665 548 443 15280 21970 650 1046 1487 2586 985 857 687 1591 7588 813 982 566 680 406 869 1497 886 1196 680 129 1325 907 986 1186 4334 642 487 499 491 5471 605 360 321 738 725 250 4271 4347 292 250 596 693 3450 961 1290 1322 456 708 280 612 488 323 562 604 958 5361 656 784 522 410 921 1912 1022 527 3852 4961 573 1494 429 508 511 807 1186 542 443 1816 762 2316 3624 8564 6837 1000 1231 3783 2463 595 610 2965 6086 367 451 5-methylcytidine 8001 3344 8615 6886 5815 2408 1059 70 2220 3043 1132 3151 3200 2802 2610 3398 2273 173 557 45299 2881 3249 1146 4714 7976 107541 757 9136 49264 900 177 66 521 32 277 265 282 4263 2468 1411 1628 3740 10508 4422 834 434 6855 12724 915 80 2057 2116 580 161 1002 4936 138 22160 33 1686 1485 288 3460 31203 1 43 6929 53 52 2768 750 448 43 5571 5739 33858 1790 564 1663 2074 1092 1559 2257 447 489 56 116 3221 1289 2089 1 167 356 1207 5487 888 14187 5560 3658 893 139 179 68704 34 3765 3149 2126 2090 4272 39 292 5625 1189 2131 152 637 2357 106 4762 5442 185 350 275 761 90 1066 1109 5292 3301 42 639560 381 93 14141 1580 1074 1872 4765 76437 1036 1931 608 3550 866 32181 29355 1485 168 26 9 45 175 1598 89027 2024 3046 1260 74 750 2176 1656 1124 87963 718 1574 382 1252 7759 247 970 410 5-methylcytosine 548 704 134 113 144 2266 2686 1652 3694 664 189 304 549 860 113 122 7333 147 410 837 641 1259 1162 190 132 1026 291 375 432 319 243 123 2235 398 641 1006 1319 4897 1791 1666 10814 2334 321 3351 10819 3003 4892 484 370 7061 6294 1123 164 256 2857 3031 847 308 1853 268 732 139 314 167 88 340 346 1390 1750 794 5711 623 975 1191 3873 47 102 2233 5503 571 348 197 437 625 376 482 483 7769 9597 1723 2889 1995 631 237 4870 1630 221 1647 355 581 537 76 126 156 312 282 103 364 2002 1366 1909 137 63 334 218 43 324 128 5040 706 1416 1908 190 240 133 879 3003 261 38 214 89 798 943 200 359 173 264 108 136 588 46 44 40 77 168 35 51 262 212 2130 3383 84 26 60 65 2698 544 502 209 171 405 4899 301 241 2708 119 843 338 4195 4515 172 46 8329 3694 91 44 1922 2576 275 109 6,8-dihydroxypurine 52104 76785 172651 49919 60718 111588 17422 65890 74390 102337 96047 12434 58326 44141 27035 24648 72901 98387 60694 31127 63447 49676 40417 151673 137675 96708 60659 131864 84324 89841 64817 46148 9437 6654 20059 46963 106050 21598 181558 15378 12320 6388 68174 39105 57911 13091 95492 63433 16012 27883 17798 28531 68926 29355 8299 24777 77382 36781 54457 33882 14954 50905 11173 9164 44055 84629 25509 27937 36331 14613 8731 40884 36549 52843 83159 53773 68202 40574 48758 25640 73739 63671 24018 56820 34681 54288 31456 54794 38495 61937 45205 96894 66736 31161 18723 74178 35023 38983 42445 67307 42714 87971 52678 119383 113854 19940 21400 31256 13762 56694 71298 177200 175869 31133 44196 55859 57771 53171 48901 16460 74105 44993 43146 76165 9721 25659 30026 118851 14802 4831 53877 99449 51171 114385 543318 32001 65691 20214 46746 105001 61889 21088 23780 161880 82487 75532 42096 72884 82231 47283 145538 23957 6290 21908 36576 26808 12567 38528 31367 33357 13634 17661 235453 40158 13831 83625 54219 21049 26506 18023 50957 91336 31255 11435 31065 108020 6292 19245 134005 94001 DMGV 197261 984773 53402 1746975 139890 32508 33009 276957 10241 318871 37195 46479 422763 137780 142402 12402 32338 190418 247815 15686 273942 53612 9208 15206 601836 206979 327479 2104354 52346 116755 1191825 29798 299609 67493 75189 4497 19281 5914 10444 715896 29179 40348 360652 7650 25745 98773 18292 8688 48553 24501 143289 1592007 474278 73660 782115 7183 29398 10002 8210 11579 176312 1421578 91350 88639 644767 468648 428802 1738488 582060 971900 591005 1325314 34323 25336 60943 24726 48329 33642 9442 63432 34466 365087 270615 363192 526502 864277 155946 63430 89267 473108 238649 17783 613504 18136 304642 398388 599960 6204 267819 2886 279675 103461 209984 5871 3440 37550 22284 462549 1618446 384385 59852 606116 222988 162052 44413 147793 133223 258246 247954 156996 596155 350649 142209 73436 844644 584603 791854 907195 41860 106554 704730 411309 208229 8315 65322 2685 9521 5139 295525 8542 112433 160247 381289 1662751 112048 7452 3788 6083 N-a-acetyarginine 13520 11207 10816 16688 10747 5583 8137 24986 7436 19772 14979 2074 47469 57316 4361 5117 49541 22075 11368 19504 24274 8607 22068 14956 7094 19861 12941 15785 15612 17013 10463 4677 37746 779 5292 10011 7774 4554 19408 4497 3523 4445 14134 37578 79656 3018 12094 19947 6500 34941 14407 16925 20008 13372 8610 21645 11480 7283 15813 15211 8252 18713 3881 2631 15359 32751 4964 9598 51702 4558 9324 48085 18876 13501 39430 12697 26626 7431 23558 3879 30843 25954 6554 28927 12580 14674 4925 20518 18103 24423 16779 23471 33330 26581 22101 31894 6944 13575 4673 14494 60090 18114 24343 36400 4473 2703 12292 21999 2553 6233 15125 17384 19362 5126 16833 20024 12322 13824 68461 20609 52037 15610 8638 19154 2530 3314 24567 112000 5610 748 5344 13936 8353 15166 29199 40050 26283 20221 4911 10459 8252 14013 16722 21784 9466 6129 6981 6950 5948 19910 14449 5486 3566 7463 15028 13908 6259 9189 19404 3661 6699 8340 51241 17168 127293 32272 17298 13280 10711 13703 14972 14767 4892 2512 7333 15022 2132 3357 29398 14099 N-acetylglutamine 3765 3789 6557 5954 2421 1277 1462 1805 3966 2028 2605 119 1781 1450 1036 802 1228 1353 3253 4304 3146 981 2170 2309 1747 4026 1887 3506 2952 3653 1773 923 2581 218 1098 1746 1803 4164 14929 1295 3605 677 4729 1288 2015 728 3018 824 140 2396 3658 1232 1908 1173 752 3443 2553 1766 1206 2184 644 2033 735 421 1178 4089 763 1241 2523 488 421 3143 1094 1805 3580 1984 2450 2278 3199 1598 2284 2850 1801 1998 1731 1165 2042 1917 1700 853 700 2197 1729 891 783 1149 1665 1881 1663 2713 1514 2652 2408 4480 1219 1657 2939 1315 741 1823 3634 1976 1113 3403 1560 2685 1754 5748 4731 378 1536 887 1375 1920 733 405 1043 886 562 171 2084 5146 3282 2471 8460 2136 2424 340 621 1569 1596 1916 2374 6470 3272 2557 1480 4892 2578 5782 4937 913 575 4018 4932 1862 940 2385 1193 1016 455 1487 4721 3074 2923 2562 3446 2027 1016 1321 1373 1675 1017 338 1274 2365 271 752 1959 1641 N-acetylleucine 54694 21516 77304 48920 58627 19796 17254 39764 28719 21609 56273 35742 43450 82985 50557 33118 41630 25223 12070 13079 11706 33887 23107 22206 25087 34066 35089 61524 39661 13745 85936 46951 22870 11820 17460 27187 17470 11956 29435 15616 9891 11514 37920 23367 20469 