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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 acidME73422375810C05828--
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME7342686451814NA--
1-methylguanidineMethylguanidineME73421010111C02294--
1-methylnicotinamide1-Methyl nicotinamideME734134457C02918--
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME734247440569C05131--
2-aminobutyrate2-Aminobutyric acidME73418780283C02356--
2-aminoheptanoate2-Aminoheptanoic acidME734278227939NA--
2-hydroxyglutarate2-Hydroxyglutaric acidME73425543C02630--
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME7342386426901NA--
2-methylmalonylcarnitine (C4-DC)CAR DC3:0;2MeME73424253481628NA--
2-methylserine2-MethylserineME73428894309C02115--
2'-O-methylcytidine2'-O-MethylcytidineME734292150971NA--
2-oxoarginine*2-OxoarginineME734267558C03771--
3-amino-2-piperidone3-Amino-2-piperidoneME7343015200225NA--
3-aminoisobutyrate3-Aminoisobutanoic acidME73418664956C05145--
3-hydroxybutyroylglycine**-ME734297-NA--
3-hydroxyhexanoylcarnitine (1)CAR 6:0;3OHME734309-NA--
3-hydroxyoctanoylcarnitine (1)CAR 8:0;3OHME734316-NA--
3-hydroxyoctanoylcarnitine (2)CAR 8:0;3OHME734317-NA--
3-methoxytyrosine3-MethoxytyrosineME7341999307NA--
3-methylcytidine3-MethylcytidineME73423614237477NA--
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME734281128145NA--
3-phosphoglycerate3-Phosphoglyceric acidME734135724C00597--
3-ureidopropionateUreidopropionic acidME734185111C02642--
4-guanidinobutanoate4-Guanidinobutanoic acidME734203500C01035--
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME734264439902C03079--
4-hydroxyphenylacetoylcarnitine-ME734286-NA--
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME73426166995551NA--
5-hydroxylysine5-HydroxylysineME7342023032849C16741--
5-methylthioadenosine (MTA)5'-MethylthioadenosineME734140439176C00170--
5-methylthioribose**5-MethylthioriboseME7342566419710NA--
7-methylguanine7-MethylguanineME734235135398679C02242--
acetoacetateAcetoacetic acidME73419196C00164--
acetylcarnitine (C2)CAR 2:0ME7342127045767C02571--
adenineAdenineME734177190C00147--
adenosine 5'-monophosphate (AMP)AMPME7341396083C00020--
adipoylcarnitine (C6-DC)CAR DC5:0ME73428571296139NA--
alanineAlanineME7341765950C00041--
anthranilate2-Aminobenzoic acidME734197227C00108--
argininate*Argininic acidME734266160437NA--
arginineArginineME7341416322C00062--
asparagineAsparagineME7341796267C00152--
aspartateAspartic acidME7341425960C00049--
beta-alaninebeta-AlanineME734143239C00099--
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME734241-NA--
betaineBetaineME734173247C00719--
butyrylcarnitine (C4)CAR 4:0ME734218439829C02862--
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME7342702572NA--
carnitineCarnitineME734200288C00487,C00308--
carnosineCarnosineME734144439224C00386--
cholineCholineME734196305C00114--
choline phosphateCholine phosphateME7341451014C00588--
citramalateCitramalic acidME7342161081C00815--
citrullineCitrullineME7341549750C00327--
creatineCreatineME734192586C00300--
creatinineCreatinineME734146588C00791--
cyclo(gly-pro)Cyclo(Gly-Pro)ME734252193540NA--
cyclo(leu-pro)Cyclo(-Leu-Pro)ME7342517074739NA--
cys-gly, oxidizedCYS-GLY, oxidizedME734193333293NA--
cystathionineCystathionineME734149439258C02291--
cysteineCysteineME7341745862C00097--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME7342343080690R00900--
cysteine s-sulfateCysteine-S-sulfateME734213115015C05824--
cysteine sulfinic acid3-Sulfino-alanineME734257109C00606--
cysteinylglycineCys-GlyME734147439498C01419--
cysteinylglycine disulfide*Cysteinylglycine disulfideME73426222833544NA--
cystineCystineME73414867678C00491--
cytosineCytosineME734178597C00380--
deoxycarnitine3-DehydroxycarnitineME73424622620C01181--
dimethylarginine (SDMA + ADMA)DimethylarginineME734249-C21189,C03626--
dimethylglycineDimethylglycineME734175673C03626--
formiminoglutamateFormiminoglutamic acidME734263439233C00439--
fructosyllysineFructosyllysineME7342809839580NA--
gamma-carboxyglutamategamma-Carboxy-glutamic acidME73426540772NA--
gamma-glutamylalaninegamma-GlutamylalanineME734250440103C03738--
