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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME3246785312435-5555267.23295
10-hydroxywarfarin-ME324679--3910323.09249
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME3246805312513-5780295.26425
10-undecenoate (11:1n1)10-Hendecenoic acidME32468114891C139105085.8183.13905
11beta-hydroxyandrosterone glucuronide-ME324682--4209481.2443
12,13-DiHOME12,13-DiHOMEME32468310236635C148295137313.23843
1,2,3-benzenetriol sulfate (1)-ME324651--1453204.98123
1,2,3-benzenetriol sulfate (2)-ME324652--1709204.98123
(12 or 13)-methylmyristate (a15:0 or i15:0)Isopentadecylic acidME324642151014-5499241.2173
1,3,7-trimethylurate1,3,7-Trimethyluric acidME32465379437C163611985209.06801
1,3-dimethylurate1,3-Dimethyluric acidME32465470346-1671.4195.05236
13-HODE + 9-HODEHODEME32468443013-5275295.22825
14-HDoHE/17-HDoHE-ME324685--5296343.22786
(14 or 15)-methylpalmitate (a17:0 or i17:0)Formyl hexadecanoateME32464317903417-5695269.24868
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME32465564960C07326802163.06119
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME324687--4240383.15338
1,6-anhydroglucoseGlucosanME3246562724705-1175.5207.05102
16-hydroxypalmitateJuniperic acidME32468610466C182185236.2271.22786
(16 or 17)-methylstearate (a19:0 or i19:0)Xi-17-Methyloctadecanoic acidME3246443083779-5993297.2799
17alpha-hydroxypregnenolone 3-sulfate17-Hydroxypregnenolone sulfateME324688152971-4800411.18468
1,7-dimethylurate1,7-Dimethyluric acidME32465791611C163561578.6195.05236
1-carboxyethylleucine1-CarboxyethylleucineME324658--2663202.10848
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME324659--2844236.09283
1-carboxyethylvaline1-CarboxyethylvalineME324660--2008188.09283
1-hydroxy-2-naphthalenecarboxylate1-Hydroxy-2-naphthoateME3246616844C032033930187.04006
1-linoleoyl-GPA (18:2)*LPA 18:2ME324662--5483433.23606
1-linoleoyl-GPG (18:2)*LPG 18:2ME324663--5516507.27284
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME32466475810C058282064141.06586
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME3246656451814-1989141.06586
1-methylhistidine1-MethylhistidineME32466692105C011521227168.07785
1-methylnicotinamide1-Methyl nicotinamideME324667457C029181940137.07094
1-methylurate1-Methyluric acidME32466869726C163591099181.03671
1-methylxanthine1-MethylxanthineME32466980220C163581568.8165.0418
1-oleoyl-GPS (18:1)LPS 18:1ME3246709547099-5607522.28374
1-palmitoyl-GPG (16:0)*LPG 16:0ME3246713300276-5570483.27284
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME3246725117448C051312006259.09247
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0_20:4ME324673--2565812.54361
1-stearoyl-2-oleoyl-GPG (18:0/18:1)PG 18:0_18:1ME324674--717775.54946
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME3246759547087-3000790.55926
1-stearoyl-GPG (18:0)LPG 18:0ME324676--5816511.30414
1-stearoyl-GPS (18:0)*LPS 18:0ME3246779547101-5800524.29939
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME324734134595-3935245.06711
2,2'-Methylenebis(6-tert-butyl-p-cresol)-ME3246918398-703339.23295
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME324692301941-787133.05063
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME324693--1156177.0227
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME324694677C040391050133.05063
2,3-diphosphoglycerate2,3-Diphosphoglyceric acidME324695186004C01159555264.952
(2,4 or 2,5)-dimethylphenol sulfate-ME324646--3474201.0227
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME3246969338-2575153.01933
2-acetamidophenol sulfate2-Acetamidophenol sulfateME324697181671-2251230.01286
2-aminoadipatealpha-Aminoadipic acidME324698469C009563500160.06153
2-aminobutyrate2-Aminobutyric acidME324699439691C022612059104.07061
2-aminoheptanoate2-Aminoheptanoic acidME324700227939-3160146.11756
2-aminooctanoate2-Aminooctanoic acidME32470169522-750160.13321
2-aminophenol sulfate2-Aminophenyl sulfateME324702181670-1677188.0023
2'-deoxyuridineDeoxyuridineME32468913712C005261586111.01997
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME324703164623-1800131.07136
2-hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME324704--1065149.02778
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME32470586290013-1674246.00778
2-hydroxyarachidate*2-Hydroxyeicosanoic acidME3247065225199-5990327.29047
2-hydroxybutyrate/2-hydroxyisobutyrate-ME324707--1258103.04006
2-hydroxydecanoate2-Hydroxy capric acidME32470821488-4840187.13396
2-hydroxyglutarate2-Hydroxyglutaric acidME32470943C026303352.8147.02989
2-hydroxyhippurate (salicylurate)Salicyluric acidME32471010253C075882184194.04588
2-hydroxyibuprofen2-HydroxyibuprofenME32471110443535-807205.12231
2-hydroxylaurate2-Hydroxylauric acidME32471297783-5211215.16526
2-hydroxymyristate2-Hydroxymyristic acidME3247131563C137905364243.19656
2-hydroxynervonate*Hydroxynervonic acidME3247145312783-6345381.33742
2-hydroxyoctanoate2-Hydroxyoctanoic acidME32471594180-3736.8159.10266
2-hydroxypalmitate2-Hydroxy palmitic acidME32471692836-5511.2271.22786
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME32471711970C05852858.6151.04006
2-hydroxyphytanate*2-Hydroxyphytanic acidME324718189026-5751327.29047
2-hydroxysebacate2-Hydroxy-decanedioic acidME324719128458-1324217.10814
2-hydroxystearate2-Hydroxystearic acidME32472069417C030455695299.25917
2-isopropylmalate2-Isopropylmalic acidME32472177C025042605175.06119
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME324722161227C002041900177.04046
2-ketocaprylate2-Keto-octanoic acidME32472367600-3951157.08701
2-methoxyacetaminophen glucuronide*-ME32472414367271-1633356.0987
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME32472586290014-1949260.02343
2-methoxyresorcinol sulfate-ME324726--1863218.99688
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME3247276426901-3050246.16999
2-methylbutyrylglycine2-MethylbutyrylglycineME324728193872-2000160.09682
2-methylserine2-MethylserineME32472994309C021151652120.06552
2-naphthol sulfate2-Naphthyl sulfateME32473074428-3658223.00705
2'-O-methylcytidine2'-O-MethylcytidineME324690150971-2411258.10845
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME324645--4990169.1234
2-oxoarginine*2-OxoarginineME324731558C037711760174.08732
2-piperidinone2-PiperidinoneME32473212665-1675100.07569
2-pyrrolidinone2-PyrrolidinoneME32473312025-126286.06004
2R,3R-dihydroxybutyrate4-Deoxy-erythronic acidME32473513120901-1543119.03498
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME32473610964471-1660119.03498
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME324741171198-1369344.10993
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME32474291C114571980165.05571
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME324737--2204119.03498
