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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
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME36559475810C058282064-
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME3655956451814-1989-
1-methylhistidine1-MethylhistidineME36559692105C011522755-
1-methylnicotinamide1-Methyl nicotinamideME36559710129985C029181940-
1-ribosyl-imidazoleacetateImidazoleacetic acid ribosideME3655985117448C051312006-
2-aminobutyrate2-Aminobutyric acidME365600439691C022612059-
2-aminoheptanoate2-Aminoheptanoic acidME365601227939-3160-
2-aminooctanoate2-Aminocaprylic acidME36553769522-750-
2-hydroxyglutarate2-Hydroxyglutaric acidME36560243C02630958-
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME3656036426901-3050-
2'-O-methylcytidine2'-O-MethylcytidineME365599150971-2411-
2-oxoarginine2-OxoarginineME365604558C037711760-
2-piperidinone2-PiperidinoneME36560512665-1675-
3-amino-2-piperidone3-Amino-2-piperidoneME3656075200225-2065-
3-aminoisobutyrate3-Aminoisobutanoic acidME36560864956C051452190-
3-(cystein-S-yl)acetaminophen3-(Cystein-S-yl)acetaminophenME3656065233914-2420-
3-formylindole1H-Indole-3-carboxaldehydeME36560910256C084932736-
3-hydroxybutyroylglycine-ME365610--978-
3-methoxytyrosine3-MethoxytyrosineME3656111670-2555-
3-methylcytidine3-MethylcytidineME365612159649-2176-
3-methylhistidine3-MethylhistidineME36561364969C011522670-
3-ureidopropionateUreidopropionic acidME365614111C02642875-
4-cholesten-3-oneCholestenoneME36553891477C005992520-
4-guanidinobutanoate4-Guanidinobutanoic acidME365615500C010352320-
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME365616439902C030791141-
4-imidazoleacetateImidazoleacetic acidME36561796215C028352055-
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME365539--1135-
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME365618--2755-
5-hydroxylysine5-HydroxylysineME3656191029C167412790-
5-methylthioadenosine (MTA)5'-MethylthioadenosineME365620439176C001702752-
5-methylthioribose5-MethylthioriboseME365621494-790-
7-methylguanine7-MethylguanineME36562211361C022422175-
acetylcarnitine (C2)CAR 2:0ME3656231C025712282-
adenineAdenineME365624190C001472221-
adenosine 5'-monophosphate (AMP)AMPME3656256083C000201013-
adipoylcarnitine (C6-DC)CAR DC5:0ME36562671296139-2570-
alanineAlanineME3656275950C000411700-
alpha-tocopherolalpha-TocopherolME36554014985C024772522-
anthranilate2-Aminobenzoic acidME365628227C001082606-
arachidonoylcarnitine (C20:4)CAR 20:4ME365541--1353-
arachidonoylcholineArachidonoylcholineME365542--1390-
arachidoylcarnitine (C20)CAR 20:0ME365543--1512-
argininateArgininic acidME365629160437-2150-
arginineArginineME365630232C000622825-
asparagineAsparagineME3656316267C001521225-
aspartateAspartic acidME3656325960C000491165-
behenoylcarnitine (C22)CAR 22:0ME365544--1561-
beta-alaninebeta-AlanineME365633239C000991905-
beta-cryptoxanthinCryptoxanthinME3655456384256-2560-
betaineBetaineME365634247C007191064-
beta-sitosterolSitosterolME365546222284C017533054-
betonicineBetonicineME365635164642C082691012-
bilirubin (E,E)BilirubinME3655475315454-1045-
bilirubin (Z,Z)BilirubinME3655485280352C004861840-
biliverdinBiliverdinME3655495353439C005001016-
butyrylcarnitine (C4)CAR 4:0ME365636439829C028622860-
caffeineCaffeineME3656372519C074812106-
campesterolCampesterolME365550173183C017892873-
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME3656382572-2085-
carnitineCarnitineME36563910917C003181978-
carotene diol (2)Carotene diolME365551--1904-
carotene diol (3)Carotene diolME365552--1948-
cerotoylcarnitine (C26)CAR 26:0ME365553--1649-
cholesterolCholesterolME36555411025495C001872707-
cholineCholineME365640305C001141961-
choline phosphateCholine phosphateME3656411014C00588700-
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME365555--1057-
citrateCitric acidME365642311C00158915-
citrullineCitrullineME3656439750C003271520-
creatineCreatineME365644586C003001947-
creatinineCreatinineME365645588C007912055-
cys-gly, oxidizedCYS-GLY, oxidizedME365646333293-2947-
cystathionineCystathionineME365647439258C022912270-
cysteineCysteineME3656485862C000971475-
cysteine-glutathione disulfideS-Glutathionyl-cysteineME3656514247235-2465-
cysteine s-sulfateCysteine-S-sulfateME365649115015C05824565-
cysteine sulfinic acid3-Sulfino-alanineME365650109C00606597-
cysteinylglycineCys-GlyME365652439498C014192132-
cysteinylglycine disulfideCysteinylglycine disulfideME365653--2547-
cystineCystineME36565467678C004912000-
cytidineCytidineME3656556175C004752124-
cytosineCytosineME365656597C003802060-
decanoylcarnitine (C10)CAR 10:0ME36555610245190-1130-
deoxycarnitine3-DehydroxycarnitineME365657134C011812052-
dihomo-linolenoylcarnitine (C20:3n3 or 6)CAR 20:3ME365558--1392-
dihomo-linolenoyl-choline-ME365557--1424-