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME73429365254NA--
gamma-glutamylcitrulline*-ME734300-NA--
gamma-glutamylglutamategamma-Glutamylglutamic acidME73415092865C05282--
gamma-glutamylglutaminegamma-GlutamylglutamineME734188150914C05283--
gamma-glutamylglycinegamma-GlutamylglycineME734226100099NA--
gamma-glutamylhistidinegamma-GlutamylhistidineME7341947017195NA--
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME73423722885096NA--
gamma-glutamylleucinegamma-GlutamylleucineME734198151023NA--
gamma-glutamylmethioninegamma-GlutamylmethionineME7342287009567NA--
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME734209111299NA--
gamma-glutamylthreoninegamma-GlutamylthreonineME73422976078708NA--
glutamateGlutamic acidME73416833032C00025,C00217--
glutamineGlutamineME7341695961C00064--
glutamine_degradant*-ME734239-NA--
glutarylcarnitine (C5-DC)CAR DC5:0ME73424071317118NA--
glycerol 3-phosphatesn-Glycero-3-phosphateME734204754C0093--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME734245123874C01233--
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME73420771920C00670--
glycineGlycineME734151750C00037--
guanidinosuccinateGuanidinosuccinic acidME734224439918C03139--
hexanoylcarnitine (C6)CAR 6:0ME7342116426853NA--
homoarginineHomoarginineME7342149085C01924--
homocitrullineHomocitrullineME73421565072C02427--
hydroxyasparagine**HydroxyasparagineME73429615991574C20631--
hydroxy-N6,N6,N6-trimethyllysine*-ME734311-NA--
imidazole lactateImidazolelactic acidME734205793C05568--
imidazole propionateImidazole propanoateME73427370630NA--
indoleacetoylcarnitine*-ME734304-NA--
inosine 5'-monophosphate (IMP)IMPME7341528582C00130--
isobutyrylcarnitine (C4)CAR 3:0;2MeME734219168379NA--
isoleucineIsoleucineME7341536306C06418,C00407,C16424--
isoleucylhydroxyproline*IsoleucylhydroxyprolineME73431361158802NA--
isovalerylcarnitine (C5)CAR 4:0;3MeME734230169235C20826--
kynurenineKynurenineME734206161166C00328--
lanthionineLanthionineME73427598504NA--
leucineLeucineME7341556106C00123--
leucylalanineLeu-AlaME73426981721NA--
leucylhydroxyproline*-ME73431220847829NA--
lysineLysineME7341565962C00739,C00047--
methionineMethionineME7341576137C00073--
methionine sulfoneMethionine sulfoneME73427969961NA--
methionine sulfoxideMethionine sulfoxideME734201158980C02989--
methylsuccinoylcarnitine-ME734290-NA--
N1-methyladenosine1-MethyladenosineME73419527476C02494--
N1-methylinosine1-MethylinosineME734231650095NA--
(N(1) + N(8))-acetylspermidineAsparagineME734295-C01029,C00612--
N2-acetyl,N6-methyllysineN2-Acetyl,N6-methyllysineME734308-NA--
N2-acetyl,N6,N6-dimethyllysineN2-Acetyl,N6,N6-dimethyllysineME734307-NA--
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME734232135501639NA--
N4-acetylcytidineN4-AcetylcytidineME734233107461NA--
N6-methyllysineN(6)-MethyllysineME734272164795C02728--
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME734303193344C05545--
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME734137440120C03793--
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME73427753859791NA--
N-acetyl-2-aminoadipate-ME734315443992C12986--
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME734259193270NA--
N-acetylarginineN-AcetylarginineME73422567427C02562--
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME734244188803C12270--
N-acetyl-cadaverineN-AcetylcadaverineME73426010374713NA--
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME734284-C01074--
N-acetylglucosaminylasparagineAspartylglycosamineME734190123826C04540--
N-acetylglutamateN-Acetylglutamic acidME73420870914C00624--
N-acetylglycineN-AcetylglycineME73421710972NA--
N-acetylhomocitrulline-ME734306-NA--
N-acetyl-isoputreanineN-AcetylisoputreanineME734305131802901NA--
N-acetylneuraminateN-Acetylneuraminic acidME734189439197C00270--
N-acetylputrescineN-AcetylputrescineME734138122356C02714--
N-carbamoylalanineN-CarbamoylalanineME734283426409NA--
nicotinamideNiacinamideME734158936C00153--
nicotinamide ribosideNicotinamide ribosideME734227439924C03150--
N-methylhydroxyproline**N-Methyl-4-hydroxyprolineME7342989860390NA--
N-methylprolineN-Methyl-prolineME734254643474NA--