22728 32678 19543 50892 25790 29882 49683 41539 10699 12720 20787 17357 12324 43313 53665 16189 36768 14226 17051 22577 29464 16215 22238 16391 20692 7929 26074 18438 13445 17655 24397 59435 21238 26551 22762 20541 33462 14540 21486 8549 23781 17240 15755 19370 35059 23386 29189 20232 17317 12095 50906 12618 14683 13508 30539 23421 20827 25461 23904 20887 10368 17441 36810 25463 19908 21989 43852 26442 14287 18118 26779 27557 28650 14539 24674 39913 19668 22894 24844 52945 6742 25296 38257 23684 8911 28332 26444 18170 27645 47661 20602 28811 14962 17505 51841 22812 22728 23713 17875 18784 19991 20248 25263 24628 21067 42538 19624 8037 28415 20901 28007 18172 19986 16196 35766 11355 13766 29866 27763 29178 68756 13872 12966 16201 18337 19163 21564 34714 7362 191083 293957 8101 12761 30487 31847 N-acetylornithine 13700 9049 18536 7179 7278 12433 6263 6784 7510 8841 4519 527 13974 10290 6722 6217 8646 18988 15694 15407 18545 23259 22824 17089 13099 21994 12714 35983 16838 17355 8105 4471 16307 2578 6167 8243 14341 10793 25754 12792 8435 7217 9427 2979 5701 3945 9818 5412 3985 9838 10128 13262 11100 7008 818 6670 7456 3674 7642 14154 6129 15528 4871 5506 9110 17701 9994 6180 13047 4546 7929 8637 3630 9981 24549 6582 13799 7700 17262 7647 14464 10805 5812 8597 6720 10144 7842 19024 16169 9623 4891 19434 15942 8502 4575 15204 4939 19903 4832 4823 8293 8127 6468 17286 10653 3528 6101 8269 803 5630 8517 12175 8430 6039 7429 8406 10333 7108 7616 2324 9763 7508 7425 10550 950 6028 8892 13522 1705 569 9872 11657 5763 12493 55738 5944 12374 4103 2829 8564 7796 6260 8379 14982 8796 10539 11428 9260 7585 12099 18162 48259 2035 6862 12075 6679 1949 5433 4397 3850 4851 12020 30704 7847 56061 12413 12233 10713 9181 7368 4519 5273 6964 3643 9241 16517 4910 10441 28377 14527 N-acetylputrescine 10059 75505 5712 4341 7289 75122 422504 230847 523777 26913 8250 1853 14670 201758 1568 2802 3373010 588281 104222 724918 158950 250780 389232 125244 37879 895141 1379341 56651 338838 79350 34117 21208 669949 30134 149352 309952 83020 747467 5443933 879278 694660 937230 3945519 2125 21918 27707 55173 21882 37681 265840 493423 421503 61907 37887 5697 18670 78590 9145 344039 34289 53317 74912 373251 568589 40683 963535 194182 101134 341618 14494 54804 12359 17609 12726 37793 10172 7098 277013 2081041 2879 6394 4331 1773 5792 6481 10683 13647 1395380 3010032 4402 3622 17948 5557 2053 2601 6960 35047 15816 6970 11941 2700 9863 2457 16144 233026 80268 81254 24531 3121 50541 59125 31781 61797 83072 56516 8726 2645 3965 116616 62411 13194 8833 2059 10248 8651 231474 659829 12611 3248 3541 4952 105080 9342 19354 33182 4908 18238 1928 56028 30230 13227 1315 2095 28510 42457 3160 4491 17353 22535 5507 23984 28740 2283 4298 11477 11294 5599 9116 5340 5473 507187 959462 41514 3851 28960 12817 202137 401968 669436 881972 13715 20349 1702376 109098 72066 9626 99959 469165 13051 15017 N-acetyltryptophan 9663 18471 18022 12093 4770 9557 30112 9509 32766 3782 9458 1661 5004 15974 5228 4980 8094 7322 14037 54945 24568 28616 34201 11817 14114 31642 32845 24175 28147 23756 6147 4971 17420 5011 12919 21747 11631 22812 40412 15711 26469 15095 20312 5924 6068 6147 8449 3479 12939 11968 39090 12845 13963 4887 11662 19804 7643 7897 4717 4603 3115 2963 2308 2235 1954 6480 3039 6663 21225 5616 8556 6376 6701 6586 10486 8712 25716 11997 31985 16308 15275 12800 14430 10976 10350 13059 10903 10772 8065 6065 4424 6010 3567 4304 2883 4228 5860 16984 9552 9971 7760 9697 6507 14998 5393 5176 8033 7194 4631 7030 5764 1248 3147 13215 8419 10460 1550 3276 18307 2326 7565 8825 2852 9482 1811 13186 32590 5786 6117 1255 16100 24574 7617 4471 8648 9052 8534 4993 8528 9878 6632 7413 9111 12250 18368 8873 5972 17028 11762 8669 13048 6735 4110 18727 7437 4114 3221 3738 1506 3897 5405 29607 6219 7185 1351 8829 21735 11214 22868 27752 5230 6554 29800 7997 4725 6018 7580 11336 7911 7152 N-acetyphenylalanine 99601 97124 201705 168641 104286 31069 42408 39036 105038 56857 102553 32504 76300 126574 152790 119963 73075 47843 90357 111444 99571 58861 72130 73300 56433 172930 114115 113524 88053 121964 54808 39201 71601 24383 42791 43723 68645 45041 57614 44549 41113 34904 58236 57256 129615 44342 57488 37843 42082 38973 56768 70842 67110 69201 35499 106061 75474 52757 18311 68131 24398 37472 23635 34568 30361 68198 26921 26094 34904 23984 43153 64602 70415 36685 39408 60876 132980 70115 104200 89457 116906 127042 164365 121232 178484 115245 101574 44205 42749 55994 106191 106745 114146 44203 22551 63023 54789 85812 74474 93615 70534 130028 74588 70048 17118 32242 58578 53788 32655 61424 62367 104160 68475 58502 74183 179284 63945 137620 112699 32835 61514 43606 49333 113668 22964 17669 37026 78087 28416 16212 110028 125130 112282 57106 113575 60609 58985 43642 62964 76324 60131 77999 73950 92606 157225 119725 68318 84885 64205 114779 125639 56244 32955 87488 64996 62422 25616 38983 55073 73262 23418 50597 90133 125621 34715 89220 72725 33878 76310 67237 69076 81310 36077 38837 51631 202050 23711 35415 112791 91351 N1-acetylspermidine 627101 2150683 620188 361173 501831 2416470 2827134 1282595 3006759 742447 403493 42749 373174 1329751 158001 171205 4513535 4303967 1486877 1046069 2172844 2531707 2393947 1520658 1469772 3763192 1696659 3696005 2258893 2351351 900654 919450 3224548 666759 2495107 2355208 1716143 2617870 7865099 4446450 2228362 1797235 4614456 2444086 2797470 1440150 2908576 820524 562080 3071107 1983914 3898519 2398522 1501201 570429 1642389 2185274 704630 1420773 1229845 177767 442684 331404 203654 529343 1597421 745654 1128335 771663 910712 2338460 380467 716174 538749 814091 349844 750201 2428016 4468090 496387 749214 502919 325443 596623 315132 295137 239468 2831980 2839452 303721 331210 1535536 330583 180465 360116 530822 1861834 686391 522499 379568 136337 622654 425217 1244861 1295303 741629 392051 856552 103890 1250477 1198718 865482 828387 524800 719962 375308 1081897 366014 826525 332822 1256160 800813 308283 1073800 114192 1859914 2526644 499355 192918 176682 355053 2860848 306735 2949394 2698413 858569 1963729 151615 1072308 1324298 485802 105525 145195 1776907 1622678 48682 271157 1132241 898892 330065 1070628 868159 357216 612347 587161 858333 192553 791051 167249 176569 937755 2647636 1715554 440467 2569093 