dihomo-linoleoylcarnitine (C20:2)CAR 20:2ME365559--1436-
dimethylarginine (SDMA + ADMA)DimethylarginineME365659123831C036262850-
dimethylglycineDimethylglycineME365660673C010261104-
dimethyl sulfoneDimethyl sulfoneME3656586213C11142832-
docosahexaenoylcholine-ME365560--1378-
doxycyclineDoxycyclineME365561--829-
ectoineEctoineME365661126041C062311980-
ergothioneineErgothioneineME3656623032311C05570850-
formiminoglutamateFormiminoglutamic acidME365663439233C004391880-
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME365664--2380-
gamma-glutamylalaninegamma-GlutamylalanineME365667440103-1986-
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME36566565254-2784-
gamma-glutamylcitrulline-ME365668--1644-
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME3656667015685-2725-
gamma-glutamylglutamategamma-Glutamylglutamic acidME36566992865C052821775-
gamma-glutamylglutaminegamma-GlutamylglutamineME365670150914C052831430-
gamma-glutamylglycinegamma-GlutamylglycineME365671165527-1535-
gamma-glutamylhistidinegamma-GlutamylhistidineME3656727017195-2740-
gamma-glutamylisoleucinegamma-GlutamylisoleucineME36567314253342-2940-
gamma-glutamylleucinegamma-GlutamylleucineME365674151023-2991-
gamma-glutamylmethioninegamma-GlutamylmethionineME3656757009567-2640-
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME365676111299-2992-
gamma-glutamylserinegamma-Glu-SerME365677--1351-
gamma-glutamylthreoninegamma-GlutamylthreonineME36567876078708-1750-
gamma-tocopherol/beta-tocopherolbeta-tocopherolME365562--2384-
glutamateGlutamic acidME365679611C000251500-
glutamineGlutamineME3656805961C000641291-
glutarylcarnitine (C5-DC)CAR DC5:0ME36568171464488-2393-
glycerol 3-phosphatesn-Glycero-3-phosphateME365682754C00093580-
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME365683123874C01233659-
glycerophosphoinositolsn-Glycero-3-phosphoinositolME365684167572-516-
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME36568571920C00670672-
glycerophosphoserinesn-Glycero-3-phosphoserineME3656863081457-577-
glycineGlycineME365687750C000371375-
glycodeoxycholateGlycodeoxycholic acidME3655633035026C054641302-
glycylvalineGly-ValME36568897417-2734-
guanidinoacetateGuanidoacetic acidME365689763C005811937-
guanosineGuanosineME3656906802C003871728-
hemeHemeME36556426945C000321124-
hexanoylcarnitine (C6)CAR 6:0ME3656916426853-3358-
histidine betaine (hercynine)HercynineME3656923083620-2094-
homoarginineHomoarginineME3656939085C019242882-
homostachydrine(S)-HomostachydrineME365694441447C082831750-
hydroxyasparagineHydroxyasparagineME36569697663C031241149-
hydroxy-N6,N6,N6-trimethyllysine-ME365695--2759-
hypotaurineHypotaurineME365697107812C00519724-
imidazole lactateImidazolelactic acidME365698440129C055682040-
imidazole propionateImidazole propanoateME36569970630-2263-
indoleacetylglutamineIndoleacetyl glutamineME36570025200879-2185-
indolin-2-oneIndolin-2-oneME365701321710C123122575-
isobutyrylcarnitine (C4)CAR 3:0;2MeME365702168379-2810-
isocitrateIsocitric acidME3657031198C00311773-
isoleucineIsoleucineME3657046306C004072800-
isovalerylcarnitine (C5)CAR 4:0;3MeME3657056426851-3085-
kynurenineKynurenineME365706161166C003282739-
lanthionineLanthionineME36570798504-1730-
laurylcarnitine (C12)CAR 12:0ME36556610427569-1235-
leucineLeucineME3657086106C001232864-
leucylalanineLeu-AlaME365709259321-2801-
leucylglycineLeu-GlyME36571079070-2778-
lignoceroylcarnitine (C24)CAR 24:0ME365567--1603-
linoleoylcarnitine (C18:2)CAR 18:2ME3655686450015-1430-
linoleoylcholinealpha-LinoleoylcholineME365569--1388-
L-urobilinL-UrobilinME3655655280818C05793901-
lysineLysineME3657115962C000472850-
methionineMethionineME3657126137C000732526-
methionine sulfoneMethionine sulfoneME36571369961-1250-
methionine sulfoxideMethionine sulfoxideME365714158980C029891272-
methyl indole-3-acetateIndole-3-methyl acetateME36571574706-3380-
methylphosphateMethanolphosphateME36571613130-544-
myristoleoylcarnitine (C14:1)CAR 14:1ME36557090659872-1316-
myristoylcarnitine (C14)CAR 14:0ME3655716426854-1350-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME36574469698C058421250-
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME365745440810C058431260-
N1-methyladenosine1-MethyladenosineME36574627476C024942120-
N1-methylinosine1-MethylinosineME36574765095-1430-
N1,N12-diacetylspermineN1,N12-DiacetylspermineME365743132680C034133105-
(N(1) + N(8))-acetylspermidineAsparagineME365591--3080-
N2-acetyl,N6-methyllysineN2-Acetyl,N6-methyllysineME365749--2168-
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME36574892919-2210-
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME365752123800-2500-
N6-methyladenosineN6-MethyladenosineME3657531869-2264-
N6-methyllysineN(6)-MethyllysineME365754164795C027282831-