N,N-dimethyl-5-aminovalerateN,N-Dimethyl-5-aminovaleric acidME734310-NA--
N,N-dimethylalanineN,N-DimethylalanineME7343025488191NA--
N,N-dimethyl-pro-pro-ME734318-NA--
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME73429414274897NA--
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME734299-NA--
ornithineOrnithineME7341596262C00077--
oxindolylalanineOxyindolylalanineME73431920977764NA--
phenylacetylcarnitine-ME734282101724840NA--
phenylalaninePhenylalanineME7341606140C00079--
phosphatePhosphoric acidME7341611061C00009--
phosphoethanolaminePhosphoethanolamineME7341841015C00346--
picolinatePicolinic acidME7341811018C10164--
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME734291-NA--
pipecolatePipecolic acidME734183-NA--
pro-hydroxy-proPro-hydroxyProME73422211902893NA--
prolylglycinePro-GlyME7342746426709NA--
propionylcarnitine (C3)CAR 3:0ME734221107738C03017--
quinolinateQuinolinic acidME7341361066C03722--
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME73427653481617NA--
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME73413211966181C04322--
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME73428971464477NA--
sarcosineSarcosineME7341821088C00213--
S-carboxyethylcysteine-ME734314-NA--
serineSerineME7341625951C00065--
serotoninSerotoninME7341635202C00780--
S-methylmethionineS-MethylmethionineME734258458C05319--
spermidineSpermidineME7341331102C00315--
spermineSpermineME7341641103C00750--
suberoylcarnitine (C8-DC)CAR DC8:0ME734287-NA--
succinylcarnitine (C4-DC)CAR DC4:0ME73425371464481NA--
taurineTaurineME7341651123C00245--
threonineThreonineME7341706288C00188--
tiglylcarnitine (C5:1-DC)CAR DC5:1ME73424322833596NA--
trans-4-hydroxyprolinetrans-4-HydroxyprolineME7341805810C01157--
trans-urocanateUrocanic acidME734167736715C00785--
trigonelline (N'-methylnicotinate)TrigonellineME7342205570C01004--
trimethylamine N-oxideTrimethylamine N-oxideME7342711145C01104--
tryptophanTryptophanME7341716305C00078--
tryptophan betaineLenticinME734248442106C09213--
ureaUreaME7341661176C00086--
valineValineME7341726287C00183--
X-11795-ME734320-NA--
X-12100-ME734321-NA--
X-12101-ME734322-NA--
X-12112-ME734323-NA--
X-12117-ME734324-NA--
X-12125-ME734325-NA--
X-12127-ME734326-NA--
X-12283-ME734327-NA--
X-12462-ME734328-NA--
X-12680-ME734329-NA--
X-12689-ME734330-NA--
X-12798-ME734331-NA--
X-13507-ME734332-NA--
X-13684-ME734333-NA--
X-14056-ME734334-NA--
X-15461-ME734335-NA--
X-16397-ME734336-NA--
X-16580-ME734337-NA--
X-17304-ME734338-NA--
X-17306-ME734339-NA--
X-22162-ME734340-NA--
X-23587-ME734341-NA--
X-23593-ME734342-NA--
X-23636-ME734343-NA--
X-23639-ME734344-NA--
X-23644-ME734345-NA--
X-23648-ME734346-NA--
X-23654-ME734347-NA--
X-23655-ME734348-NA--
X-23659-ME734349-NA--
X-23662-ME734350-NA--
X-23665-ME734351-NA--
X-23666-ME734352-NA--
X-23739-ME734353-NA--
X-23780-ME734354-NA--
X-23997-ME734355-NA--
X-24411-ME734356-NA--
X-24431-ME734357-NA--
X-24456-ME734358-NA--
X-24475-ME734359-NA--
X-24518-ME734360-NA--
X-24531-ME734361-NA--
X-24736-ME734362-NA--
X-24812-ME734363-NA--
X-24970-ME734364-NA--
X-25109-ME734365-NA--
X-25172-ME734366-NA--
X-25217-ME734367-NA--
X-25265-ME734368-NA--
X-25267-ME734369-NA--
X-25271-ME734370-NA--
X-25343-ME734371-NA--
X-25417-ME734372-NA--
X-25419-ME734373-NA--
X-25420-ME734374-NA--
X-25422-ME734375-NA--
X-25519-ME734376-NA--
X-25520-ME734377-NA--
X-25656-ME734378-NA--
X-25790-ME734379-NA--
X-25810-ME734380-NA--
X-25855-ME734381-NA--
X-25957-ME734382-NA--
X-26058-ME734383-NA--
X-26097-ME734384-NA--


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-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME734458-NA--
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME734501-NA--
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME73449752925126NA--
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME73450024779386NA--
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME73450952925127NA--
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME73449934779384NA--
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME73449852925128NA--
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME73451452923882NA--