544047 2265801 1502375 1826249 2263495 501843 630908 3843247 1129360 537919 895531 1792886 1299436 424975 615364 N1-acetylspermine 138439 121050 23729 19921 3387 380168 275566 263737 174564 154918 44813 6321 52031 185889 5873 3464 629079 107901 58588 117788 81245 1079616 550026 396971 254714 1047348 240812 335200 351735 265520 65476 39745 65360 24214 171143 106673 73653 137783 537091 212911 77743 104316 407440 25372 54387 16269 84416 40032 43740 326839 108392 171612 42595 23955 27783 60942 218861 52966 97334 137942 67734 132870 126184 129007 53297 387850 189922 31084 107247 56161 54024 57670 70602 21642 69351 11613 53602 101908 300321 22541 31527 20225 11085 24350 39055 29612 9151 118800 148599 13633 27386 185432 62006 29309 36301 90969 60245 134272 47797 22285 60432 39068 67145 100886 162530 112891 34012 32449 17166 89288 52364 64225 74910 85205 36190 26510 20102 7986 26484 27316 112936 56191 17638 73399 1212 168716 139798 37811 15298 10318 20878 201315 9001 78769 146650 80551 65632 13467 112517 139645 51583 5978 4081 137696 132997 7722 21357 21897 16501 53344 17138 7246 19421 13277 46771 13090 44300 7642 8997 42146 398465 122860 39102 49847 47858 129035 161006 124155 223191 47928 44204 541543 79648 32898 51764 48065 36982 22125 47924 N6-acetyllysine 75987 36700 71134 44009 33490 33852 53529 35503 90561 47673 52982 7061 43009 43727 12899 12236 40686 38069 44355 47505 59985 26367 28794 36027 22294 70453 31502 47720 42105 30557 29929 13875 39229 3363 19064 31963 30334 40170 178528 23016 47328 21464 58696 19040 51676 10957 42545 18280 10326 36558 31507 100166 39689 19731 6708 43117 41849 10594 23244 30693 21599 35774 12396 14548 29072 62476 14098 37089 43709 16722 36038 61119 25907 41060 80699 40417 38839 20759 42061 10238 37488 37554 10565 25320 26652 34658 18378 44164 44422 26732 28441 60741 69392 31873 23340 57334 19454 39801 15033 43160 41213 27627 38036 61804 16704 13099 23877 50905 9036 23878 45421 38808 45671 55257 23405 29207 18423 19687 58283 31120 58597 37312 26598 49704 4330 13587 39585 70600 9606 3178 21640 50315 40945 37019 122453 40273 41026 17890 11933 25090 24441 21618 19723 93746 42483 22704 21462 49072 34984 53406 42010 12328 6273 33622 37806 22828 7510 13755 15593 17381 18951 36335 91023 28046 80205 66025 25289 38528 35023 33571 31199 37597 25204 12023 26651 37438 18609 21994 74864 60884 acetaminophen 7190 5430 14402 7787 4976 3441 3625 3139 8536 4062 5419 4910 3826 5649 8200 7512 4248 4714 5352 5036 5869 4959 6432 12255 5084 7355 4233 4655 7627 5584 4659 648691 5383 2760 571713 4831 2939 3647 3197 3871 2970 3577 3565 3334 2553 3756 3429 2110 3458 3356 18655 3925 3965 13239 3212 214136 6797 3427 3351 3453 2201 5288 2724 2951 2233 4123 3535 3819 3233 2929 5111 3853 2449 1825 2409 2556 7293 13914 5232 37930 10211 6032 4904 6337 6024 40774 37420 9970 3786 3778 3759 3695 4422 3697 2391 2727 3234 3518 4121 5497 7068 5879 4177 4922 1953 2975 3517 3892 2855 2832 2872 4859 4616 2994 3636 6306 3187 4611 3757 1532 3050 2731 2595 4852 1948 3314 2801 3124 2821 2127 4262 8103 2472 2450 5088 3395 2870 2735 2595 3123 3605 3424 3568 7993 4929 3608 2635 3676 4271 5878 7365 3384 2722 4356 4375 2968 2516 2671 2228 5305 2778 4313 4257 6035 4471 6125 4201 1475 16282 3223 4478 2499 2724 3117 2683 3521 2845 1794 3280 2806 adrenochrome 7692 5346 13984 7966 6236 1460 2882 2055 10053 3367 8965 2121 16688 8687 6673 4599 3085 2941 40754 3069 7484 2373 4439 3050 2960 4316 2925 3767 4459 16099 3353 1552 2223 1202 1968 4257 2885 1217 3301 3890 2041 1014 2819 1239 4298 2978 4498 3640 3100 1209 1775 5769 2493 4236 622 7011 17123 1256 991 2101 1375 2448 2050 5654 2805 14485 1685 1849 2726 4368 2456 3619 3492 226 1716 2470 8696 4770 4408 3093 4258 7053 5710 4401 8851 4202 3570 3035 3220 1564 3307 4386 4010 1227 440 1639 2272 30052 2476 3238 3557 14992 2767 5832 410 1191 2810 2121 2226 1488 2643 3258 1625 2297 2952 14177 933 3557 3728 4319 9106 1361 2214 3918 2747 1997 1869 4311 1094 542 4382 6821 4350 4306 6842 1775 2153 1459 15399 3404 3869 3181 4710 2275 42178 4323 3973 4995 2769 5316 9384 3177 1247 3582 4424 3221 443 1116 1430 2503 572 811 9411 3967 139 6312 3018 1206 4403 3416 3088 3691 1143 19681 5803 25112 802 3359 7462 11334 alanyalanine 17780 44849 32603 12215 9967 52362 47925 75617 66137 43017 27261 3911 30782 28044 9292 9316 17999 47242 25912 36017 56784 63507 72103 48567 27624 93017 59416 77291 63950 58906 21889 14668 44961 10133 32917 50552 42637 24218 77844 34700 55806 9394 23074 6673 27518 7205 29579 30553 11450 32345 88067 87355 37332 29593 10377 36445 32883 6549 49094 30711 10250 44922 21195 13141 24580 91288 16912 42007 34922 15881 40395 31940 19559 24359 87304 9930 36514 38153 73999 19408 20162 22979 13471 22295 11533 8623 18735 43944 32932 20215 15398 53822 21654 15399 13947 37180 14696 34164 12944 14321 5948 15228 11203 29403 26285 11408 21848 13400 4793 19210 20195 21396 31535 28836 15030 13311 8943 7685 34112 15956 34572 15581 7287 23310 1858 19379 58923 13497 6935 2806 10369 67713 6442 26005 70059 20690 26600 6134 9013 21466 13557 3672 3816 42130 26566 5952 7513 25057 19304 10778 34334 13030 5163 15772 20933 10490 3341 9361 5644 5362 13812 69552 58922 9546 61921 24590 70418 33921 51496 32663 29530 22023 41709 10048 8829 22317 32362 32620 17075 13447 beta-guanidinopropionic acid 99 927 1701 14 16 1371 416 805 601 511 6219 1452 129 557 1544 1200 27 969 196 405 270 802 482 408 95 325 109 412 346 123 214 46 104 9 90 264 223 161 475 174 118 313 762 2279 1909 147 627 1104 20 924 76 249 178 218 311 1339 85 100 730 3192 107 885 246 482 195 1040 360 101 255 65 70 200 143 313 17 840 639 38 56 23 20 1568 1379 1209 1208 2634 8272 1222 429 1143 131 350 687 930 132 413 334 205 273 1708 261 300 138 1923 819 196 917 960 452 620 774 825 50 197 578 12 88 111 12 994 1507 424 1761 820 339 257 410 516 576 742 285 916 77 592 436 657 575 947 1468 701 237 569 687 56 13 42 68 31 237 745 3405 16 250 408 103 82 108 29 30 192 651 723 560 cadaverine 177554 32260 1286 5301 20082 24343 22469 35007 25533 20110 196364 149009 93061 232448 175566 108072 8655 2762 1912 2914 29859 3895 1613 13296 7753 34584 8357 3589 43201 2217 30031 5321 48437 2400 60167 12324 160516 29160 40003 9320 22108 38823 155755 7838 16912 36322 28490 6936 207751 13043 3484 112357 10099 4155 21122 11656 27695 