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME365751193344C055452831-
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME365750440120C037932825-
N-acetyl-1-methylhistidineN-Acetyl-3-methylhistidineME365720193270-2100-
N-acetylarginineN-AcetylarginineME36572267427C025622245-
N-acetylasparagineN-AcetylasparagineME36572399715-785-
N-acetylcitrullineN-AcetylcitrullineME365724656979C155321010-
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME36572524139-715-
N-acetylglucosaminylasparagineAspartylglycosamineME365726123826C045401212-
N-acetylglutamateN-Acetylglutamic acidME36572770914C006241050-
N-acetylglutamineN-AcetylglutamineME365728182230C02716845-
N-acetylglycineN-AcetylglycineME36572910972-826-
N-acetylhistamineN-AcetylhistamineME36573069602C051352287-
N-acetylhistidineN-AcetylhistidineME36573175619C029972065-
N-acetyl-isoputreanineN-AcetylisoputreanineME365721--2305-
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME365732193368-880-
N-acetylneuraminateN-Acetylneuraminic acidME365733439197C00270660-
N-acetylprolineN-Acetyl-prolineME365734322640-1695-
N-acetylputrescineN-AcetylputrescineME365735122356C027142230-
N-acetyltryptophanN-Acetyl-tryptophanME365736700653C031372640-
N-alpha-acetylornithineN-AcetylornithineME365737439232C004372000-
N-carbamoylalanineN-CarbamoylalanineME365738426409-950-
nervonoylcarnitine (C24:1)CAR 24:1ME365572--1602-
nicotinamideNiacinamideME365755936C001531942-
N-methylhydroxyprolineN-Methyl-4-hydroxyprolineME365739--1145-
N-methylpipecolateN-methyl pipecolic acidME36574011286529-1932-
N-methylprolineN-Methyl-prolineME365741557-1335-
N-monomethylarginineTarginineME365742132862C038842845-
N,N-dimethyl-5-aminovalerateN,N-Dimethyl-5-aminovaleric acidME365719--2290-
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME365717--2186-
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME365718--2470-
nonanoylcarnitine (C9)CAR 9:0ME365573--1003-
octadecanedioylcarnitine (C18-DC)CAR DC18:0ME365574--1227-
octadecenedioylcarnitine (C18:1-DC)CAR DC18:1ME365575--1180-
octanoylcarnitine (C8)CAR 8:0ME365576123701C02838950-
oleoylcarnitine (C18:1)CAR 18:1ME3655776441392-1423-
oleoylcholineOleoylcholineME365578--1449-
ornithineOrnithineME3657566262C000772800-
palmitoleoylcarnitine (C16:1)CAR 16:1ME36557971464547-1357-
palmitoylcarnitine (C16)CAR 16:0ME365580461C029901425-
palmitoylcholinePalmitoylcholineME365581151731-1482-
paraxanthineParaxanthineME3657574687C137471810-
phenylacetylcarnitine-ME365758101724840-3092-
phenylalaninePhenylalanineME3657596140C000792878-
phenylalanylglycinePhe-GlyME36576098207-2898-
phosphatePhosphoric acidME3657611061C00009576-
phosphoethanolaminePhosphoethanolamineME3657621015C00346700-
picolinatePicolinic acidME3657631018C10164910-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME365764--2773-
pipecolatePipecolic acidME365765849C004082200-
pro-hydroxy-proPro-hydroxyProME36576611673055-2128-
prolineProlineME365767145742C001481603-
prolylglycinePro-GlyME3657686426709-2136-
propionylcarnitine (C3)CAR 3:0ME365769107738C030172590-
pyroglutaminePyroglutamineME365770134508-1900-
quinolinateQuinolinic acidME3657711066C03722845-
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME36559253481617-2400-
retinol (Vitamin A)RetinolME365582445354C004731636-
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME3657721196C043221528-
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME365593--2340-
S-allylcysteineS-AllylcysteineME36577398280-2690-
sarcosineSarcosineME3657771088C002131280-
S-carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME3657741080C037271490-
serineSerineME3657785951C000651239-
serotoninSerotoninME3657795202C007802550-
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME36577582142-900-
S-methylmethionineS-MethylmethionineME365776458C053192555-
spermidineSpermidineME3657801102C003153355-
sphingadienineSphingadienineME3655836449795-1350-
sphinganineSphinganineME3655843126C008361413-
sphinganine-1-phosphateSphinganine 1-phosphateME365585520-1431-
sphingosineSphingosineME3655865353955C003191393-
sphingosine 1-phosphateSphingosine 1-phosphateME3655875283560C061241375-
stachydrineStachydrineME365781115244C101721440-
stearoylcarnitine (C18)CAR 18:0ME3655886426855-1485-
stearoylcholineStearoylcholineME365589--1520-
succinylcarnitine (C4-DC)CAR DC4:0ME36578271464481-2291-
sulfamethoxazoleSulfamethoxazoleME3657835329D00285,C07315,D004472405-
taurineTaurineME3657841123C00245660-
theanineN(5)-Ethyl-glutamineME365785439378C010472180-
theobromineTheobromineME3657865429C074801600-
theophyllineTheophyllineME3657872153C071301870-
thioprolineThioprolineME36578893176-1250-
threonineThreonineME3657896288C001881514-
tiglylcarnitine (C5:1-DC)CAR DC5:1ME36579022833596-2962-
trans-4-hydroxyprolinetrans-4-HydroxyprolineME3657915810C011571064-