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME73451511146967NA--
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME73444710917802NA--
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME734450-NA--
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME7344969547058NA--
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME734521-NA--
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME73447842607457NA--
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME734451-NA--
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME7344735288075NA--
1,2-dilinoleoyl-GPE (18:2/18:2)*PE 18:2/18:2ME7345199546812NA--
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME734406452110D03585--
1,2-dipalmitoyl-GPE (16:0/16:0)*PE 16:0/16:0ME734517445468NA--
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME73442524779476C05208--
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME73442942607465NA--
1-cerotoyl-GPC (26:0)*LPC 26:0/0:0ME734555-NA--
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME73444624779481NA--
1-linolenoyl-GPC (18:3)*LPC 18:3ME734457-C04100--
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME73451224778979C05208--
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME73453052922731NA--
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME73442111988421C04100--
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME73442852925130NA--
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME73451324778634NA--
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME734407129657NA--
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME734520348281223NA--
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME73451124778955NA--
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME7345109546753NA--
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME73441716081932C03916--
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME7344279547071NA--
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1_18:3ME73453152922452NA--
1-palmitoleoyl-GPC (16:1)*LPC 16:1/0:0ME73442424779461NA--
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME73447510747814C05208--
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME7344909546800C05210--
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME734493-NA--
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...-ME734489-NA--
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME7344766441886NA--
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME7344919546799NA--
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME7343995287971NA--
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME7344329546747NA--
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME7344016436017C13875--
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME7343985283496NA--
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME73450871296232NA--
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME7344886443788NA--
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME73448024778686C03889--
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*PE 16:0/18:0ME7345185326793NA--
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME73441386554C04102--
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME7344269547069NA--
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME73443116219824NA--
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME7344865289133C05210--
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME734403-NA--
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0/20:4ME73443324779545NA--
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME73447724778876NA--
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME7344929546798NA--
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME7344876441487NA--
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME7344859546749NA--
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME734494-NA--
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME73447424778825NA--
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME7344309546742NA--
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME734516-NA--