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME3247439378C036721379181.05063
3,4-methyleneheptanoate-ME324738--3807141.0921
3,5-dichloro-2,6-dihydroxybenzoic acid3,5-Dichloro-2,6-dihydroxybenzoic acidME324739--693220.94138
3,7-dimethylurate3,7-Dimethyluric acidME32474083126C163601418195.05236
3-amino-2-piperidone3-Amino-2-piperidoneME3247465200225-2065115.08659
3-aminoisobutyrate3-Aminoisobutanoic acidME32474764956C051452190104.07061
3beta,7alpha-dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME3247953081084C173355275431.31668
3beta-hydroxy-5-cholestenoateCholestenoic acidME324796165511C173335398415.32177
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME32479492997-5205373.27482
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*3-Bromo-5-chloro-2,6-dihydroxybenzoic acidME324748--4505264.89087
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME324749194501-4000267.12379
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME324750123979-2800239.09249
3-ethylcatechol sulfate (1)-ME324751--3422217.01761
3-formylindole1H-Indole-3-carboxaldehydeME32475210256C084932736146.06004
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME324753188979-975117.05571
3-hydroxy-2-methylpyridine sulfate-ME324754--1849188.0023
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME3247551662C037612850161.04555
3-hydroxyadipate*3-Hydroxy-adipic acidME324756151913-3131161.04554
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME324757441C010891480103.04007
3-hydroxybutyroylglycine**-ME324758--889160.06152
3-hydroxydecanoate3-Hydroxydecanoic acidME32475926612-4634.7187.13396
3-hydroxydecanoylcarnitineCAR 10:0;OHME324760--961332.24315
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME32476116663321-2252245.13944
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME324762151492-1725131.07136
3-hydroxyhexanoylcarnitine (1)CAR 6:0;OHME324763--2918276.18055
3-hydroxyhippurate3-Hydroxyhippuric acidME324764450268-1687194.04588
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME32476587C060011619103.04007
3-hydroxylaurate3-Hydroxydodecanoic acidME32476694216-5175215.16526
3-hydroxymyristate3-Hydroxytetradecanoic acidME32476716064-5335243.19656
3-hydroxyoctanoate3-Hydroxyoctanoic acidME32476826613-3446159.10266
3-hydroxyoleate*-ME324769--5508297.24351
3-hydroxyoleoylcarnitineCAR 18:1;OHME324770--1406442.3527
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME324771--1595.5173.98665
3-hydroxysebacate3-Hydroxysebacic acidME3247723017884-1282217.10814
3-hydroxystachydrine*3-HydroxystachydrineME324773442640-1049160.09682
3-hydroxystearate3-Hydroxy stearic acidME3247745282907-5674299.25917
3-indoxyl sulfateIndoxyl sulfateME32477510258-2222.2212.0023
3-methoxycatechol sulfate (1)-ME324776--2163218.99688
3-methoxycatechol sulfate (2)-ME324777--2200218.99688
3-methoxytyramine sulfate3-Methoxytyramine sulfateME324778--1722246.04416
3-methoxytyrosine3-MethoxytyrosineME3247791670-2555212.09174
3-methyl-2-oxobutyrateKetoisovaleric acidME32478149C001411465115.04006
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME32478247C006712064.2129.05572
3-methyladipate3-Methyladipic acidME32478312292-2865159.06628
3-methyl catechol sulfate (1)-ME324780--2790203.00196
3-methylcytidine3-MethylcytidineME324784159649-2176258.10845
3-methylglutaconate3E-Methylglutaconic acidME3247851551553-270099.04518
3-methylglutarate/2-methylglutarateMethylglutaric acidME324786--2832145.05063
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME324787128145-2687290.15982
3-methylhistidine3-MethylhistidineME32478864969C01152906.3168.07785
3-(methylthio)acetaminophen sulfate*-ME324744--2265276.00059
3-methylxanthine3-MethylxanthineME32478970639C163571700165.0418
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME32474583967-2094311.07072
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME324790107C056292860149.0608
3-phosphoglycerate3-Phosphoglyceric acidME324791724C00597590187.00022
3-sulfo-L-alanineCysteic acidME32479272886C005062890167.99722
3-ureidopropionateUreidopropionic acidME324793111C026422230131.04621
4-acetamidobenzoate4-Acetamidobenzoic acidME32479719266D038361403178.05096
4-acetamidobutanoate4-Acetamidobutanoic acidME32479818189C029461350146.08117
4-acetamidophenolAcetaminophenME3247991983C068042173.7150.05605
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME32480083944-1400326.08814
4-acetaminophen sulfateParacetamol sulfateME32480183939C068041792230.01287
4-acetylcatechol sulfate (1)-ME324802--1774230.99688
4-acetylphenol sulfate4-Acetylphenyl sulfateME3248034684006-2375215.00196
4-allylcatechol sulfate-ME324804--3571229.01761
4-allylphenol sulfate4-Allylphenol sulfateME324805--3805213.0227
4-cholesten-3-oneCholestenoneME32480691477C005992520385.3465
4-ethylcatechol sulfate-ME324807--3379217.01761
4-ethylphenylsulfate4-EthylphenolME32480820822574C136373580201.0227
4-guanidinobutanoate4-Guanidinobutanoic acidME324809500C010352320146.09241
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME324811599C011273073161.00916
4-hydroxychlorothalonil4-HydroxychlorothalonilME32481234217-4427244.90817
4-hydroxycoumarin4-HydroxycoumarinME32481354682930C204142470161.02441
4-hydroxy duloxetine glucuronide*-ME324810--3705488.13846
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME324814439902C030791141164.05535
4-hydroxyhippurate4-Hydroxyhippuric acidME324815151012-1475194.04588
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME324816127C006421361151.04007
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME324817--1650279.09864
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME324818979C011791690179.03498
4-methoxyphenol sulfate4-Methoxyphenol sulfateME324819--2412203.00196
4-methyl-2-oxopentanoateKetoleucineME32482070C002332170129.05571
4-methylcatechol sulfate-ME324821--2665203.00196
4-methylguaiacol sulfate-ME324822--2978217.01761
4-methylnonanoylcarnitine-ME324823--1055316.24824
4-vinylphenol sulfate4-HydroxystyreneME3248246426766C056273320199.00705
5,6-dihydrothymineDihydrothymineME32482593556C009061637.8127.0513
5,6-dihydrouridine5,6-DihydrouridineME32482694312-1119245.07791
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME32482888299C163661710197.06801
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME324829108214C163651424225.06292
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME324839--5208371.18976
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME324840--4275225.06965
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME324841--4925371.18976
5alpha-androstan-3alpha,17beta-diol monosulfate (2...-ME324842--5080371.18976
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME324843--4215225.06965
5alpha-androstan-3beta,17beta-diol disulfate5alpha-Androstane-3beta,17beta-diolME324844242332C125253880225.06965