trans-urocanateUrocanic acidME365792736715C007852285-
trigonelline (N'-methylnicotinate)TrigonellineME3657935570C010041388-
trimethylamine N-oxideTrimethylamine N-oxideME3657941145C011042100-
tryptophanTryptophanME3657956305C000782986-
tryptophan betaineLenticinME365796442106C092132673-
tyrosineTyrosineME3657976057C000822430-
ureaUreaME3657981176C00086700-
valineValineME3657996287C001832479-
ximenoylcarnitine (C26:1)CAR 26:1ME365590--1607-


Analysis: Reversed phase NEGATIVE 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 acidME3658135312435-5555-
10-undecenoate (11:1n1)10-Hendecenoic acidME36581414891C139105085.8-
12,13-DiHOME12,13-DiHOMEME36581510236635C148295137-
1,2,3-benzenetriol sulfate (2)-ME365801--1709-
12-HETE12-HETEME3658165312983-5326-
12-HHTrE12S-HHTrEME3658175283141C203885175-
13-HODE + 9-HODEHODEME36581843013-5275-
14-HDoHE/17-HDoHE-ME365819--5296-
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME36580264960C07326802-
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME365820--4240-
1,7-dimethylurate1,7-Dimethyluric acidME36580391611C163561578.6-
1-carboxyethylisoleucine1-CarboxyethylisoleucineME365804--2628-
1-carboxyethylleucine1-CarboxyethylleucineME365805--2663-
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME365806--2844-
1-carboxyethyltyrosine1-CarboxyethyltyrosineME365807--1846-
1-carboxyethylvaline1-CarboxyethylvalineME365808--2008-
1-hydroxy-2-naphthalenecarboxylate1-Hydroxy-2-naphthoateME3658096844C032033930-
1-linoleoyl-GPG (18:2)LPG 18:2/0:0ME365810--5516-
1-palmitoyl-GPG (16:0)LPG 16:0/0:0ME3658113300276-5570-
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME365812--5816-
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME365843134595-3935-
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME365823301941-787-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)2,3-Dihydroxy-5-methylthio-4-pentenoic acidME365824--1156-
(2,4 or 2,5)-dimethylphenol sulfate-ME365800--3474-
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME3658259338-2575-
2-aminoadipatealpha-Aminoadipic acidME365826469C00956639.2-
2-aminophenol sulfate2-Aminophenyl sulfateME365827181670-1677-
2'-deoxyuridineDeoxyuridineME36582113712C005261586-
2-ethylphenylsulfate-ME365828--3416-
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME365829164623-1800-
2-hydroxyacetaminophen sulfate2-Hydroxyacetaminophen sulfateME36583086290013-1674-
2-hydroxybehenate2-Hydroxy behenic acidME365831193484-6384-
2-hydroxydecanoate2-Hydroxycapric acidME36583221488-4840-
2-hydroxyfluorene sulfate-ME365833--4372-
2-hydroxynervonateHydroxynervonic acidME3658345312783-6345-
2-hydroxyoctanoate2-Hydroxyoctanoic acidME36583594180-3736.8-
2-hydroxypalmitate2-Hydroxypalmitic acidME36583692836-5511.2-
2-hydroxystearate2-Hydroxystearic acidME36583769417C030455695-
2-methoxyacetaminophen glucuronide2-Methoxyacetaminophen glucuronideME36583814367271-1633-
2-methoxyacetaminophen sulfate2-Methoxyacetaminophen sulfateME36583986290014-1949-
2-methoxyresorcinol sulfate-ME365840--1863-
2-methylcitrate/homocitrateHomocitric acidME365841--575-
2-naphthol sulfate2-Naphthyl sulfateME36584274428-3658-
2'-O-methyluridine2'-O-MethyluridineME365822102212-1831-
3-(3-amino-3-carboxypropyl)uridine3-(3-amino-3-carboxypropyl)uridineME365844171198-1369-
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME36584591C114571980-
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME3658469378C036721379-
3-acetylphenol sulfate3-Acetylphenol sulfateME365849--2477-
3beta,7alpha-dihydroxy-5-cholestenoate3beta,7alpha-Dihydroxy-5-cholestenoic acidME3658693081084C173355275-
3beta-hydroxy-5-cholestenoateCholestenoic acidME365870165511C173335398-
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME36586892997-5205-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME365850194501-4000-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME365851123979-2800-
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME365852188979-975-
3-hydroxydecanoate3-Hydroxydecanoic acidME36585326612-4634.7-
3-hydroxydodecanedioate3-Hydroxy-dodecanedioic acidME36585416663321-2252-
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME365855151492-1725-
3-hydroxyhippurate3-Hydroxyhippuric acidME365856450268-1687-
3-hydroxylaurate3-Hydroxydodecanoic acidME36585794216-5175-
3-hydroxyoctanoate3-Hydroxyoctanoic acidME36585826613-3446-
3-hydroxyoleate-ME365859--5508-
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME365860--1595.5-
3-indoxyl sulfateIndoxyl sulfateME36586110258-2222.2-
3-methoxycatechol sulfate (1)-ME365862--2163-
3-methoxytyramine sulfate3-Methoxytyramine sulfateME365863--1722-
3-methyl-2-oxobutyrateKetoisovaleric acidME36586549C001411465-
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME36586647C006712064.2-