1298 26708 9761 638 473 6058 175 1061 39112 868 69675 21022 61092 29063 75691 9928 3768 15199 1740 628628 268304 673591 2829 2394 2034 1823 702 946 1436 1196 119957 242539 284226 150832 182925 27097 42223 131533 261037 6517 4903 30119 61418 341 10801 25401 25885 164254 3020 67651 77516 227202 46357 8259 3495 9094 2697 2620 1351 2013 16290 11428 53284 75661 68104 5727 23823 137147 2281 8958 10498 170658 28076 62373 40599 1045 2606 145399 32799 12258 81306 76976 372976 24990 4173 4946 2427 2572 7306 36677 14863 26170 153076 303944 9882 5748 10716 15612 3215 1904 6984 9265 53689 213195 457244 9754 26119 21507 279959 102199 167715 2143 11887 106252 59001 552364 85773 12972 126688 10056 12005 236299 202962 cellobiose 770 2455 351 7793 1683 1450 3374 2932 38905 190 8072 723 20198 21002 223 39 3968 9992 6229 2919 1915 1925 1456 5105 731 8830 1613 12454 4343 7762 2679 3705 2031 19 476 4565 701 471 378 2182 1107 7 110 1803 5048 1449 402 345 1006 7580 1828 1012 10 428 2339 5001 146 128 1862 798 593 1978 1184 19061 1481 7096 4807 7365 6656 4107 723 236 8320 458 1237 2934 5378 1248 91 468 753 2174 740 1189 824 3128 1548 1323 376 1836 1047 33 182 643 187 3506 183 673 626 6846 4154 120 4321 1255 1274 45 103 2110 1866 74 3524 1237 66 574 69 59 9777 7527 250 124 410 429 87 322 4466 3 53 1591 3771 495 147 513 87 323 376 1427 158 231 66 408 3750 1225 8140 2530 4028 1324 2538 2983 437 83 523 77 8 71 1241 18717 36109 1304 1887 1811 1763 3366 268 2012 3406 884 2178 22502 163 326 73 36 64 1610 130 cerulenin 334 2876 3517 13693 2067 7495 560 6620 18776 35450 385 3990 174 5924 2650 219 1600 332 5914 536 1804 21239 11037 2392 19399 1708 3324 2726 7489 3414 418 15519 1154 12858 6873 25 43 140 14502 6729 98 326 7964 1094 15725 1002 2705 1432 7626 517 5111 554 17391 3093 20276 12425 9783 9114 1310 32485 11709 30233 15136 4430 6137 198 648 238 762 836 2727 2875 4630 771 359 1482 16869 10162 27422 198 8533 1375 473 17471 10721 20653 798 682 23872 4991 43 4855 43548 5564 13563 1259 154 6580 3483 5289 4045 6765 13114 5962 461 8296 313 8296 75 197 60836 9362 5875 3579 22949 2920 12164 34852 20312 2342 192 3765 8076 313 447 1329 719 8829 3126 10566 362 9195 10792 11311 21583 5143 23149 6771 3590 33449 5021 4607 11188 230 26204 636 2222 259 115756 73778 106 3988 7283 1321 114909 588 2968 cortexolone/2,1-deoxycortisol 16410 9047 22646 13461 8097 12273 1957 3558 11881 11136 20581 3274 16089 11317 3091 7075 10738 12719 5862 13397 30603 3105 667 3672 2374 2341 7101 4202 4126 8739 14184 8872 35218 4004 29029 18493 17123 4895 11212 7361 2240 1062 2832 1956 5827 15137 9368 8099 2487 6096 2891 10407 14923 9056 1214 5406 8678 4377 5489 387 10734 12650 6040 10822 5411 14034 14571 15230 11868 3368 5417 7630 5362 10250 2658 14275 5417 22323 18301 8103 2841 1980 3762 4986 1142 3351 1231 30588 40639 11370 3720 7412 4460 3538 8060 7198 5008 13480 710 6102 7064 15069 2742 8534 1280 4326 5547 2894 5867 5356 2936 5214 4791 24454 3004 8052 18998 4482 21345 213 20830 16962 23760 21586 3810 10856 4978 10780 1238 546 8683 14334 9605 4712 12535 4950 1998 931 2987 7859 16325 4254 6988 5789 16301 9413 4172 5174 1690 2686 16377 5917 1316 5356 4580 2904 1409 4175 2666 5955 1946 3839 13199 7027 5903 11509 15288 2153 10014 28856 13083 9156 5980 3337 8318 9579 1560 11006 8654 13916 cortisol 13437 8558 20460 12132 9362 8225 2496 1227 16060 12832 16807 1884 16496 11021 3370 5179 8674 5519 3531 893 2917 3381 349 3188 4535 2841 7505 1959 5512 4475 9326 4906 13772 2994 5584 12741 13687 3125 7731 6049 1122 105 936 4813 4780 8555 9966 224 289 238 2422 5598 1699 480 3866 4698 2464 6413 116 5409 3300 2656 2136 1715 8222 1129 2443 2762 1567 169 3041 4409 1392 10284 4112 7617 4646 1424 2996 777 3122 5761 1082 5167 2086 105 3906 2267 2450 2446 742 2094 1054 2259 2219 5645 966 7366 5005 12912 4809 12878 1841 5436 1985 4138 2672 5037 4432 1210 3493 1861 9813 15474 3971 192 3121 11741 3059 27698 18367 2888 1003 1842 9451 100 739 7278 8641 11773 2113 7715 3132 1132 425 1738 5003 17576 3893 7391 2592 6143 17079 3227 7187 3057 4319 19478 4542 1790 1346 2423 1120 725 124 1333 953 13740 6574 2886 15333 4424 693 3392 8043 8135 5150 4104 2114 5987 11455 664 7643 7311 12722 cyclohexylamine 29180 25055 28184 19282 19781 25388 23576 22006 20063 17554 14759 16505 23803 21677 17792 24175 22836 23712 24224 24124 20625 26145 18721 26552 22985 23458 19196 18703 17244 16890 29215 26708 23173 17666 22666 24253 21767 28468 29751 13218 18456 21969 15751 23867 22869 22380 24319 27131 28600 21629 23212 22202 21868 24164 22391 16325 18884 20875 23754 21148 21246 20061 23041 17913 20651 19680 24720 25746 19162 21624 20941 19218 18793 20540 24081 20519 16322 17803 16362 17068 19171 19774 18425 21690 18518 18550 14773 22000 20526 21003 35172 30512 16902 21111 21091 28186 23261 19561 19413 18194 19337 17994 24116 23692 20221 21715 18240 10918 21044 13685 17083 17289 20171 20317 19613 20188 37684 22138 28242 26085 20454 24873 19717 17823 23914 25456 22826 17304 27769 24999 20176 25481 18219 21376 15592 18713 18361 21628 20541 19502 25902 19640 22448 16422 27627 24660 24707 20536 28485 16264 15909 22055 25158 17335 28580 22502 22950 21825 18989 21622 21488 17975 11720 16653 23048 17364 19681 20814 23761 23732 20409 20818 21995 25456 20746 22201 23543 22692 22959 24229 cytidine 44519 102561 9535 21862 31555 71975 46605 78084 81552 51122 26145 12993 54476 69698 8963 8182 40317 71940 67536 47462 94667 94662 73995 52536 46651 49822 27088 147757 26535 83176 73552 40256 80840 22781 49637 88759 63033 102995 110177 105118 119773 53457 79702 29498 37335 31813 28378 23409 39264 64919 59319 63321 53799 49482 16065 30262 96126 61264 34447 45854 34042 50238 36311 26971 39460 62309 90410 57045 45434 34047 40269 49014 51520 45026 85019 18220 25513 127692 119204 56788 40301 30494 29937 54915 27766 29358 17583 75014 49838 22393 23298 27299 23701 23065 42710 35635 86818 49657 60647 16492 22306 25160 53607 77344 247198 28744 23105 61360 41711 39455 54412 43079 53868 30775 43833 32900 16977 17313 56715 95119 33924 81535 14128 16927 18824 106922 87084 29778 30815 16777 14348 145316 27974 75475 123890 39811 44237 25290 116130 75000 31322 28168 15725 40656 34759 15306 12764 21272 25073 17772 45163 21850 19405 27273 31193 28717 19210 23676 29030 34798 47106 49162 54491 14794 86402 15166 