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME324845--4685371.18976
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME324846--3962239.0853
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME324847--5060399.22106
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME324848--5180399.22106
5alpha-pregnan-diol disulfate-ME3248495127902-4310239.0853
5-dodecenoate (12:1n7)5-Dodecenoic acidME3248305312378-5224197.1547
5-dodecenoylcarnitine (C12:1)CAR 12:1ME324831--1135342.26389
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME324827123986-2755325.16055
5-hydroxy-2-methylpyridine sulfate-ME324832--2074188.0023
5-hydroxy-6-methoxy duloxetine sulfate*-ME324833--3807422.07375
5-hydroxyhexanoate5-Hydroxycaproic acidME324834170748-1267131.07136
5-hydroxylysine5-HydroxylysineME3248351029C167412790163.10772
5-methylthioadenosine (MTA)5'-MethylthioadenosineME324836439176C001702752298.09684
5-methyluridine (ribothymidine)RibothymidineME324837445408-1778.1257.07791
5-oxoprolinePyroglutamic acidME3248387405C01879738.5128.03531
6-bromotryptophan6-BromotryptophanME324850--3565280.99311
6-hydroxyindole sulfate6-Hydroxyindole sulfateME324851122198196-2498212.0023
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME3248523014237-965142.05096
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME3248533081085C173375288.1429.30103
7-methylguanine7-MethylguanineME32485411361C022422175166.07234
7-methylurate7-Methyluric acidME32485569160C163551321183.05127
7-methylxanthine7-MethylxanthineME32485668374C163531350167.05636
8-methoxykynurenate-ME32485776230C058302863218.04588
9,10-DiHOME9,10-DiHOMEME3248589966640C148285180313.23843
9-hydroxystearateDL-9-Hydroxy stearic acidME3248599570127-5384299.25917
acesulfameAcesulfameME32486036573-1581161.98665
acetoacetateAcetoacetic acidME32486196C001641062103.03898
acetylcarnitine (C2)CAR 2:0ME3248621C025712282204.12304
acisogaAcisogaME324863129397-2297183.1139
aconitate [cis or trans]cis-Aconitic acidME324864--580173.00916
adenineAdenineME324865190C001472221136.06178
adenosine 5'-diphosphate (ADP)ADPME3248666022C00008607428.0367
adenosine 5'-diphosphoribose (ADP-ribose)ADP-riboseME324867192C00301920558.06439
adenosine 5'-monophosphate (AMP)AMPME3248686083C000201013348.07037
adipoylcarnitine (C6-DC)CAR DC5:0ME32486971296139-2570290.15982
adrenate (22:4n6)Adrenic acidME3248705497181C165275678331.26425
alanineAlanineME3248715950C00041170090.05496
allantoinAllantoinME324872204C023501672157.03671
alliinAlliinME32487387310C082651470178.05324
allopurinolAllopurinolME3248752094-1530135.03123
allopurinol ribosideAllopurinol ribosideME324876--1286269.08805
allo-threonineAllothreonineME32487499289C055192511.1118.05096
alpha-CEHC sulfate-ME324877--3090357.10134
alpha-hydroxycaproate2-Hydroxyhexanoic acidME32487899824-1920131.07136
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME32487983697C032641840131.07136
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME32488099823-1126117.05571
alpha-ketobutyrate3-Methyl pyruvic acidME32488158C00109940101.02442
alpha-ketoglutaramate*2-Keto-glutaramic acidME32488248-1916144.03023
alpha-ketoglutarateOxoglutaric acidME32488351C000262700145.01425
alpha-tocopherolalpha-TocopherolME32488414985C024772522430.37818
androstenediol (3alpha, 17alpha) monosulfate (2)AndrostenediolME324886--4712369.17411
androstenediol (3alpha, 17alpha) monosulfate (3)AndrostenediolME324887--5180369.17411
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME32488887120982C042953740224.06182
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME32488987120982C042954065224.0624
androstenediol (3beta,17beta) monosulfate (1)AndrostenediolME32489013847309-4535369.17411
androstenediol (3beta,17beta) monosulfate (2)AndrostenediolME324891--4500369.17411
andro steroid monosulfate C19H28O6S (1)*Dehydroepiandrosterone sulfateME324885-C045553871383.1534
androsterone glucuronideAndrosterone 3-glucuronideME324892114833C111354953465.24939
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME324893159663-5022369.17411
arabinoseArabinoseME32489466308C002161804.5195.05103
arabitol/xylitolArabitolME3248956912C019041932.4151.0612
arabonate/xylonateXylonic acidME324896--2700165.04046
arachidate (20:0)Arachidic acidME32489710467C064256240311.29555
arachidonate (20:4n6)Arachidonic acidME324898444899C002195535303.23295
arachidonoylcarnitine (C20:4)CAR 20:4ME324899--1353448.34215
arachidonoylcholineArachidonoylcholineME324900--1390390.33666
arachidoylcarnitine (C20)*CAR 20:0ME324901--1512456.40474
argininate*Argininic acidME324902160437-2150176.10297
arginineArginineME324903232C000622825175.11896
ascorbate (Vitamin C)Vitamin CME32490454670067C00072770177.03937
ascorbic acid 2-sulfate-ME32490586484-3042254.98162
ascorbic acid 3-sulfate*-ME32490611425365-2025254.98146
asparagineAsparagineME3249076267C001521225133.06077
aspartateAspartic acidME3249085960C000491165134.04479
atenololAtenololME3249092249D002352668267.17032
azelate (C9-DC)Azelaic acidME3249102266C082612520187.09758
behenoylcarnitine (C22)*CAR 22:0ME324911--1561484.43604
benzoateBenzoic acidME324912243C001801750121.0295
beta-alaninebeta-AlanineME324913239C00099190590.05496
beta-citrylglutamateBeta-Citryl-glutamic acidME32491472715786C20775530320.06232
beta-cryptoxanthinCryptoxanthinME3249156384256-2560552.43257
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME32491669362-1027117.05572
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME324917--2584262.1649
betaineBetaineME324919247C007191064118.08626
beta-sitosterolSitosterolME324918222284C017533054397.38289
betonicineBetonicineME324920164642C082691012160.09682
bilirubin (E,E)*BilirubinME3249215315454-1045585.27076
bilirubin (E,Z or Z,E)*BilirubinME3249225799469-1265585.27076
bilirubin (Z,Z)BilirubinME3249235280352C004861840585.27076
biliverdinBiliverdinME3249245353439C005001016583.25512
branched chain 14:0 dicarboxylic acid**-ME324925--3849257.17583
branched-chain, straight-chain, or cyclopropyl 10:...Decenoic acidME324926--4805169.1234
branched-chain, straight-chain, or cyclopropyl 10:...-ME324927--4853169.1234
branched-chain, straight-chain, or cyclopropyl 10:...-ME324928--4931169.1234
branched-chain, straight-chain, or cyclopropyl 12:...-ME324929--5261197.15457
butyrate (4:0)Butyric acidME324930264C00246106287.04515
butyrylcarnitine (C4)CAR 4:0ME324931439829C028622860232.15434
butyrylglycineN-ButyrylglycineME32493288412-1470144.06661
caffeic acid sulfate-ME324934--1307258.99179
caffeineCaffeineME3249352519C074812106195.08766
caprate (10:0)Capric acidME3249362969C015715090.7171.13905
caproate (6:0)Caproic acidME3249378892C015852713.7115.07645
caprylate (8:0)Caprylic acidME324938379C064234362143.10775
carboxyethyl-GABAN-Carboxyethyl-g-aminobutyric acidME3249392572-2085176.09174
carboxyibuprofenCarboxyibuprofenME32494010444113-1920235.09758