3-methyl catechol sulfate (1)-ME365864--2790-
3-(methylthio)acetaminophen sulfate-ME365847--2265-
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME36584883967-2094-
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME365867107C056292860-
4-acetamidobutanoate4-Acetamidobutanoic acidME36587118189C02946894-
4-acetamidophenolAcetaminophenME3658721983C068042173.7-
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME36587383944-1400-
4-acetaminophen sulfateParacetamol sulfateME36587483939C068041792-
4-acetylphenol sulfate4-Acetylphenyl sulfateME3658754684006-2375-
4-allylphenol sulfate4-Allylphenol sulfateME365876--3805-
4-ethylphenylsulfate4-EthylphenolME365877-C136373580-
4-hydroxycoumarin4-HydroxycoumarinME36587854682930C204142470-
4-hydroxyhippurate4-Hydroxyhippuric acidME365879151012-1475-
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME365880127C006421361-
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME365881--1650-
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME365882979C011791690-
4-methyl-2-oxopentanoateKetoleucineME36588370C002332170-
4-methylcatechol sulfate-ME365884--2665-
4-methylguaiacol sulfate-ME365885--2978-
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME365886--3354-
4-vinylphenol sulfate4-HydroxystyreneME3658876426766C056273320-
5,6-dihydrothymineDihydrothymineME36588893556C009061637.8-
5,6-dihydrouracilDihydrouracilME365889649C004291120-
5,6-dihydrouridine5,6-DihydrouridineME36589094312-1119-
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME365897--3962-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME365898--5060-
5-dodecenoate (12:1n7)5-Dodecenoic acidME3658915312378-5224-
5-hydroxyhexanoate5-Hydroxycaproic acidME365892170748-1267-
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME3658941826C056351510.2-
5-hydroxyindole sulfate-ME365893--1928-
5-methyluridine (ribothymidine)RibothymidineME365895445408-1778.1-
5-oxoprolinePyroglutamic acidME3658967405C01879738.5-
6-bromotryptophan6-BromotryptophanME365899--3565-
6-hydroxyindole sulfate6-Hydroxyindole sulfateME365900--2498-
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME3659013014237-965-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME3659023081085C173375288.1-
7-hydroxyindole sulfate-ME365903--1765-
8-hydroxyoctanoate8-Hydroxyoctanoic acidME36590469820-2300-
9,10-DiHOME9,10-DiHOMEME3659059966640C148285180-
acesulfameAcesulfameME36590636573-1581-
acisogaAcisogaME365907129397-2297-
aconitate [cis or trans]cis-Aconitic acidME365908--580-
adrenate (22:4n6)Adrenic acidME3659095497181C165275678-
alpha-hydroxycaproate2-Hydroxyhexanoic acidME36591099824-1920-
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME36591183697C032641840-
amoxicillinAmoxicillinME3659122171C068272365-
androstenediol (3alpha, 17alpha) monosulfate (3)-ME365913--5180-
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME36591487120982C042953740-
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME36591587120982C042954065-
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME365916159663-5022-
arachidate (20:0)Arachidic acidME36591710467C064256240-
arachidonate (20:4n6)Arachidonic acidME365918444899C002195535-
azelate (C9-DC)Azelaic acidME3659192266C082611276-
benzoateBenzoic acidME365920243C001801750-
beta-citrylglutamateBeta-Citryl-glutamic acidME36592172715786C20775530-
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME36592269362-1027-
caprate (10:0)Capric acidME3659242969C015715090.7-
caproate (6:0)Caproic acidME3659258892C015852713.7-
caprylate (8:0)Caprylic acidME365926379C064234362-
catechol sulfateCatechol sulfateME3659273083879-1906-
C-glycosyltryptophanC-GlycosyltryptophanME36592310981970-1777-
cholateCholic acidME365928221493C006955165-
cinnamoylglycineCinnamoylglycineME365929709625-3127-
cis-4-decenoate (10:1n6)4Z-Decenoic acidME3659305312351-4890-
corticosteroneCorticosteroneME3659315753C021405040-
cortisolCortisolME3659325754C007354710-
cortisoneCortisoneME365933222786C007624575-
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME36593412594C045554745-
diclofenacDiclofenacME365935-C016904903-
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME3659366439848C165255730-
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME3659375280581C032425596-
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME3659385282807C165336034-
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME365939445580C064295525-
docosapentaenoate (n3 DPA; 22:5n3)DPAME3659406441454C165135571-
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME3659416441454C165135624.5-
dodecadienoate (12:2)Dodecadienoic acidME365942--5146-
dodecanedioate (C12-DC)Dodecanedioic acidME36594312736C026782990-
dodecenedioate (C12:1-DC)Traumatic acidME365944--2700-
dopamine 3-O-sulfateDopamine 3-O-sulfateME365945122136C136901556.2-