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME7344059547087NA--
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME734416497300NA--
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME7344229547068NA--
3-decenoylcarnitineCAR 10:1ME734587-NA--
3-hydroxydecanoylcarnitineCAR 10:0;3OHME734588121454166NA--
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME734583129637446NA--
4-cholesten-3-oneCholestenoneME73444191477C00599--
4-oxo-retinoic acid-ME7344456437063NA--
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME73458291825571NA--
7-dehydrocholesterol7-DehydrocholesterolME734386439423C01164--
adrenoylcarnitine (C22:4)*CAR 22:4ME734576-NA--
alpha-tocopherolalpha-TocopherolME73439486472C02477--
arachidonoylcarnitine (C20:4)CAR 20:4ME734570136212424NA--
arachidonoylcholineArachidonoylcholineME734525122198216NA--
arachidonoyl ethanolamideArachidonoyl-EAME7343955281969C11695--
arachidoylcarnitine (C20)*CAR 20:0ME73456653477833NA--
behenoylcarnitine (C22)*CAR 22:0ME73456571464577NA--
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME73450344260132NA--
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME73446744260125NA--
beta-cryptoxanthinCryptoxanthinME7344385281235C08591--
beta-sitosterolSitosterolME734409222284C01753--
bilirubin (E,E)*BilirubinME734436129320511NA--
bilirubin (E,Z or Z,E)*BilirubinME7344375799469C00486--
bilirubin (Z,Z)BilirubinME7343935280352C00486--
biliverdinBiliverdinME7343855280353C00500--
campesterolCampesterolME734414173183C01789--
carotene diol (1)Carotene diolME734579-NA--
carotene diol (2)Carotene diolME734580-NA--
carotene diol (3)Carotene diolME734581-NA--
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME734549-NA--
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME734550-NA--
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME734551-NA--
cerotoylcarnitine (C26)*CAR 26:0ME73456853477828NA--
cholesterolCholesterolME734387-C00187--
cis-3,4-methyleneheptanoylcarnitine-ME734590-NA--
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME73444357357170NA--
decanoylcarnitine (C10)CAR 10:0ME73441210245190NA--
delta-tocopheroldelta-TocopherolME73441092094C14151--
deoxycholateDeoxycholic acidME734389-C04483--
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME734539-NA--
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME734573-NA--
dihomo-linolenoyl-choline-ME734528-NA--
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME734572-NA--
docosahexaenoylcarnitine (C22:6)*CAR 22:6ME734574-NA--
docosahexaenoylcholine-ME734526-NA--
docosapentaenoylcarnitine (C22:5n3)*CAR 22:5ME73457771464594NA--
eicosapentaenoylcholine-ME734529-NA--
eicosenoylcarnitine (C20:1)*CAR 20:1ME734571-NA--
gamma-tocopherol/beta-tocopherolbeta-tocopherolME734495-C14152,C02483--
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME734578-NA--
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME734552-NA--
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME734523-NA--
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME734435-NA--
hemeHemeME73441826945C00032--
hexadecasphingosine (d16:1)*C16 SphingosineME73454714767871NA--
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**-ME734585-NA--
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME73454444260143NA--
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME734543-NA--
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME73450653477895NA--
laurylcarnitine (C12)CAR 12:0ME734420168381NA--
lignoceroylcarnitine (C24)*CAR 24:0ME734567-NA--
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME734470-NA--
linolenoylcarnitine (C18:3)*CAR 18:3ME734564-NA--
linoleoylcarnitine (C18:2)*CAR 18:2ME7344526450015NA--
linoleoylcholine*alpha-LinoleoylcholineME73455453481656NA--
L-urobilinL-UrobilinME7344445280818C05793--
margaroylcarnitine (C17)*CAR 17:0ME73445353477803NA--
myristoleoylcarnitine (C14:1)*CAR 14:1ME734463129691961NA--
myristoylcarnitine (C14)CAR 14:0ME7344156426854NA--
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME73450744260138NA--
nervonoylcarnitine (C24:1)*CAR 24:1ME734575-NA--
nonanoylcarnitine (C9)CAR 9:0ME73447291825642NA--