carnitineCarnitineME32494110917C003181978162.11247
carnitine of C10H14O2 (5)*-ME324942--4521370.18711
carotene diol (1)Carotene diolME324943--1720568.42759
carotene diol (2)Carotene diolME324944--1904568.42793
carotene diol (3)Carotene diolME324945--1948568.42786
catechol sulfateCatechol sulfateME3249463083879-1906188.98631
celecoxibCelecoxibME3249472662C075895283380.0686
cerotoylcarnitine (C26)*CAR 26:0ME324948--1649540.49864
cetirizineCetirizineME3249492678C077781052389.16265
C-glycosyltryptophanC-GlycosyltryptophanME32493310981970-1777365.13542
chenodeoxycholateChenodeoxycholic acidME32495010133C025285264391.28538
chiro-inositol1D-chiro-InositolME324951-C198913191.2225.06159
chlorthalidoneChlorthalidoneME3249522732D002723600337.00553
cholateCholic acidME324953221493C006955165407.28029
cholesterolCholesterolME32495411025495C001872707369.35159
cholineCholineME324955305C001141961104.10699
choline phosphateCholine phosphateME3249561014C00588700184.07332
cimetidineCimetidineME324957--2715253.123
cinnamoylglycineCinnamoylglycineME324958709625-3127204.06661
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME3249595312351-4890169.1234
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME324960--1057314.23259
citalopram N-oxide*-ME32496110068142C16607905341.16599
citalopram propionate*-ME32496210403174C166104400310.08849
citraconate/glutaconate-ME324963--2600129.0194
citrateCitric acidME324964311C00158582191.01973
citrullineCitrullineME3249659750C003271520176.10297
cortisolCortisolME3249665754C007354710361.20204
cortisoneCortisoneME324967222786C007624575359.18639
cortolone glucuronide (1)-ME324968--4600541.26543
cotinineCotinineME324969854019-2213177.10224
creatineCreatineME324970586C003001947132.07676
creatinineCreatinineME324971588C007912055114.06619
cys-gly, oxidizedCYS-GLY, oxidizedME324972333293-2947355.07406
cystathionineCystathionineME324973439258C022912270223.07471
cysteineCysteineME3249745862C000971475122.02703
cysteine-glutathione disulfideCysteine-glutathione disulfideME3249764247235-2465427.09519
cysteine s-sulfateCysteine-S-sulfateME324975115015C058242273199.96928
cysteinylglycineCys-GlyME324977439498C014192132179.0485
cysteinylglycine disulfide*Cysteinylglycine disulfideME324978--2547298.05259
cystineCystineME32497967678C004912000241.03113
cytidineCytidineME3249806175C004751325242.07824
decadienedioic acid (C10:2-DC)**-ME324981--2329.7197.08185
decanoylcarnitine (C10)CAR 10:0ME32498210245190-1130316.24824
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME32498312594C045554745367.15846
delta-CEHC-ME32498411536125-3422249.11323
deoxycarnitine3-DehydroxycarnitineME324985134C011812052146.11756
deoxycholateDeoxycholic acidME324986222528C044835294391.28538
deoxycholic acid (12 or 24)-sulfate*Deoxycholic acidME324987--4580235.11746
deoxycholic acid glucuronide-ME324988--4800567.31747
desmethylcitalopram*N-DesmethylcitalopramME324989162180C16608880311.15542
desmethylnaproxenO-DesmethylnaproxenME32499013393711-3045215.07136
desmethylnaproxen sulfate-ME324991184679-2250295.02818
didesmethylcitalopram*-ME324992--876297.13977
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME3249936439848C165255730307.26425
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME3249945280581C032425596305.2486
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME324996--1392450.35777
dihomo-linolenoyl-choline-ME324995--1424392.35231
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME324997--1436452.37343
dihydrocaffeate sulfate (2)Dihydrocaffeic acid 3-sulfateME32499849844181-1328261.00744
dihydroorotate4,5-Dihydroorotic acidME324999648C003371910157.02548
diltiazemDiltiazemME32500039186C06958888415.16861
dimethylarginine (SDMA + ADMA)DimethylarginineME325002123831C036262850203.15026
dimethylglycineDimethylglycineME325003673C010261104104.07061
dimethyl sulfoneDimethyl sulfoneME3250016213C1114283295.01613
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME3250045282807C165336034335.29555
docosadioate (C22-DC)Docosanedioic acidME325005244872C196255291.8369.30103
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME325006445580C064295525327.23295
docosahexaenoylcarnitine (C22:6)*CAR 22:6ME325007--1349472.34215
docosahexaenoylcholine-ME325008--1378414.33666
docosapentaenoate (n3 DPA; 22:5n3)DPAME3250096441454C165135571329.2486
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME3250106441454C165135624.5329.2486
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME3250115312556C165345823333.2799
dodecadienoate (12:2)*Dodecadienoic acidME325012--5146195.13905
dodecanedioate (C12-DC)Dodecanedioic acidME32501312736C026782990229.14453
dodecenedioate (C12:1-DC)*-ME325014--2700227.12887
dopamine 3-O-sulfateDopamine 3-O-sulfateME325015122136C136901556.2232.02845
ectoineEctoineME325016126041C062311980143.08151
EDTAEdetic acidME3250176049C00284643291.08339
eicosanedioate (C20-DC)Eicosanedioic acidME32501875502-5200.9341.26973
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME325019446284C064285450301.2173
eicosenedioate (C20:1-DC)*-ME325020--5095339.25407
eicosenoate (20:1)cis-Gondoic acidME3250215282768C165265950309.2799
eicosenoylcarnitine (C20:1)*CAR 20:1ME325022--1484454.38909
epiandrosterone sulfateEpiandrosteroneME3250239929317-4855369.17411
ergothioneineErgothioneineME3250243032311C05570850230.09578
erucate (22:1n9)cis-Erucic acidME3250255281116C083166355.6337.3112
erythritolErythritolME325026222285C005031491167.05611
erythronate*Erythronic acidME3250272781043-2186135.02989
escitalopramEscitalopramME325028146570D07913908325.17107
ethyl alpha-glucopyranoside-ME325029428040-1576207.08741
ethylmalonateEthylmalonic acidME32503011756-2785131.03498
ethylparaben sulfate-ME325031--3445245.01253
etiocholanolone glucuronideAndrosterone 3-glucuronideME325032270605-4915465.24939
eugenol sulfateEugenol sulfateME325033180632-3782243.03326
febuxostat-ME325034134018D012064748315.08088
fexofenadineFexofenadineME3250353348C06999944502.29519
Fibrinopeptide A*-ME32503916133137-2474766.83533
Fibrinopeptide A (2-15)**-ME325036--2120653.26621
Fibrinopeptide A (3-16)**-ME325037--2786673.8033
Fibrinopeptide A (5-16)*-ME325038--2850601.77795
Fibrinopeptide A, des-ala(1)*-ME325040--2535731.31677
Fibrinopeptide A, phosphono-ser(3)*-ME325041--2016806.81849
Fibrinopeptide B (1-11)**-ME325042--2389411.48897
Fibrinopeptide B (1-12)**-ME325043--2366661.25311
Fibrinopeptide B (1-13)**-ME325044--2482696.77166
flavin adenine dinucleotide (FAD)FADME325045643975C000162425784.14985
fluoxetineFluoxetineME3250463386D003261025310.14133
formiminoglutamateFormiminoglutamic acidME325047439233C004391880175.07134
fructoseFructoseME3250485984C000952065225.06159
fructosyllysineFructosyllysineME325049123708-2784309.16563
fumarateFumaric acidME325050444972C001223084115.00368