dopamine 4-sulfateDopamine 4-sulfateME365946123932C136911511-
eicosanedioate (C20-DC)Eicosanedioic acidME36594775502-5200.9-
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME365948446284C064285450-
eicosenedioate (C20:1-DC)-ME365949--5095-
eicosenoate (20:1)cis-Gondoic acidME3659505282768C165265950-
erucate (22:1n9)cis-Erucic acidME3659515281116C083166355.6-
eugenol sulfateEugenol sulfateME365952180632-3782-
Fibrinopeptide A (2-15)-ME365953--2120-
Fibrinopeptide A (3-15)-ME365954--2419-
Fibrinopeptide A (3-16)-ME365955--2786-
Fibrinopeptide A (4-15)-ME365956--2570-
Fibrinopeptide A (5-16)-ME365957--2850-
Fibrinopeptide A (7-16)-ME365958--3258-
Fibrinopeptide A (8-16)-ME365959--3944-
Fibrinopeptide A, des-ala(1)-ME365960--2535-
Fibrinopeptide B (1-11)-ME365961--2389-
Fibrinopeptide B (1-12)-ME365962--2366-
Fibrinopeptide B (1-13)-ME365963--2482-
gamma-CEHCgamma-CEHCME365964133098-3843-
gamma-glutamyltyrosinegamma-GlutamyltyrosineME36596594340-1240-
gamma-glutamylvalinegamma-GlutamylvalineME3659667015683-1072-
glucuronide of C12H22O4 (1)-ME365968--2590-
glucuronide of C14H26O4 (1)-ME365969--3200-
glu-gly-asn-val-ME365967--1000-
glycerolGlycerolME365970753C00116758-
glyco-alpha-muricholate-ME365971--4734-
glyco-beta-muricholateGlyco-beta-muricholic acidME365972--4762-
glycochenodeoxycholateGlycochenodeoxycholic acidME36597312544C054665236.1-
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME365974--4820-
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME365975--4806-
glycocholateGlycocholic acidME36597610140C019215163-
glycocholenate sulfateGlycocholenate sulfateME365977--4750-
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME365978--4875-
glycohyocholateGlycohyocholic acidME365979--5020-
glycolithocholateGlycolithocholic acidME365980115245C155575357.1-
glycolithocholate sulfateSulfoglycolithocholic acidME36598172222C113015011-
glycoursodeoxycholateGlycoursodeoxycholic acidME36598212310288-5033-
guaiacol sulfateGuaiacol sulfateME36598322473-2344-
heneicosapentaenoate (21:5n3)Heneicosapentaenoic acidME36598411998573-5514-
heptanoate (7:0)Heptylic acidME3659858094C177143670-
hexadecadienoate (16:2n6)Hexadecadienoic acidME365986--5398-
hexadecanedioate (C16-DC)Hexadecanedioic acidME36598710459C196154615-
hexadecenedioate (C16:1-DC)-ME365988--4380-
hexanoylglutamineHexanoylglutamineME365989--2780-
hexanoylglycineHexanoylglycineME36599099463-2900-
hippurateHippuric acidME365991464C015862106.9-
histidineHistidineME3659926274C00135755.9-
homovanillate (HVA)Homovanillic acidME3659931738C055821649-
hydroquinone sulfateQuinol sulfateME365994161220C005301395-
hydroxy-CMPF-ME365995--1516-
hypoxanthineHypoxanthineME365996790C002621291.2-
indole-3-carboxylateIndole-3-carboxylic acidME36599769867C198371710-
indoleacetateIndoleacetic acidME365998802C009542200-
indolelactateIndolelactic acidME36599992904C020432286-
indolepropionate3-Indolepropionic acidME3660003744-2795-
indolepropionylglycineIndolepropionylglycineME3660017677842-2926-
inosineInosineME3660026021C002941602.1-
isobutyrylglycineIsobutyrylglycineME36600310855600-1420-
isoeugenol sulfate-ME366004--3893-
isoleucylglycineIle-GlyME366005342532-1992-
isoursodeoxycholateIsoursodeoxycholic acidME366006127601C176624809-
isovalerate (i5:0)Isovaleric acidME36600710430C082621564-
isovalerylglycineIsovalerylglycineME366008546304-1950-
kynurenateKynurenic acidME3660093845C017172224-
linoleate (18:2n6)Linoleic acidME3660105280450C015955535-
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME3660115280934C064265450-
lithocholate sulfate (1)Lithocholic acid sulfateME366012--4811-
malateMalic acidME366013525C00149615.6-
margarate (17:0)Margaric acidME36601410465-5731-
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME366016--2873-
methyl glucopyranoside (alpha + beta)Methyl glucoseME366015--1070-
methylnaphthyl sulfate (1)-ME366017--4117-
methylnaphthyl sulfate (2)-ME366018--4163-
metronidazoleMetronidazoleME3660194173D004092339-
myristate (14:0)Myristic acidME36602011005C064245440-
myristoleate (14:1n5)Myristoleic acidME3660215281119C083225346.9-
N-(2-furoyl)glycine2-FuroylglycineME36602221863-1525-
N2,N5-diacetylornithineN2,N5-DiacetylornithineME36604710398396-1367-
N4-acetyl-5-hydroxysulfamethoxazole-ME366048--1745-
N4-acetylcytidineN4-AcetylcytidineME366049107461-2040-
N4-acetylsulfamethoxazoleN-AcetylsulfamethoxazoleME36605065280C13061,D016012489-
N6-acetyllysineN6-AcetyllysineME36605192832C027271059-
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME366052161466-2164-
N6-succinyladenosineSuccinyladenosineME366053165243-940-
N-acetyl-2-aminooctanoateN-Acetyl-2-aminooctanoic acidME36602395555-3943-
N-acetylaspartate (NAA)N-Acetylaspartic acidME36602665065C01042620.5-
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME3660245255C12270575.3-