150800 70029 86609 76607 34027 39799 143645 49977 29401 24622 14586 38050 11613 17927 guanidoacetic acid 35 8 24 48 22 418 5730 318 218 110 391 175 205 3140 829 1240 18 270 19 379 506 435 1237 745 133 43 557 49 212 28 1770 859 2575 96 46 44 37 21 63 1401 1146 50 637 3896 447 268 205 521 69 13 16 49 53 285 21 189 852 8 23 220 34 39 4 373 378 6715 11 73 15 32 200 135 339 30 17 6 209 207 27 800 42 2478 2425 679 978 188 683 25 guanine 77377 90832 35882 43139 31416 38165 56884 46655 48609 69036 18088 37677 47142 48143 8694 9455 13741 48908 77846 56030 103766 66145 55276 72007 85110 118615 26006 84384 34632 91953 64495 29446 35064 14656 40460 112954 24476 122043 77017 113999 304916 71032 88218 11033 16579 24393 22972 17729 36318 112029 45762 65367 104448 40278 18261 36159 87500 28822 26558 59192 52590 109459 72570 79584 83254 72873 130996 66361 53662 36869 22473 52763 37675 42496 111097 28275 70614 178633 53730 43680 26359 28097 14741 26273 22036 13453 12218 39804 41064 63430 42786 59488 56610 30908 87570 75368 31005 37544 37364 53829 18873 19003 56420 75900 53896 13931 37574 51413 16219 44591 54258 19603 27422 17757 23910 27895 30204 12149 18671 47501 62642 231028 17856 26436 13956 88481 42466 15007 52657 13115 18592 109117 45065 63366 56562 30808 45081 20594 51579 36350 61517 20809 13241 118113 37416 15637 23958 15296 25530 33581 23912 8754 13948 24249 46322 32341 16298 24063 23239 25732 34633 44587 41989 16060 101574 30693 91035 45818 57224 45333 32313 50495 50437 20609 58827 65830 6068 17085 12290 17553 guanosine 52143 33577 14694 12191 9589 18922 34281 29224 16492 28660 33611 24044 25488 20535 6272 3405 22146 38515 37426 15806 21091 71277 28400 40898 41992 65702 26744 46127 36255 86204 43442 32296 48913 12432 32290 49372 29681 20185 7869 50517 29358 19340 10650 25539 26143 34353 22015 18857 22182 24817 25045 36660 51619 52187 24809 35941 103766 46554 19418 22982 23141 31906 24528 38423 43785 45545 54657 43513 30480 24417 19502 52676 55599 53782 78909 15609 25946 94997 51237 26732 22011 14792 10630 26467 14656 10822 8399 25422 27038 15042 26077 40722 35878 17770 65690 43438 45791 40115 54209 49965 17363 12491 26552 25779 52333 30317 37689 20392 23714 29764 56987 13138 27243 28239 16987 13071 11447 11796 35663 45184 45411 116751 7783 15475 11678 73923 34097 13809 24427 17081 12030 45306 17201 40380 45639 35795 30539 16537 44944 22738 48799 17397 8640 140116 27236 6003 7035 20722 30835 9467 16028 17163 20172 48540 41157 21457 17920 24124 12679 14442 33555 20268 37778 20185 125279 25408 92118 53353 73339 56725 17455 29245 70548 29531 41933 30191 13817 27593 9233 18453 histidinol 508 4662 2017 478 1084 18012 7046 2267 23410 3697 546 867 657 1463 1008 1578 560 1730 18968 36050 4263 2007 5353 1018 4641 2070 1251 6770 2139 1628 8154 13654 35865 11287 2183 2188 1476 1777 2423 2429 30171 1141 711 397 1342 509 2048 1274 2304 2406 1182 21706 13160 9566 233 658 1079 1152 1884 1715 728 1514 6255 1212 7417 12046 12122 9376 1754 14885 23619 4821 12636 3309 14292 1219 1289 703 3661 2051 1182 599 591 1019 414 593 379 362 631 2667 1232 5200 1053 630 2612 2413 43826 3317 418 759 165 479 96 376 2444 222 613 4197 790 11831 1552 3259 1199 649 745 333 1040 463 466 127 6581 757 3046 4609 659 1575 25932 577 283 2430 611 6426 333 667 4996 378 1112 375 1027 1021 533 3060 123 1397 2572 503 3912 256 296 276 1605 528 7940 3082 4852 1918 473 1235 146 275 2436 2745 5010 1311 3985 389 9870 7121 293 876 384 457 8844 1415 388 412 605 418 4794 647 imidazoleacetic acid 203 2622 976 122 191 4193 4192 9918 9977 9702 24836 5634 22281 8435 54 22 11603 16378 11291 18691 7500 6373 17274 5941 4644 5697 5645 9887 8780 7768 25128 13930 20016 1920 2472 867 284 2527 16930 2943 623 2554 15609 16724 20471 2466 6906 27547 4431 5760 1711 11471 894 8045 1412 6837 459 118 4541 465 4323 4751 1384 1983 6623 8429 2016 1707 5478 2296 2370 10126 3635 3758 8473 6529 15473 7487 6436 15 109 106 16 226 68 193 75 7667 6949 315 386 352 554 238 499 487 3800 6732 166 203 4429 5634 107 1153 1618 3689 8340 9144 3973 920 1368 6338 494 2368 11593 19077 47 83 3858 9107 12478 7581 13344 15240 7270 10385 11296 17476 91 76 127 3678 18145 591 512 611 773 361 415 193 8833 482 489 394 5641 263 111 9387 8906 534 336 7282 8276 9996 8536 180 281 115 424 160 1406 1697 2834 178 5023 21226 5248 7320 6006 4055 9368 13974 1647 1533 13186 25393 1779 4248 7182 5895 m-coumaric acid 1738 8463 1791 2790 376 1395 796 2234 3786 863 1284 103 995 1926 316 249 955 2508 3409 11734 2887 2579 2724 911 553 2508 5259 4002 3647 3841 7168 5963 4409 2385 4281 2517 2831 1331 2797 4482 1577 2421 2775 2453 2015 1018 3035 1032 475 681 3419 2865 5130 1982 1576 8476 1989 1716 236 802 3136 1053 899 1650 4038 775 5288 2747 944 3810 1433 1002 9599 7220 2921 2236 8764 7886 5814 2971 3912 3155 2770 2648 3333 3560 3989 1004 2013 352 1511 773 596 1862 1403 2148 2488 1287 1208 1287 1719 279 1290 475 2413 3595 1033 697 582 512 1497 361 3295 1529 1785 40 1207 2425 19 997 3221 414 2745 114 3459 18823 1504 1681 742 3201 11227 257 2858 7214 3342 4335 1438 667 811 1459 1606 863 5446 1310 819 1067 4360 1622 1259 4708 274 1204 9589 2874 1888 423 1159 85 204 609 965 1536 2463 6613 878 3353 144 4250 2969 969 975 1157 877 720 267 449 817 516 897 nicotinate 77897 174228 198580 64458 67527 166921 106398 132517 236398 168419 126552 7414 90477 160151 50341 41635 229804 152538 117141 94753 127583 87729 130682 220144 161935 261666 191698 302432 166021 199413 114317 68881 22230 28478 53312 134255 178301 70195 634393 45287 37043 27857 153345 24671 79254 27958 108896 107396 54877 119142 34848 121049 114534 71580 19635 67261 161703 52688 83310 114625 22904 72941 26001 44302 65850 165372 69939 74495 82434 63027 69245 94847 56323 108151 207960 39533 97897 91964 126238 50956 113431 79276 49989 116215 50012 74150 78659 130761 93795 67740 51196 210656 103399 51605 48313 138555 83918 101711 54698 93352 24590 83602 62259 208353 160197 30002 104969 70426 6883 135343 106032 165169 171159 59386 67778 92194 95388 62916 88077 128152 122040 59087 34979 124135 9059 127663 120917 111448 25492 6781 67793 214989 57506 148025 606754 43965 112773 20573 43155 130894 50363 16633 36351 165560 113467 72892 68194 118781 103777 86651 222419 30053 10680 47746 80283 46312 22097 68270 33106 36189 17760 108016 289682 