gabapentinGabapentinME3250513446D003322407.4170.11865
galactonateGalactonic acidME325052128869C008803085195.05102
gamma-carboxyglutamategamma-Carboxy-glutamic acidME32505340772-903192.05027
gamma-CEHCgamma-CEHCME325054133098-3843263.12888
gamma-CEHC glucuronide*-ME325055--2500439.16097
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME325056--2380233.1132
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME32505765254-2784276.1554
gamma-glutamylcitrulline*-ME325059--1644305.14556
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME3250587015685-2725276.1554
gamma-glutamylglutamategamma-Glutamylglutamic acidME32506092865C052821775277.10303
gamma-glutamylglutaminegamma-GlutamylglutamineME325061150914C052831430276.11902
gamma-glutamylglycinegamma-GlutamylglycineME325062165527-1535205.0819
gamma-glutamylhistidinegamma-GlutamylhistidineME3250637017195-2740285.11935
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME32506414253342-2940261.1445
gamma-glutamylleucinegamma-GlutamylleucineME325065151023-2991261.1445
gamma-glutamylmethioninegamma-GlutamylmethionineME3250667009567-2640279.10092
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME325067111299-2992295.12885
gamma-glutamylthreoninegamma-GlutamylthreonineME32506876078708-1750249.10812
gamma-glutamyltryptophangamma-GlutamyltryptophanME3250693989307-1960332.12519
gamma-glutamyltyrosinegamma-GlutamyltyrosineME32507094340-1240309.10921
gamma-glutamylvalinegamma-GlutamylvalineME3250717015683-2700247.12885
gamma-tocopherol/beta-tocopherolbeta-tocopherolME325072--2384416.36427
genistein sulfate*-ME325073--3616349.00236
gentisateGentisic acidME3250743469C00628905153.01933
GlcNAc sulfate conjugate of C21H34O2 steroid**-ME325075--4336.7299.63862
gluconateGluconic acidME32507610690C002572922195.05102
glucoseGlucoseME3250775793C000312342225.06159
glucuronateGlucuronic acidME325078444791C001913233.3193.03537
glucuronide of C10H18O2 (7)*-ME325079--3790345.1555
glucuronide of C10H18O2 (8)*-ME325080--3865345.1555
glucuronide of piperine metabolite C17H21NO3 (4)*-ME325081--3992462.17696
glucuronide of piperine metabolite C17H21NO3 (5)*-ME325082--4039462.17696
glutamateGlutamic acidME325083611C000251500148.06044
glutamineGlutamineME3250845961C000641291147.07642
glutamine conjugate of C6H10O2 (1)*-ME325085--2404241.11938
glutamine conjugate of C6H10O2 (2)*-ME325086--2526241.11938
glutamine conjugate of C7H12O2*-ME325087--3053255.13502
glutarate (C5-DC)Glutaric acidME325088743C004892900131.03498
glutarylcarnitine (C5-DC)CAR DC5:0ME32508971464488-2393276.14417
glyburideGlyburideME3250903488D00336,C070221180494.1511
glycerateGlyceric acidME325091752C002582070.4105.01933
glycerolGlycerolME325092753C0011675891.04007
glycerol 3-phosphatesn-Glycero-3-phosphateME325093754C00093580173.02095
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME325094123874C01233659216.06315
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME325095439964C032742430245.04317
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME325096167572-3850333.05922
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME32509771920C00670672258.1101
glycineGlycineME325098750C00037137576.03931
glycine conjugate of C10H12O2*-ME325099--4005220.09791
glycine conjugate of C10H14O2 (1)*-ME325100--4335222.11356
glyco-beta-muricholate**Glyco-beta-muricholic acidME325101--4762464.30176
glycochenodeoxycholateGlycochenodeoxycholic acidME32510212544C054665236.1448.30684
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME325103--4820263.62819
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME325104--4806311.66583
glycocholateGlycocholic acidME32510510140C019215163464.30176
glycocholate glucuronide (1)-ME325106--4533640.33385
glycocholenate sulfate*Glycocholenate sulfateME325107--4750254.62291
glycodeoxycholateGlycodeoxycholic acidME3251083035026C054645281448.30684
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME325109--4875263.62819
glycohyocholateGlycohyocholic acidME325110--5020464.30176
glycolithocholateGlycolithocholic acidME325111115245C155575357.1432.31193
glycolithocholate sulfate*Sulfoglycolithocholic acidME32511272222C113015011255.63073
glycoursodeoxycholateGlycoursodeoxycholic acidME32511312310288-5033448.30684
glycoursodeoxycholic acid sulfate (1)-ME325114--4309263.62819
guaiacol sulfateGuaiacol sulfateME32511522473-2344203.00196
guanidinoacetateGuanidoacetic acidME325116763C005811937118.06111
guanidinosuccinateGuanidinosuccinic acidME32511797856C031393550174.05203
gulonate*Gulonic acidME325118152304C002572750195.05102
hemeAltretamineME32511926945C000321124616.1762
heptanoate (7:0)Heptylic acidME3251208094C177143670129.0921
heptenedioate (C7:1-DC)*-ME325121--2816157.05063
hexadecadienoate (16:2n6)Hexadecadienoic acidME325122--5398251.20165
hexadecanedioate (C16-DC)Hexadecanedioic acidME32512310459C196154615285.20713
hexadecasphingosine (d16:1)*C16 SphingosineME325124--1289272.25841
hexadecenedioate (C16:1-DC)*-ME325125--4380283.19148
hexanoylcarnitine (C6)CAR 6:0ME3251266426853-3358260.18564
hexanoylglutamineHexanoylglutamineME325127--2780243.13503
hippurateHippuric acidME325128464C015862106.9178.05096
histidineHistidineME3251296274C00135755.9154.0622
histidine betaine (hercynine)*HercynineME3251303083620-2094198.12371
homoarginineHomoarginineME3251319085C019242882189.13461
homocitrullineHomocitrullineME32513265072C024271908190.11862
homostachydrine*(S)-HomostachydrineME325133441447C082831750158.11756
hydantoin-5-propionateHydantoin-5-propionic acidME325134782C055652080171.04113
hydrochlorothiazideHydrochlorothiazideME3251353639C070412046295.95719
hydroquinone sulfateQuinol sulfateME325136161220C005301395188.98631
hydroxyasparagine**HydroxyasparagineME32513997663C031241149149.05568
hydroxybupropionHydroxybupropionME325140446-5084254.09533
hydroxy-CMPF*-ME325137--1516255.08741
hydroxy-N6,N6,N6-trimethyllysine*-ME325138--2759205.15468
hydroxypioglitazone (M-IV)-ME325141--665373.12166
hyocholateHyocholic acidME32514292805C176495046407.28029
hypotaurineHypotaurineME325143107812C00519724110.02703
hypoxanthineHypoxanthineME325144790C002621291.2135.03123
ibuprofenIbuprofenME3251453672D001264925205.1234
ibuprofen acyl glucuronide-ME325146163959-4976381.15549
imidazole lactateImidazolelactic acidME325147793C055682040157.06077
imidazole propionateImidazole propanoateME32514870630-2263141.06586
iminodiacetate (IDA)IminodiacetateME3251498897C19911830134.04479
indoleacetateIndoleacetic acidME325150802C009542200174.05605
indoleacetylglutamineIndoleacetyl glutamineME32515125200879-2535302.11463
indolelactateIndolelactic acidME32515292904C020432286204.06661
indolepropionate3-Indolepropionic acidME3251533744-3205190.08626
indolin-2-oneIndolin-2-oneME325154321710C123122575134.06004
inosineInosineME3251556021C002941602.1267.07349
inosine 5'-monophosphate (IMP)IMPME3251568582C00130650349.05438