N-acetyl-beta-alanineN-Acetyl-beta-alanineME36602576406C01073773-
N-acetylcarnosineN-AcetylcarnosineME3660279903482-1235-
N-acetylisoleucineN-AcetylisoleucineME3660282802421-2325-
N-acetylleucineN-AcetylleucineME36602970912C027102400-
N-acetylmethionineN-AcetylmethionineME366030448580C027121787-
N-acetylphenylalanineN-AcetylphenylalanineME36603174839C035192597-
N-acetyltaurineN-AcetyltaurineME366032159864-800-
N-acetylthreonineN-AcetylthreonineME366033152204-821.6-
N-acetyltyrosineN-AcetyltyrosineME36603468310-1680-
N-acetylvalineN-AcetylvalineME36603566789-1704-
N-delta-acetylornithineN(5)-Acetyl-ornithineME3660369920500-858-
N-formylanthranilic acidFormylanthranilic acidME366037101399C056532150-
N-formylmethionineN-FormylmethionineME366038439750C031451543.8-
N-formylphenylalanineN-FormylphenylalanineME366039759256-2360-
N-linoleoylserine-ME366040--5492-
N-linoleoyltaurineN-Linoleoyl taurineME366041--5505-
N-oleoylserineNASer 18:1(9Z)ME366042--5600-
nonadecanoate (19:0)Nonadecylic acidME36605412591C165356068-
N-palmitoylglycineN-Palmitoyl glycineME366043151008-5580-
N-palmitoylserineN-Palmitoyl serineME3660446453686-5557-
N-stearoylserineN-Stearoyl serineME366045--5777-
N-stearoyltaurineN-Stearoyl taurineME366046168274-5782-
o-cresol sulfateo-Cresol sulfateME36605511615528-2796-
octadecadienedioate (C18:2-DC)Octadecanedioic acidME366057--4676-
octadecanedioate (C18-DC)Octadecanedioic acidME36605870095-5043-
octadecenedioate (C18:1-DC)-ME366059--4875-
oleate/vaccenate (18:1)Oleic acidME366060--5655-
oleoyl ethanolamideOleoyl-EAME3660615283454-6450-
O-sulfo-L-tyrosineSulfotyrosineME366056514186-990-
oxalate (ethanedioate)Oxalic acidME366062971C00209603-
palmitate (16:0)Palmitic acidME366065985C002495618-
palmitoleate (16:1n7)Palmitoleic acidME366066445638C083625475-
pantothenatePantothenic acidME3660676613C008641498.7-
p-cresol glucuronideP-Cresol glucuronideME366063154035-2420-
p-cresol sulfatep-Cresol sulfateME3660644615423-2890-
perfluorooctanoate (PFOA)Perfluorooctanoic acidME3660689554-5130-
phenol glucuronidePhenyl glucuronideME36606987235-1800-
phenol sulfatePhenyl hydrogen sulfateME36607074426C021802156-
phenylacetatePhenyl acetateME366071999C070862150-
phenylacetylglutamateN-Phenylacetylglutamic acidME36607211579826-1630-
phenylacetylglutaminealpha-N-PhenylacetylglutamineME36607392258C041482330-
phenyllactate (PLA)Phenyllactic acidME3660743848C056072208-
pregnenediol disulfate (C21H34O8S2)-ME366075--3868-
pregnenediol sulfate (C21H34O5S)Pregnenolone sulfateME366076--5000-
pregnenetriol disulfate-ME366077--3504-
pregnenetriol sulfate-ME366078--4749-
pregnenolone sulfatePregnenolone sulfateME366079105074-5100-
propionylglycinePropionylglycineME36608098681-960-
propyl 4-hydroxybenzoate sulfate-ME366081--3971-
pseudouridinePseudouridineME36608215047C020671100-
pyridoxate4-Pyridoxic acidME3660836723C008472185-
pyrralinePyrralineME366084122228-2304-
saccharinSaccharinME3660875143D010852000-
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME366085439155C000211832.4-
salicyluric glucuronideSalicyluric glucuronideME366088--1463-
S-methylcysteineMethylcysteineME36608624417-880-
stearate (18:0)Stearic acidME3660895281C015305872-
stearidonate (18:4n3)Stearidonic acidME3660905312508C163005395-
sucroseSucroseME3660915988C00089865-
sulfate-ME3660921118C00059616-
syringol sulfate-ME366093--2395-
tartronate (hydroxymalonate)Hydroxypropanedioic acidME36609445C02287610-
tauro-beta-muricholateTauro-beta-muricholic acidME366095168408-4774-
taurochenodeoxycholateTaurochenodeoxycholic acidME366096387316C054655250-
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME366097--4809-
taurocholateTaurocholic acidME3660986675C051225150-
taurocholenate sulfateTaurocholenate sulfateME366099--4750-
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME366100--4850-
taurohyocholateTaurohyocholic acidME366101--5000-
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME366102440071C036425027-
tauroursodeoxycholateTauroursodeoxycholic acidME3661039848818-5025-
tetradecadienedioate (C14:2-DC)-ME366104--3148-
tetradecadienoate (14:2)Tetradecadienoic acidME3661055312409-5292-
tetradecanedioate (C14-DC)Tetradecanedioic acidME36610613185-3985-
tetrahydrocortisol sulfate (1)-ME366107--4276-
threonylphenylalanineThr-PheME3661084099799-2322-
thromboxane B2TXB2ME3661095283137C059634526-
thymol sulfate-ME366110-C099084410-
thyroxineThyroxineME3661115819C018294808-
tridecenedioate (C13:1-DC)-ME366112--3051-
tyramine O-sulfateTyramine-O-sulfateME366113153005-1565-
undecanedioate (C11-DC)Undecanedioic acidME36611415816-2440-
urateUric acidME3661151175C00366757.1-
uridineUridineME3661166029C002991457.6-
valerate (5:0)Valeric acidME3661177991C008031718-
valylglycineVal-GlyME366118136487-1506-