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*-ME734548-NA--
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME734542-NA--
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME7345055283572NA--
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME7343975283564NA--
N-stearoyl-sphingadienine (d18:2/18:0)*Cer 18:2;O2/18:0ME734545132282053NA--
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME7343925283573NA--
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME7344025283565NA--
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME734462-NA--
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME734461-NA--
octanoylcarnitine (C8)CAR 8:0ME734411-C02838--
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*DG 18:1_20:4ME7345379543786NA--
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME7345389543786NA--
oleoylcarnitine (C18:1)CAR 18:1ME7344236441392NA--
oleoylcholineOleoylcholineME73452459040790NA--
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME73444814275396NA--
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME73444971433693NA--
palmitoleoylcarnitine (C16:1)*CAR 16:1ME73453271464547NA--
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME7345369543699NA--
palmitoloelycholine-ME734527-NA--
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*DG 16:0_20:4ME7345359543736NA--
palmitoylcarnitine (C16)CAR 16:0ME734408461C02990--
palmitoylcholinePalmitoylcholineME734522151731NA--
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME7344819939965NA--
palmitoyl ethanolamidePalmitoyl-EAME7343964671C16512--
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*DG 16:0_18:1ME7345335282283C13861--
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME7345345282283C13861--
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME7344409939941NA--
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...EPC 18:1;O2/16:0ME734589-NA--
retinalRetinalME734454638015C00376--
retinol (Vitamin A)RetinolME734391445354C00473--
sphingadienineSphingadienineME7345466449795NA--
sphinganineSphinganineME7343903126C00836--
sphinganine-1-phosphateSphinganine 1-phosphateME734434520NA--
sphingomyelin (d17:1/14:0, d16:1/15:0)*SM 31:1;O2ME734584-NA--
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...SM 33:1;O2ME734471-NA--
sphingomyelin (d17:2/16:0, d18:2/15:0)*SM 33:2;O2ME734563-NA--
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME73450444260130NA--
sphingomyelin (d18:0/20:0, d16:0/22:0)*SM 38:0;O2ME734556-NA--
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME73445511433862NA--
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME73447946891763NA--
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME7344396443882NA--
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME734557-NA--
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME73446444260124NA--
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME734465-NA--
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...-ME734466-NA--
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME734502-NA--
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME734468-NA--
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME734469-NA--
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME73446044260126NA--
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME734562-NA--
sphingomyelin (d18:2/14:0, d18:1/14:1)*SM 32:2;O2ME734459-NA--
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME734456-NA--
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME73455852931155NA--
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME734560-NA--
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME734483134757653NA--
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME734561-NA--
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME73448485336023NA--
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME734559-NA--
sphingosineSphingosineME7343885280335C00319--
sphingosine 1-phosphateSphingosine 1-phosphateME7344045283560C06124--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*DG 18:0_20:4ME7345406438587C00165--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*DG 18:0_20:4ME7345416438587NA--