isobutyrylcarnitine (C4)CAR 3:0;2MeME325157168379-2810232.15434
isobutyrylglycineIsobutyrylglycineME32515810855600-1420144.06661
isocitrateIsocitric acidME3251591198C00311773210.0608
isocitric lactoneIsocitric acid lactoneME32516098259-2970173.00916
isoleucineIsoleucineME3251616306C004072800132.10191
isoursodeoxycholateIsoursodeoxycholic acidME325162127601C176624809391.28538
isovalerate (i5:0)Isovaleric acidME32516310430C082621564101.0608
isovalerylcarnitine (C5)CAR 4:0;3MeME3251646426851-3085246.16999
isovalerylglycineIsovalerylglycineME325165546304-1950158.08226
ketopioglitazone-ME325166--4165369.09145
kynurenateKynurenic acidME3251673845C017172224188.03531
kynurenineKynurenineME325168161166C003282739209.09207
lactateLactic acidME325169612C00186681.689.02442
lamotrigineLamotrigineME3251703878D003543379256.01513
lanthionineLanthionineME32517198504-1730209.05906
laurate (12:0)Lauric acidME3251723893C026795300199.17035
laurylcarnitine (C12)CAR 12:0ME32517310427569-1235344.27954
leucineLeucineME325174--2864132.10191
leucylalanineLeu-AlaME325175259321-2801203.13902
leucylglycineLeu-GlyME32517679070-2778189.12337
leucylphenylalanine/isoleucylphenylalanine-ME325177--4073277.15576
levulinate (4-oxovalerate)Levulinic acidME32517811579-934.6115.04006
lignoceroylcarnitine (C24)*CAR 24:0ME325179--1603512.46733
linoleate (18:2n6)Linoleic acidME3251805280450C015955535279.23295
linolenate [alpha or gamma; (18:3n3 or 6)]gamma-Linolenic acidME3251815280934C064265450277.2173
linolenoylcarnitine (C18:3)*CAR 18:3ME325182--1310422.32649
linoleoylcarnitine (C18:2)*CAR 18:2ME3251846450015-1430424.34214
linoleoylcholine*alpha-LinoleoylcholineME325185--1388366.33666
linoleoyl ethanolamideLinoleoyl-EAME3251835283446-6150322.27515
lithocholate sulfate (1)Lithocholic acid sulfateME325186--4811227.12
lysineLysineME3251875962C000472850147.11281
malateD-Malic acidME325188525C00149615.6133.01425
maleateMaleic acidME325189444266C013842640115.00368
malonateMalonic acidME325190867C003833447103.00368
maltoseMaltoseME32519110991489C002083329.4387.11442
maltotetraoseMaltotetraoseME325192446495C02052910665.21458
maltotrioseMaltotrioseME325193439586C01835812503.16175
mannitol/sorbitolSorbitolME3251945780C007942320181.07176
mannonate*Mannonic acidME3251953246006-2736195.05102
mannoseMannoseME32519618950C001592200225.06159
maprotiline-ME3251974011C071071010278.19033
margarate (17:0)Margaric acidME32519810465-5731269.2486
margaroylcarnitine (C17)*CAR 17:0ME325199--1424414.35779
metabolonic lactone sulfate-ME325200--4802427.21598
metforminMetforminME3252014091C071512817130.10873
methionineMethionineME3252026137C000732526150.05833
methionine sulfoneMethionine sulfoneME32520369961-1250182.04816
methionine sulfoxideMethionine sulfoxideME325204158980C029891272166.05325
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME325207--2873230.99688
methyl glucopyranoside (alpha + beta)Methyl glucoseME325205--1070193.0718
methyl indole-3-acetateIndole-3-methyl acetateME32520674706-3380190.08626
methylmalonate (MMA)Methylmalonic acidME325208487C021703078.4117.01933
methylsuccinateMethylsuccinic acidME32520910349-2800131.03498
metoprololMetoprololME3252104171D023583312268.19072
metoprolol acid metabolite*-ME32521162936-2950268.15434
mycophenolic acid glucuronide-ME3252126442661-2627495.1508
myo-inositolMyo-inositolME325213892C001373506.3225.06159
myristate (14:0)Myristic acidME32521411005C064245440227.20165
myristoleate (14:1n5)Myristoleic acidME3252155281119C083225346.9225.186
myristoleoylcarnitine (C14:1)*CAR 14:1ME32521690659872-1316370.29471
myristoylcarnitine (C14)CAR 14:0ME3252176426854-1350372.31084
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME32526769698C058421668151.0513
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME325268440810C058431260153.06586
N1-methyladenosine1-MethyladenosineME32526927476C024942120282.11969
N1-methylinosine1-MethylinosineME32527065095-1430283.1037
(N(1) + N(8))-acetylspermidineAsparagineME324647--3080188.17574
N2-acetyllysineN(2)-AcetyllysineME32527592907C129893372.6187.10881
N2-acetyl,N6-methyllysineN2-Acetyl,N6-methyllysineME325274--2168203.13902
N2-acetyl,N6,N6-dimethyllysineN2-Acetyl,N6,N6-dimethyllysineME325273--2172217.15467
N-(2-furoyl)glycine2-FuroylglycineME32522121863-1525168.03023
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME32527192919-2210312.13025
N2,N5-diacetylornithineN2,N5-DiacetylornithineME32527265977-1367215.10373
N4-acetylcytidineN4-AcetylcytidineME325276107461-1580286.10337
N6-acetyllysineN6-AcetyllysineME32527992832C027271059187.10881
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME325280161466-2164411.12698
N6-methyllysineN(6)-MethyllysineME325281164795C027282831161.12846
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME325278193344C055452831175.14411
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME325277440120C037932825189.15976
N6-succinyladenosineSuccinyladenosineME325282165243-940382.10043
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME32522253859791-2100212.1028
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME32522395555-3943200.12921
N-acetylalanineN-AcetylalanineME32522688064C028471564.8130.05096
N-acetylalliinN-acetylalliinME325227--1348220.06381
N-acetylarginineN-AcetylarginineME32522867427C025622245217.12952
N-acetylasparagineN-AcetylasparagineME32522999715-2250173.05678
N-acetylaspartate (NAA)N-Acetylaspartic acidME32523065065C010423143174.04079
N-acetyl-beta-alanineN-Acetyl-beta-alanineME32522476406C01073773130.05096
N-acetylcarnosineN-AcetylcarnosineME3252319903482-1235267.10988
N-acetylcitrullineN-AcetylcitrullineME325232656979C15532940216.09898
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME32523324139-715222.0972
N-acetylglucosaminylasparagineAspartylglycosamineME325234123826C045401212336.14015
N-acetylglutamateN-Acetylglutamic acidME32523570914C006243106188.05644
N-acetylglutamineN-AcetylglutamineME325236182230C027162140187.07243
N-acetylglycineN-AcetylglycineME32523710972-826118.04987
N-acetylhistidineN-AcetylhistidineME32523875619C02997900196.07276
N-acetyl-isoputreanineN-AcetylisoputreanineME325225131802901-2305203.13902
N-acetylleucineN-AcetylleucineME32523970912C027102400172.09791
N-acetylmethionineN-AcetylmethionineME325240448580C027121787190.05434
N-acetylneuraminateN-Acetylneuraminic acidME325241439197C00270660310.11326
N-acetylphenylalanineN-AcetylphenylalanineME32524274839C035192597206.08226
N-acetylputrescineN-AcetylputrescineME325243122356C027142230131.11789
N-acetylserineN-AcetylserineME32524465249-2000146.04588
N-acetyltaurineN-AcetyltaurineME325245159864-800166.01795
N-acetyltheanine-ME325246--1496215.10373
N-acetylthreonineN-AcetylthreonineME325247152204-821.6160.06153
N-acetyltryptophanN-Acetyl-tryptophanME325248700653C031372630245.09316