84049 147284 130887 130452 65729 50249 49580 101893 118514 102658 45938 60923 90502 16441 21721 74798 101002 nor-psi-tropine 30330 5864 2028 1409 2406 5772 6120 8254 12296 3761 20828 7975 117558 248099 4748 3869 50900 4375 3092 3008 12714 3259 2423 8652 4032 14186 17139 4110 36623 2802 5816 1216 15933 651 11236 5847 32038 25652 65109 9363 7784 21517 250215 16614 16511 22593 19104 7734 74604 18395 2379 83550 2593 1463 18698 1567 13522 751 43869 3480 2807 4200 2984 3219 2507 41240 5956 25182 11157 17322 5756 36368 21217 1861 5691 4630 60660 187773 396367 6898 5270 9569 10451 11257 5745 2570 5817 125223 203700 26792 19240 38142 4869 3188 15737 41850 1824 5638 2473 5951 1825 5830 2524 5454 63421 1518 56485 14389 29795 9512 2392 2484 2752 2545 1985 2423 1460 2535 8296 29712 12465 10226 1350 2871 263742 2210 9487 14100 22526 2080 5206 8688 659 1610 22087 4677 2531 4502 15648 74016 21462 10227 9628 5022 4004 2540 2877 28851 68062 12643 32498 2322 796 1134 3647 1282 723 1245 3922 4409 137067 86132 7277 3230 27641 152700 79991 53424 2531 6459 27478 14188 220956 13963 53356 393298 5735 11812 20974 20586 phytosphingosine 38894 39014 13214 8085 21776 146897 67771 33292 104731 15866 11500 3356 328485 259406 10076 13813 167688 145947 97527 81374 121511 47937 49690 41937 21145 62664 146102 481449 88012 77758 18805 15482 114926 4440 23823 26481 25011 39979 198522 141630 100058 27208 61340 64709 28240 11858 31317 13029 160842 129679 127648 126215 52225 12319 6618 11890 36552 4158 141411 21954 51601 62136 59454 28322 29948 85151 61867 43056 69208 30801 29658 52983 31038 72538 156521 4904 20310 29988 52191 52052 9039 3549 9150 7442 4421 5942 5868 107084 116225 11422 2808 8933 2853 2732 2732 4772 6888 63083 9749 11984 29824 21068 4666 36892 42294 19816 14574 12790 3334 34070 17986 10980 14139 19351 9376 4539 14134 9288 113982 54110 14112 10866 11289 14331 3517 54997 70735 19134 819 48 5571 51955 5562 12348 195016 8180 3265 1515 10605 22924 10838 4784 1965 18996 16251 5396 6170 5465 9951 4928 15131 66019 2072 5668 5634 7248 1979 5588 2139 3989 53284 85174 25253 3884 80978 6281 54013 28276 63108 65875 3345 4224 117051 26276 4522 5734 45382 66176 15024 10908 proline betaine 746742 734970 476138 10466 46779 223106 178993 317058 572444 51910 167484 18009 123680 893031 137058 55188 746825 379202 303163 602054 425312 101179 240594 793885 321628 5104296 815905 1772753 47771 294134 63576 149685 144920 492794 270748 307418 324848 403599 1717226 1726423 1733221 624596 2290542 93505 310096 22106 20095 233309 433351 259635 18171 243639 960729 108314 95966 293736 247882 37292 167258 534053 429724 1135477 215355 830184 132664 874025 724166 151465 75489 76081 227452 291388 258347 193458 6588816 123963 43065 78397 611448 103484 54566 46361 47392 294968 37383 66804 22836 852526 1346143 95327 47807 53266 106243 53063 20533 223949 262839 1006389 46536 52842 437828 1879434 176896 337330 440436 339908 721651 38489 863017 4186109 603846 64497 1165156 537965 32182 47711 882234 53986 742290 108814 437339 26434 38341 137243 12980 671485 536149 38257 50097 158552 42425 1033535 115571 6940299 7556610 6951824 6478720 64732 2654335 1644052 606924 3664 7637 472742 59603 32270 15667 43696 136600 1664209 702855 48104 22702 25752 175850 238635 97581 235717 15187 111370 228853 616089 287383 475789 274763 277656 317830 39055 470519 355562 38208 51411 19705 65597 69394 636873 129457 201815 37495 39869 pseudouridine 26626 20682 31378 22480 22046 24730 8910 22576 265535 25102 27338 8702 33423 35294 12334 11438 28003 19113 72980 38483 18421 12281 11637 32483 26541 21268 19420 47047 13730 19666 16157 12280 16173 5606 8551 20724 19646 5091 45559 6744 10576 1608 19231 17852 19014 36142 21609 27869 11766 23973 15392 15526 36025 11651 5432 13349 14936 9722 10929 29179 8549 13068 4253 19948 14343 21791 9529 9585 12086 6651 5142 17319 13401 23019 34247 15608 29555 22043 27501 13856 40476 28060 11943 14029 14609 22436 18688 19512 12719 31184 15646 30477 21141 13430 10597 38628 8672 40582 12380 27076 12453 26745 18992 38560 52193 6890 15466 17394 7484 14225 17404 45688 43368 9872 15397 28080 27100 36353 12859 12297 25015 31611 18730 21439 7555 13329 9974 34955 9153 3820 24936 20946 17486 22256 84098 11981 16564 7349 125204 38687 22825 12552 14425 34995 22373 24490 24454 19109 20129 27886 43379 11842 3290 15471 17347 15922 5162 11146 12158 15601 9704 5883 53962 20480 3048 30982 22755 9556 34599 36395 14923 24407 14417 37028 27009 46944 58800 6083 43361 42843 pterin 15959 6068 9421 10056 6873 18241 10207 13496 12588 13375 11977 11895 20579 12337 16556 8762 7314 8183 17421 6338 19852 9452 7931 12038 11819 22135 10456 55460 8633 13231 11154 5017 5755 152 10345 12058 5850 13438 28740 11831 13755 6174 16708 19589 13991 10521 14324 16783 6127 10873 10094 6653 10411 4427 6260 9824 3778 2923 11350 44456 5598 9940 6120 5008 7324 11582 4541 3737 7029 4847 9651 8682 7084 10416 11502 14901 10033 10109 12082 10461 7283 10747 7940 9564 7309 8179 7310 14209 7155 15343 11965 12667 24403 6787 12559 16833 4323 6712 9382 6563 10944 3976 8234 10572 8603 5067 5789 7177 3385 14072 26492 11357 6459 8954 12744 7474 5631 25648 6545 5116 7571 3712 18926 13921 7068 3871 10741 24401 3404 2223 10048 11120 14807 11825 9264 12800 8604 4156 4530 17522 12740 3990 5103 23636 7222 11746 4817 15680 27290 8654 11646 7289 3228 10244 16284 3629 2370 6801 1701 6019 6577 17906 15825 19676 25800 14940 10735 6453 7530 4148 17836 7687 6824 3413 9054 32055 5351 5699 8005 6801 putrescine 10757 33791 6361 6529 6249 32242 62440 41050 74142 13709 6595 2093 12677 32499 8905 14388 55960 25349 22724 91189 18443 26318 28423 21819 17704 100025 80819 26381 48409 23862 18642 25702 82340 22224 39276 49225 34781 66359 224811 54239 86956 114285 138163 5200 22240 20635 36805 13062 10122 31426 43020 67700 25426 15212 5615 16449 22331 9782 52941 25690 16615 13519 52466 46709 13725 76283 49865 26530 49271 17492 45106 10352 14868 14154 17817 9192 5437 25300 189420 9830 8974 6036 6351 9961 26665 35052 37201 86071 122507 2735 3484 14229 5129 4230 6940 8367 13853 12813 13648 19582 4577 8175 2454 8992 44595 30645 18755 10923 5697 21496 25063 31220 38841 18823 19566 11410 5017 8987 12317 18266 8630 7856 4170 7927 5024 34792 78370 17028 3811 5160 7221 38291 22580 9622 7817 5241 10360 3227 22810 