vanillactateVanillactic acidME366119160637-1625-
vanillylmandelate (VMA)Vanillylmandelic acidME3661201245C05584941-
xanthosineXanthosineME36612164959C017621075-


Analysis: Reversed phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-arachidonoyl-GPA (20:4)LPA 20:4/0:0ME366122--1393-
1H-indole-7-acetic acid1H-Indole-7-acetic acidME366127--922-
1-linoleoyl-GPA (18:2)LPA 18:2/0:0ME366123--1441-
1-methylurate1-Methyluric acidME36612469726C163591900-
1-oleoyl-GPA (18:1)LPA 18:1/0:0ME3661255497152-1433-
1-palmitoyl-GPA (16:0)LPA 16:0/0:0ME3661266419701C040361445-
2,2'-Methylenebis(6-tert-butyl-p-cresol)-ME3661288398-703-
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME366129677C040391050-
2-hydroxyadipate2-Hydroxyadipic acidME366130193530C023603000-
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME366131--1258-
2-hydroxyheptanoate2-Hydroxy enanthoic acidME3661322750949-925-
2-hydroxyhippurate (salicylurate)Salicyluric acidME36613310253C075881123.9-
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME36613411970C05852858.6-
2-isopropylmalate2-Isopropylmalic acidME36613577C025042605-
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME366136161227C002041900-
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME36613710964471-1660-
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME366138--2204-
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME3661391662C037612850-
3-hydroxyadipate3-Hydroxy-adipic acidME366140151913-3131-
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME366141441C010891444-
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME36614287C060011619-
3-hydroxysebacate3-Hydroxysebacic acidME3661433017884-2411-
3-methyladipate3-Methyladipic acidME36614412292-2865-
3-methylglutaconate3E-Methylglutaconic acidME3661451551553-2700-
3-sulfo-L-alanineCysteic acidME36614672886C005062890-
allantoinAllantoinME366147204C023501672-
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME36614899823-1052-
alpha-ketobutyrate3-Methyl pyruvic acidME36614958C00109940-
alpha-ketoglutaramate2-Keto-glutaramic acidME366150--1916-
alpha-ketoglutarate2-Oxoglutaric acidME36615151C000262700-
arabinoseArabinoseME36615266308C002161804.5-
arabitol/xylitolArabitolME3661536912C019041932.4-
arabonate/xylonateArabinonic acid/Xylonic acidME366154--2700-
dihydroorotate4,5-Dihydroorotic acidME366155648C003371910-
erythritolErythritolME366156222285C005031491-
erythronateErythronic acidME3661572781043-2186-
ethylmalonateEthylmalonic acidME36615811756-2785-
Fibrinopeptide B (1-9)-ME366159--4416-
fructoseFructoseME3661605984C000952065-
fumarateFumaric acidME366161444972C001223084-
galactonateGalactonic acidME366162128869C008803085-
gentisateGentisic acidME3661633469C00628905-
gluconateGluconic acidME36616410690C002572922-
glucoseGlucoseME36616579025C000312342-
glucuronateGlucuronic acidME366166444791C001913233.3-
glutarate (C5-DC)Glutaric acidME366167743C004892900-
glycerateGlyceric acidME366168752C002582070.4-
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME366169439964C032742430-
gulonateGulonic acidME3661709794176C002572750-
heptenedioate (C7:1-DC)-ME366171--2816-
homocitrullineHomocitrullineME36617265072C024273006.8-
hydantoin-5-propionateHydantoin-5-propionic acidME366173782C055652080-
lactateLactic acidME366174612C001861468.8-
maleateMaleic acidME366175444266C013842640-
maltoseMaltoseME36617610991489C002083329.4-
mannitol/sorbitolSorbitolME3661775780C007942320-
mannonateMannonic acidME3661783246006-2736-
mannoseMannoseME36617918950C001592200-
methylmalonate (MMA)Methylmalonic acidME366180487C021703078.4-
methylsuccinateMethylsuccinic acidME36618110349-2800-
myo-inositolMyo-inositolME366182892C001373506.3-
N-acetylalanineN-AcetylalanineME36618388064C028471564.8-
N-acetylserineN-AcetylserineME36618465249-2000-
orotateOrotic acidME366185967C002951638.1-
orotidineOrotidineME36618692751-2250-
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME36618774483C18142662-
phenylpyruvatePhenylpyruvic acidME366188997C00166845-
pimelate (C7-DC)Pimelic acidME366189385C026562745-
pyruvatePyruvic acidME3661901060C000221083-
quinateQuinic acidME3661916508C002962432.9-
ribitolRibitolME3661926912C004741789.6-
ribonateRibonic acidME3661935460677C016852425-
riboseRiboseME3661945779C001211508.2-
ribulonate/xylulonate-ME366195--2350-
salicylateSalicylic acidME366196338C00805802-
sebacate (C10-DC)Sebacic acidME3661975192C082772147-
suberate (C8-DC)Suberic acidME36619810457C082782577.6-
succinateSuccinic acidME3661991110C000423149-
succinimideSuccinimideME36620011439C072732155-
threonateThreonic acidME366201151152C016202384-
uracilUracilME3662021174C001061089.7-
xanthineXanthineME3662031188C003852023-
xyloseXyloseME366204135191C001811727-


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