N-acetyltyrosineN-AcetyltyrosineME32524968310-1680222.07718
N-acetylvalineN-AcetylvalineME32525066789-1704158.08226
naproxenNaproxenME325283156391C015174155229.08702
N-carbamoylaspartateN-Carbamoylaspartic acidME32525193072C004383800175.03604
N-delta-acetylornithineN(5)-Acetyl-ornithineME3252529920500-858173.09316
N-desmethyl tramadol-ME32525310354700-3360250.18016
nervonoylcarnitine (C24:1)*CAR 24:1ME325284--1602510.45168
N-formylanthranilic acidFormylanthranilic acidME325254101399C056532150164.03531
N-formylmethionineN-FormylmethionineME325255439750C031451543.8176.03869
nicotinamideNiacinamideME325285936C001531942123.05529
nisinate (24:6n3)THAME32528611792612-5657355.26425
N-methylhydroxyproline**N-Methyl-4-hydroxyprolineME325256--1145146.08118
N-methylpipecolateN-methyl pipecolic acidME32525711286529-1932144.10191
N-methylprolineN-Methyl-prolineME325258557-1335130.08626
N-methyltaurineN-MethyltaurineME3252597882-1650138.02303
N,N-dimethylalanineN,N-DimethylalanineME3252205488191-1370118.08626
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME325218--2186160.13321
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME325219--2470229.15467
N-oleoylserineN-OleoylserineME325260--5600368.28063
N-oleoyltaurineN-Oleoyl taurineME3252616437033-5610388.2527
nonadecanoate (19:0)Nonadecenoic acidME32528712591C165356068297.2799
nonanoylcarnitine (C9)CAR 9:0ME325288--1003302.23259
norfluoxetine-ME3252894541-1008296.12568
N-oxalyl glycine (NOG)-ME3252623080614-3292146.00949
N-palmitoylglycineN-Palmitoyl glycineME325263151008-5580312.25441
N-palmitoylserineN-Palmitoyl serineME3252646453686-5557342.26498
N-palmitoyltaurineN-Palmitoyl taurineME325265--5560362.23705
N-stearoyltaurineN-Stearoyl taurineME325266168274-5782390.26835
O-acetylhomoserineO-Acetyl-homoserineME325290439389C010771850160.06153
o-cresol sulfateo-Cresol sulfateME32529111615528-2796187.00705
octadecadienedioate (C18:2-DC)*-ME325295--4676309.20714
octadecanedioate (C18-DC)Octadecanedioic acidME32529670095-5043313.23843
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME325297--1227458.34762
octadecenedioate (C18:1-DC)*-ME325298--4875311.22279
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME325299--1180456.33197
octanoylcarnitine (C8)CAR 8:0ME325300123701C02838950288.21694
O-desmethyltramadol glucuronide-ME325292--2741426.21225
O-desmethylvenlafaxineDesvenlafaxineME325293125017D077933253264.19581
oleamideOleamideME3253015283387C196706581280.26458
oleate/vaccenate (18:1)Oleic acidME325302--5655281.2486
oleoylcarnitine (C18:1)CAR 18:1ME3253046441392-1423426.35779
oleoylcholineOleoylcholineME325305--1449368.35231
oleoyl ethanolamideOleoyl-EAME3253035283454-6450324.2908
omeprazoleOmeprazoleME3253064594C073244673344.10743
ornithineOrnithineME3253076262C000772800133.09716
orotateOrotic acidME325308967C002951638.1155.00983
orotidineOrotidineME32530992751-2250287.05209
O-sulfo-L-tyrosineSulfotyrosineME325294514186-990260.02343
oxalate (ethanedioate)Oxalic acidME325310971C0020960388.98803
oxypurinolOxypurinolME3253114644D023651656151.02615
palmitate (16:0)Palmitic acidME325314985C002495618255.23295
palmitoleate (16:1n7)Palmitoleic acidME325315445638C083625475253.2173
palmitoleoylcarnitine (C16:1)*CAR 16:1ME32531671464547-1357398.32649
palmitoloelycholine-ME325317--1385340.32101
palmitoylcarnitine (C16)CAR 16:0ME325320461C029901425400.34214
palmitoylcholineO-PalmitoylcholineME325321151731-1482342.33666
palmitoyl ethanolamidePalmitoyl-EAME3253184671C165126300298.27515
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...EPC 18:1;O2/16:0ME325319--2207661.5279
pantoate(R)-Pantoic acidME325322439251C005221143147.06628
pantoprazolePantoprazoleME3253234679C118064398382.06785
pantothenatePantothenic acidME3253246613C008641498.7218.10339
paraxanthineParaxanthineME3253254687C137472279179.05745
paroxetineParoxetineME32532643815D02362,C07415963330.15
p-cresol glucuronide*P-Cresol glucuronideME325312154035-2420283.08232
p-cresol sulfatep-Cresol sulfateME3253134615423-2890187.00705
pelargonate (9:0)Pelargonic acidME3253278158C016014798157.1234
pentadecanoate (15:0)Pentadecylic acidME32532813849C165375521241.2173
pentose acid*Valeric acidME325329--2180165.04046
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME32533074483C18142662498.93021
perfluorooctanoate (PFOA)Perfluorooctanoic acidME3253319554-685412.96642
phenol sulfatePhenyl hydrogen sulfateME32533274426C021802156172.9914
phenylacetylglutamateN-Phenylacetylglutamic acidME32533311579826-1570264.08774
phenylacetylglutaminealpha-N-PhenylacetylglutamineME32533492258C041482145265.11829
phenylalaninePhenylalanineME3253356140C000792878166.08626
phenylalanylphenylalaninePhe-PheME3253366993090-4292311.14011
phenylalanyltryptophanPhe-TrpME325337134906-4165350.15101
phenyllactate (PLA)Phenyllactic acidME3253383848C056072208165.05571
phenylpyruvatePhenylpyruvic acidME325339997C001662515163.04007
phosphatePhosphoric acidME3253401061C0000957698.98418
phosphoethanolaminePhosphoethanolamineME3253411015C00346700142.02638
phytanatePhytanic acidME32534226840C016075908311.29555
picolinatePicolinic acidME3253431018C10164910124.03931
picolinoylglycine-ME32534411788622-1867179.04621
pimelate (C7-DC)Pimelic acidME325345385C026562745159.06628
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME325346--2773304.17547
pioglitazonePioglitazoneME3253474829C076753240357.12674
pipecolatePipecolic acidME325348849C004082200130.08626
piperinePiperineME325349638024C038821168286.14377
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME325350123796-5145495.29634
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME325351--5160397.20541
pregnenediol disulfate (C21H34O8S2)*-ME325352--3868238.07747
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME325353--5000397.20541
pregnenetriol disulfate*-ME325354--3504246.07493
pregnenetriol sulfate*-ME325355--4749413.20033
pregnenolone sulfatePregnenolone sulfateME325356105074-5100395.18976
pristanatePristanic acidME325357123929-5773297.2799
pro-hydroxy-proPro-hydroxyProME32535811673055-2128229.11829
prolineProlineME325359145742C001481603116.07061
prolylglycinePro-GlyME3253606426709-2136173.09207
propionylcarnitine (C3)CAR 3:0ME325361107738C030172590218.13869
propionylglycinePropionylglycineME32536298681-960130.05096
propyl 4-hydroxybenzoate sulfate-ME325363--3971259.02818
pseudouridinePseudouridineME32536415047C020671100243.06226
pyridoxalPyridoxalME3253651050C002502343168.06552
pyridoxate4-Pyridoxic acidME3253666723C008472185182.04588
pyroglutamine*PyroglutamineME325367134508-1900129.06586
pyrralinePyrralineME325368122228-2304253.11938
pyruvatePyruvic acidME3253691060C00022108387.00877
quinateQuinic acidME3253706508C002962432.9191.05611
quinineQuinineME3253712728270-3378325.19106
quinolinateQuinolinic acidME3253721066C03722845168.02914