13358 8829 5028 6157 11200 21560 1621 5176 11487 16048 9591 24468 11590 4950 5362 6708 18007 6190 9436 12004 9696 49998 104516 15737 6957 12837 12013 23720 73420 97237 93487 8866 14397 143941 40836 24197 8721 18121 32136 27562 15139 pyridoxamine 149375 71819 179618 132430 159819 104661 55873 80370 115267 143781 158530 59880 296028 222563 117959 103376 198685 117633 96109 80554 172546 77971 121562 149775 86826 104518 177876 266153 136764 144855 214728 75549 39793 47502 71814 117502 106846 83198 340162 123174 56377 37696 132619 234228 238857 78998 240288 101423 120393 225042 77595 173177 208365 62808 62620 180495 73191 59569 103073 373009 68881 131167 48389 84559 108280 128878 93453 109829 101563 65456 70895 167479 84927 150156 239799 116379 129472 88927 83631 167729 182012 278444 118310 158489 148852 195232 243575 134770 101300 188075 84075 143732 167599 44492 94881 200548 79606 117819 81043 232952 80920 138334 186896 264652 74594 39196 93173 130603 28304 87565 92943 120404 79050 69696 106550 162910 66063 211403 115057 178053 181239 133924 184844 173760 81259 71593 106370 127013 33265 16615 182549 90092 90397 122765 362211 84966 123596 61215 42019 107354 139157 88653 99418 250015 140079 81339 125604 130026 116974 192206 261475 111801 34202 74590 136825 75742 40750 55527 75875 68293 42828 59778 263026 99259 108857 59070 94057 88298 99776 71400 83181 135861 111087 53733 113962 154806 30228 117667 295773 202542 quercetin 95 142 231 187 212 1095 508 66 9907 1881 917 1153 1402 1376 4493 1718 6097 31556 45 77 1514 30694 29237 32712 11556 736 1472 337 2195 201394 86 49 1881 163 129 3352 1499 12591 546 2370 491 230 24694 168 91 62 686 3451 171 194 413 950 184 111 92 116 1179 211 796 130 109 313 369 164 2014 85 87 14394 8374 1794 3651 246 26880 129 sphinganine 191341 226699 512050 395646 1471556 344162 143355 146468 180733 105956 108669 77799 574984 592145 932894 1099518 495156 234024 310190 185019 241197 196179 226576 592955 327444 511889 858212 1117009 1031614 477655 109977 102864 194617 9512 93871 163978 137219 65853 915152 80272 47237 28651 580084 580397 449898 211801 1209096 194703 346658 224088 64142 648989 192203 32438 132825 134163 401124 74215 364961 400210 128588 143387 107158 153677 128050 258419 334734 121686 314045 64289 28595 151737 107221 278793 262319 59537 556430 314485 300755 559973 171204 59730 163939 94792 65463 92741 163389 245682 217049 253465 120573 574889 68953 56757 145121 165910 60971 132637 79906 124756 407062 203057 314285 906780 594793 126409 789165 75612 245308 442008 243910 131481 77692 441577 90744 67327 378458 1110191 418763 329563 241165 134947 404838 699078 137519 99527 155032 1024437 20988 7153 148660 310091 342509 145295 1617041 271148 103397 67748 107825 755490 427872 61583 49518 245525 841649 120588 154009 113142 97717 215156 671806 509004 32373 79770 76430 48384 7655 36320 71345 65582 97002 122450 99907 49829 867950 89905 275427 134439 329985 260624 22716 35143 360586 40823 74272 172857 24014 157375 1643274 226407 urocanic acid 303622 93419 601287 185504 67706 36423 13666 57002 28391 55723 126276 13044 127457 191397 45572 62084 77700 47977 21171 190646 38514 10772 14614 105991 26120 58793 110753 90282 55315 62329 25117 3388 9841 5741 30980 45327 24478 79651 372869 11618 14382 7621 25827 37137 78174 11606 24961 34399 9407 35471 184183 24414 49244 10822 10111 17228 18836 5066 10358 43046 13462 87345 6652 25370 30603 41854 34304 13923 39944 6059 8494 28336 12620 14598 31530 46539 72252 52970 85235 33700 74046 73663 23443 25944 29408 26944 54110 41533 33510 96744 20415 61963 86321 28327 10864 65210 6098 11859 28307 115203 32247 41302 72258 29103 73701 4756 53983 58350 7762 17765 11626 73577 44896 15800 29109 44807 82107 101931 32262 24665 22815 79345 72539 87202 4093 39533 9917 165655 11129 19357 91406 121036 84854 13551 76630 19685 18960 7973 9589 80069 83868 116576 61718 42498 12301 75189 29241 25276 28311 192988 225994 36959 2662 19377 53710 39813 16195 8104 31134 34448 11131 28983 7411 23803 71671 90186 25452 18416 41403 30427 60221 51500 38012 9995 21507 58401 22228 20449 82982 35016 xanthine 41041 90012 109149 32509 50833 114809 24643 76370 69943 75105 64627 19212 71380 76710 35920 36020 80804 93205 46127 58641 70377 39789 49151 184980 153828 77637 96074 162087 75091 66180 38744 40937 5608 4666 11004 35257 77591 57985 260778 11614 26257 11733 85886 25375 58377 14551 70298 42941 33977 31336 16442 25310 88222 14891 13452 18268 34604 24594 26592 33390 15783 33419 9386 10397 32555 32781 39682 23018 39908 7501 9157 37861 26361 35238 51659 29475 39816 31449 35548 51031 50098 45875 28430 34411 22825 42377 40256 43691 19157 78829 46392 90213 41071 21364 16886 73846 30108 24636 32484 51746 20553 58494 38984 144381 170104 16696 28946 20763 13683 29950 43788 116600 116448 16760 38284 40348 62129 88485 31243 25762 70245 63623 65513 68375 22053 30669 29439 96796 12779 3893 59170 99616 33008 81868 407981 26523 53500 13038 53122 108033 80109 10682 28832 102629 47594 60384 38873 44166 55282 21360 124765 47670 4634 10241 24453 25269 10450 28433 33310 34708 9477 19817 187054 19532 24125 68482 61730 19534 28409 16077 32041 80639 48484 7345 53859 111344 4157 22108 154766 93781 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Compound m/z Retention time HMDB ID (*representative ID) valine-d8 cmp.QI144 126.1365 7.32 Internal Standard phenylalanine-d8 cmp.QI118 174.1365 6.61 Internal Standard glycine cmp.QI82 76.0393 7.82 HMDB00123 alanine cmp.QI23 90.0550 7.70 HMDB00161 serine cmp.QI130 106.0498 7.58 HMDB00187 threonine cmp.TF17 120.0649 7.54 HMDB00167 methionine cmp.QI98 150.0583 6.93 HMDB00696 aspartate cmp.QI30 134.0448 8.06 HMDB00191 glutamate cmp.QI79 148.0604 7.51 HMDB00148 asparagine cmp.QI29 133.0608 7.85 HMDB00168 glutamine cmp.QI80 147.0764 7.94 HMDB00641 histidine cmp.QI87 156.0768 9.33 HMDB00177 arginine cmp.QI28 175.1190 9.07 HMDB00517 lysine cmp.QI95 147.1128 9.31 HMDB00182 valine cmp.TF18 118.0857 7.25 HMDB00883 leucine cmp.TF10 132.1011 6.86 HMDB00687 isoleucine cmp.TF9 132.1011 6.98 HMDB00172 phenylalanine cmp.QI117 166.0863 6.60 HMDB00159 tyrosine cmp.QI141 182.0812 6.71 HMDB00158 tryptophan cmp.QI139 205.0972 6.39 HMDB00929 proline cmp.QI121 116.0706 7.99 HMDB00162 hydroxyproline cmp.QI90 132.0655 7.79 HMDB00725 ornithine