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME32464853481617-2400248.14925
ranitidineRanitidineME3253733001055D004222910315.14854
resveratrol disulfate (1)*-ME325374--2530192.98886
resveratrol disulfate (2)*-ME325375--2840192.98886
resveratrol sulfate (1)*-ME325376--3250307.02818
retinalRetinalME325377638015C003761666285.2213
retinol (Vitamin A)RetinolME325378445354C004731636269.22639
ribitolRibitolME3253796912C004741789.6151.06119
riboflavin (Vitamin B2)RiboflavinME325380493570C002553160255.08873
ribonateRibonic acidME3253815460677C016852425165.04046
ribulonate/xylulonate/lyxonate*-ME325382--2350165.04046
ritalinic acidRitalinic acidME32538386863-3207220.13321
rosuvastatin-ME325384446157D019154500480.161
rosuvastatin lactone-ME325385--1044464.165
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME3253861196C043221528114.05496
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME324649--2340248.14925
(S)-a-amino-omega-caprolactamL-2-aminohexano-6-lactamME324650439823C053282378129.10224
saccharinSaccharinME3253915143D010852000181.99173
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME325387439155C000211832.4383.11431
salicylateSalicylic acidME325392338C00805802137.02422
salicyluric glucuronide*Salicyluric glucuronideME325393--1463370.07797
S-allylcysteineS-AllylcysteineME32538898280-2690162.05833
sarcosineSarcosineME3253941088C00213128090.05496
sebacate (C10-DC)Sebacic acidME3253955192C082771788201.11323
sedoheptuloseGlucoheptuloseME3253965459879-2255209.06667
serineSerineME3253975951C000651239106.04987
serotoninSerotoninME3253985202C007802550177.10224
sitagliptinSitagliptinME32539911306691-4485468.11119
S-methylcysteineMethylcysteineME32538924417-880134.02812
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME32539082142-900152.03759
spermidineSpermidineME3254001102C003153355146.16518
spermineSpermineME3254011103C007503350203.22303
sphingadienineSphingadienineME3254026449795-1350298.27406
sphinganineSphinganineME3254033126C008361413302.30536
sphinganine-1-phosphateSphinganine 1-phosphateME325404520-1431382.27169
sphingosineSphingosineME3254055353955C003191393300.28971
sphingosine 1-phosphateSphingosine 1-phosphateME3254065283560C061241375380.25604
stachydrineStachydrineME325407115244C101721440144.10191
stearate (18:0)Stearic acidME3254085281C015305872283.26425
stearidonate (18:4n3)Stearidonic acidME3254095312508C163005395275.20165
stearoylcarnitine (C18)CAR 18:0ME3254116426855-1485428.37344
stearoylcholine*StearoylcholineME325412--1520370.36797
stearoyl ethanolamideStearoyl-EAME32541027902-1787328.32101
suberate (C8-DC)Suberic acidME32541310457C082782577.6173.08193
suberoylcarnitine (C8-DC)CAR DC8:0ME325414--2964318.19112
succinateSuccinic acidME3254151110C00042603117.01933
succinimideSuccinimideME32541611439C072732155116.03532
succinoyltaurine-ME325417--2572224.02343
succinylcarnitine (C4-DC)CAR DC4:0ME32541871464481-2291262.12852
sucroseSucroseME3254195988C000893092387.11442
sulfate*-ME3254241118C0005961696.9601
sulfate of piperine metabolite C16H19NO3 (2)*-ME325420--4112352.08601
sulfate of piperine metabolite C16H19NO3 (3)*-ME325421--4200352.08601
sulfate of piperine metabolite C18H21NO3 (1)*-ME325422--4481378.10167
sulfate of piperine metabolite C18H21NO3 (3)*-ME325423--4630378.10167
tadalafilTadalafilME3254254687521-4898388.13028
tartronate (hydroxymalonate)Hydroxypropanedioic acidME32542645C02287610118.99859
taurineTaurineME3254271123C00245660126.02195
taurochenodeoxycholateTaurochenodeoxycholic acidME325428387316C054655250498.28948
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME325429--4809288.61951
taurocholateTaurocholic acidME3254306675C051225150514.28439
taurocholenate sulfate*Taurocholenate sulfateME325431--4750279.61422
taurodeoxycholateTaurodeoxycholic acidME3254322733768C054635257.4498.28948
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME325433--4850288.61951
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME325434440071C036425027280.62205
tetradecadienedioate (C14:2-DC)*-ME325435--3148253.14453
tetradecadienoate (14:2)*Tetradecadienoic acidME3254365312409-5292223.17035
tetradecanedioate (C14-DC)Tetradecanedioic acidME32543713185-3985257.17583
theanineN(5)-Ethyl-glutamineME325438439378C010472180175.10772
theobromineTheobromineME3254395429C074801600181.07201
theophyllineTheophyllineME3254402153C071302356.9179.05745
thioprolineThioprolineME32544193176-1250134.02703
threonateThreonic acidME325442151152C016202384135.02989
threonineThreonineME3254436288C001881514120.06552
thymol sulfateThymolME325444-C099084410229.054
thyroxineThyroxineME3254455819C018294808775.67944
tiglylcarnitine (C5:1-DC)CAR DC5:1ME32544622833596-2962244.15434
topiramateTopiramateME3254475284627C075024021338.09151
tramadolTramadolME32544833741C07153760264.19581
trans-2-hexenoylglycine-ME325449--2707170.08226
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3254505810C011571064132.06552
trans-urocanateUrocanic acidME325451736715C007852285139.05021
trazadoneTrazodoneME3254525533C07156,D086263498372.15857
triamtereneTriamtereneME3254535546D003863164254.11487
tridecenedioate (C13:1-DC)*-ME325454--3051241.14453
trigonelline (N'-methylnicotinate)TrigonellineME3254555570C010041388138.05496
trimethylamine N-oxideTrimethylamine N-oxideME3254561145C01104210076.07569
tryptophanTryptophanME3254576305C000782986205.09716
tryptophan betaineLenticinME325458442106C092132673247.14411
tyramine O-sulfateTyramine-O-sulfateME325459153005-1565216.0336
tyrosineTyrosineME3254606057C000822430182.08117
umbelliferone sulfateUmbelliferone sulfateME325461129659-2440240.98123
undecanedioate (C11-DC)Undecanedioic acidME32546215816-2440215.12888
undecenoylcarnitine (C11:1)CAR 11:1ME325463--1069328.24824
uracilUracilME3254641174C001061089.7111.02
urateUric acidME3254651175C00366757.1167.02106
ureaUreaME3254661176C00086700121.07201
uridineUridineME3254676029C002991457.6243.06226
ursodeoxycholateUrsodeoxycholic acidME32546831401C078805055391.28538
valineValineME3254696287C001832479118.08626
valsartanValsartanME3254705650-4228434.21976
valylglycineVal-GlyME325471136487-1519173.09316
vanillactateVanillactic acidME325472160637-1625211.06119
vanillic acid glycine-ME3254733083688-1682224.05644
vanillic alcohol sulfate-ME325474--1808233.01253
vanillylmandelate (VMA)Vanillylmandelic acidME3254751245C05584941197.04555
venlafaxineVenlafaxineME3254765656C07187848278.21146
verapamilVerapamilME3254772520D02356945455.29044
warfarinWarfarinME325478-C015413790307.09758
xanthineXanthineME3254791188C003852023151.02615
xanthurenateXanthurenic acidME3254805699C024701476204.03023
ximenoylcarnitine (C26:1)*CAR 26:1ME325481--1607538.48299
xyloseXyloseME325482135191C001811727195.05103
zolpidemZolpidemME325483--3346308.17574


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