cmp.QI116 133.0971 9.19 HMDB00214 citrulline cmp.QI65 176.1029 8.26 HMDB00904 taurine cmp.QI135 126.0220 5.96 HMDB00251 5-hydroxytryptophan cmp.QI15 221.0921 6.60 HMDB00472 5-HIAA cmp.QI14 192.0655 1.87 HMDB00763 serotonin cmp.QI131 177.1023 6.13 HMDB00259 GABA/alpha-aminoisobutyric acid cmp.QI78 104.0706 7.43 HMDB00112* dimethylglycine cmp.QI75 104.0706 8.42 HMDB00092 ADMA cmp.TF2 203.1488 9.68 HMDB01539 SDMA cmp.TF16 203.1488 9.58 HMDB03334 NMMA cmp.QI114 189.1346 9.31 HMDB29416 anthranilic acid cmp.QI27 138.0549 1.76 HMDB01123 kynurenic acid cmp.QI94 190.0499 5.12 HMDB00715 1-methylhistamine cmp.QI4 126.1025 9.48 HMDB00898 carnosine cmp.QI61 227.1138 9.67 HMDB00033 histamine cmp.QI86 112.0869 9.09 HMDB00870 3-hydroxyanthranilic acid cmp.QI9 154.0499 1.83 HMDB01476 N-carbamoyl-beta-alanine cmp.QI111 133.0608 3.96 HMDB00026 thiamine cmp.QI136 265.1117 9.55 HMDB00235 niacinamide cmp.QI112 123.0553 3.53 HMDB01406 betaine cmp.TF4 118.0857 8.86 HMDB00043 choline cmp.QI64 104.1069 8.12 HMDB00097 phosphocholine cmp.TF13 184.0723 12.02 HMDB01565 alpha-glycerophosphocholine cmp.QI25 258.1101 10.39 HMDB00086 acetylcholine cmp.QI20 146.1174 7.62 HMDB00895 spermidine cmp.QI132 146.1651 10.53 HMDB01257 creatine cmp.QI70 132.0768 8.19 HMDB00064 creatinine cmp.QI71 114.0662 6.33 HMDB00562 trimethylamine-N-oxide cmp.QI138 76.0758 7.94 HMDB00925 glycerol cmp.QI81 93.0546 4.40 HMDB00131 adenosine cmp.QI21 268.1040 4.86 HMDB00050 cytosine cmp.QI74 112.0505 5.85 HMDB00630 thymidine cmp.QI137 243.0975 2.77 HMDB00273 xanthosine cmp.QI146 285.0829 4.18 HMDB00299 2-deoxyadenosine cmp.TF1 252.1061 6.06 HMDB00101 2-deoxycytidine cmp.QI6 228.0978 5.85 HMDB00014 cotinine cmp.QI69 177.1024 4.89 HMDB01046 mevalonic acid cmp.TF12 149.0799 3.64 HMDB00227 pipecolic acid cmp.QI120 130.0863 7.86 HMDB00716 5-aminolevulinic acid cmp.QI13 132.0656 7.34 HMDB01149 pyroglutamic acid cmp.TF14 130.0491 7.95 HMDB00267 1-methylnicotinamide cmp.QI5 137.0709 8.08 HMDB00699 methionine sulfoxide cmp.TF11 166.0522 8.56 HMDB02005 sarcosine cmp.TF15 90.0549 8.01 HMDB00271 beta-alanine cmp.TF3 90.0549 7.88 HMDB00056 anserine cmp.QI26 241.1295 10.43 HMDB00194 carnitine cmp.QI60 162.1125 8.67 HMDB00062 C2 carnitine cmp.QI47 204.1232 8.51 HMDB00201 C3 carnitine cmp.QI51 218.1387 7.74 HMDB00824 C3-DC-CH3 carnitine cmp.QI52 262.1286 8.43 HMDB13133 C4 carnitine cmp.QI53 232.1544 7.85 HMDB02013 C4-OH carnitine cmp.QI54 248.1494 8.71 HMDB13127 C5 carnitine cmp.QI55 246.1701 7.64 HMDB00688 C5:1 carnitine cmp.QI56 244.1544 8.12 HMDB02366 C5-DC carnitine cmp.QI57 276.1442 7.91 HMDB13130 C6 carnitine cmp.TF7 260.1837 7.75 HMDB00705 C9 carnitine cmp.QI58 302.2326 7.05 HMDB13288 C10:2 carnitine cmp.QI35 312.2168 7.26 HMDB13325 C14 carnitine cmp.QI36 372.3109 6.64 HMDB05066 C16 carnitine cmp.QI37 400.3422 6.52 HMDB00222 C18 carnitine cmp.QI40 428.3735 6.42 HMDB00848 C18:1 carnitine cmp.QI43 426.3577 6.44 HMDB05065 C18:1-OH carnitine cmp.TF5 442.3496 6.91 HMDB13339 C18:2 carnitine cmp.QI45 424.3420 6.49 HMDB06469 C20 carnitine cmp.QI48 456.4046 6.32 HMDB06460 C20:4 carnitine cmp.QI49 448.3421 6.06 n/a C26 carnitine cmp.TF6 540.4950 6.12 HMDB06347 3-methoxytyramine cmp.QI10 168.1020 6.23 HMDB00022 atenolol cmp.QI31 267.1703 6.77 HMDB01924 DOPA cmp.QI76 198.0761 6.98 HMDB00181 homoserine cmp.QI89 120.0655 7.53 HMDB00719 metanephrine cmp.QI97 198.1125 6.58 HMDB04063 tyramine cmp.QI140 138.0913 6.15 HMDB00306 methylthioadenosine cmp.QI99 298.0967 4.09 HMDB01173 s-adenosylmethionine cmp.QI129 399.1446 10.13 HMDB01185 1-methyladenosine cmp.QI2 282.1196 7.55 HMDB03331 bilirubin cmp.QI34 585.2708 1.58 HMDB00054 C18:0 LPC cmp.QI41 524.3712 7.52 HMDB10384 C16:0 SM cmp.QI39 703.5747 7.09 HMDB10169 cortisone cmp.QI68 361.2010 1.74 HMDB02802 ectoine cmp.QI77 143.0815 8.82 n/a hypoxanthine cmp.QI91 137.0457 4.69 HMDB00157 1-methylguanosine/2-O-methylguanosine cmp.QI3 298.1147 4.93 HMDB01563* 1,2,4-trimethylbenzene cmp.QI1 121.1011 1.88 HMDB13733 2'-O-methyladenosine/3'-O-methyladenosine cmp.QI7 282.1194 4.82 HMDB04326* 3-dehydroxycarnitine cmp.QI8 146.1175 8.62 HMDB06831 3-methylhistidine cmp.QI11 170.0924 9.79 HMDB00479 4-guanidinobutanoic acid cmp.QI12 146.0924 7.11 HMDB03464 5-methylcytidine cmp.QI16 258.1084 5.71 HMDB00982 5-methylcytosine cmp.QI17 126.0662 6.15 HMDB02894 6,8-dihydroxypurine cmp.QI18 153.0407 4.17 HMDB01182 DMGV cmp.TF8 202.1197 7.84 n/a N-a-acetyarginine cmp.QI104 217.1295 8.04 HMDB04620 N-acetylglutamine cmp.QI105 189.0870 6.89 HMDB06029 N-acetylleucine cmp.QI106 174.1125 2.63 HMDB11756 N-acetylornithine cmp.QI107 175.1077 8.35 HMDB03357 N-acetylputrescine cmp.QI108 131.1179 7.80 HMDB02064 N-acetyltryptophan cmp.QI109 247.1078 2.75 HMDB13713 N-acetyphenylalanine cmp.QI110 208.0969 3.07 HMDB00512 N1-acetylspermidine cmp.QI101 188.1758 9.71 HMDB01276 N1-acetylspermine cmp.QI102 245.2336 10.86 HMDB01186 N6-acetyllysine cmp.QI103 189.1233 8.25 HMDB00206 acetaminophen cmp.QI19 152.0706 1.89 HMDB01859 adrenochrome cmp.QI22 180.0655 4.38 HMDB12884 alanyalanine cmp.QI24 161.0920 7.78 HMDB03459 beta-guanidinopropionic acid cmp.QI33 132.0767 7.34 HMDB13222 cadaverine cmp.QI59 103.1229 9.21 HMDB02322 cellobiose cmp.QI62 343.1237 6.03 HMDB00055 cerulenin cmp.QI63 224.1281 1.75 HMDB15168 cortexolone/2,1-deoxycortisol cmp.QI66 347.2217 1.71 HMDB00015* cortisol cmp.QI67 363.2166 1.70 HMDB00063 cyclohexylamine cmp.QI72 100.1120 6.27 HMDB31404 cytidine cmp.QI73 244.0928 5.72 HMDB00089 guanidoacetic acid cmp.QI83 118.0611 7.74 HMDB00128 guanine cmp.QI84 152.0567 5.26 HMDB00132 guanosine cmp.QI85 284.0989 5.14 HMDB00133 histidinol cmp.QI88 142.0975 8.95 HMDB03431 imidazoleacetic acid cmp.QI92 127.0502 7.99 HMDB02024 m-coumaric acid cmp.QI96 165.0547 1.75 HMDB01713 nicotinate cmp.QI113 124.0393 3.55 HMDB01488 nor-psi-tropine cmp.QI115 128.1070 7.63 HMDB31667 phytosphingosine cmp.QI119 318.3003 5.74 HMDB04610 proline betaine cmp.QI122 144.1018 9.10 HMDB04827 pseudouridine cmp.QI123 245.0769 4.04 HMDB00767 pterin cmp.QI124 164.0567 4.58 HMDB00802 putrescine cmp.QI125 89.1074 9.26 HMDB01414 pyridoxamine cmp.QI126 169.0971 8.98 HMDB01431 quercetin cmp.QI127 303.0499 1.73 HMDB05794 sphinganine cmp.QI133 302.3053 5.64 HMDB00269 urocanic acid cmp.QI143 139.0502 4.34 HMDB00301 xanthine cmp.QI145 153.0407 3.66 HMDB00292 METABOLITES_END #END