stearoylcarnitine (C18)CAR 18:0ME7344193006797NA--
stearoylcholine*StearoylcholineME73455390111NA--
stearoyl ethanolamideStearoyl-EAME73444227902NA--
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME7344006453725C00550--
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME734482-NA--
undecenoylcarnitine (C11:1)CAR 11:1ME734586-NA--
X-13431-ME734591-NA--
X-17162-ME734592-NA--
X-17335-ME734593-NA--
X-23641-ME734594-NA--
X-23678-ME734595-NA--
X-23680-ME734596-NA--
X-23767-ME734597-NA--
X-23782-ME734598-NA--
X-25991-ME734599-NA--
X-26106-ME734600-NA--
X-26107-ME734601-NA--
X-26108-ME734602-NA--
ximenoylcarnitine (C26:1)*CAR 26:1ME734569-NA--


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 acidME7347405312435NA--
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME7347395312513NA--
10-undecenoate (11:1n1)10-Hendecenoic acidME73472914891C13910--
11beta-hydroxyandrosterone glucuronide-ME734938-NA--
11beta-hydroxyetiocholanolone glucuronide*-ME734939-NA--
11-ketoetiocholanolone glucuronide-ME734851-NA--
12,13-DiHOME12,13-DiHOMEME73460310236635C14829--
(12 or 13)-methylmyristate (a15:0 or i15:0)Isopentadecylic acidME734814151014NA--
13-HODE + 9-HODEHODEME734812-C14767,C14762--
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME734823-C16995--
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME73469064960C07326--
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME73480820848950NA--
16-hydroxypalmitateJuniperic acidME73482610466C18218--
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME7348153083779NA--
17alpha-hydroxypregnanolone glucuronide-ME734853-NA--
1-arachidonoyl-GPI (20:4)*LPI 20:4/0:0ME734774121596217NA--
1-arachidonylglycerol (20:4)MG 20:4ME734752-C13857--
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME734861-NA--
1-docosahexaenoylglycerol (22:6)MG 22:6ME73476053480995NA--
1-linolenoylglycerol (18:3)MG 18:3ME73475353480978NA--
1-linoleoylglycerol (18:2)MG 18:2ME7347075283469NA--
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME734886-NA--
1-linoleoyl-GPI (18:2)*LPI 18:2/0:0ME73478411124828NA--
1-methyl-5-imidazolelactate-ME734956-NA--
1-methylhistidine1-MethylhistidineME73470892105C01152--
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME7347015283468NA--
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME73478386289645NA--
1-palmitoleoylglycerol (16:1)*MG 16:1ME734883-NA--
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME73477571296207NA--
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME734757-NA--
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME734692-NA--
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME73484474819135NA--
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME734792134595NA--
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME734893301941NA--
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME734947-NA--
2-aminooctanoate2-Aminocaprylic acidME73484269522NA--
2-arachidonoylglycerol (20:4)MG 20:4ME7346915282280C13856--
2-butenoylglycine2-ButenoylglycineME7349036303498NA--
2'-deoxyuridineDeoxyuridineME73463613712C00526--
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME734763164623NA--
2-hydroxyarachidate*2-Hydroxyeicosanoic acidME7349075225199NA--
2-hydroxybehenate2-Hydroxy behenic acidME734896193484NA--
2-hydroxydecanoate2-Hydroxycapric acidME73484021488NA--
2-hydroxylaurate2-Hydroxylauric acidME73488297783NA--
2-hydroxymyristate2-Hydroxymyristic acidME7347241563C13790--
2-hydroxyoctanoate2-Hydroxyoctanoic acidME734696-NA--
2-hydroxypalmitate2-Hydroxypalmitic acidME734766-NA--
2-hydroxysebacate2-Hydroxy-decanedioic acidME734931128458NA--
2-hydroxystearate2-Hydroxystearic acidME734671-C03042,C03045--
2-ketocaprylate2-Keto-octanoic acidME73494667600NA--
2-linoleoylglycerol (18:2)MG 18:2ME7347045365676NA--
2-methylbutyrylglycine2-MethylbutyrylglycineME734721193872NA--
2-methylcitrate/homocitrateHomocitric acidME734878-C01251--
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME7347035319879NA--
2-O-methylascorbic acid2-O-Methylascorbic acidME73483254726398NA--
2'-O-methyluridine2'-O-MethyluridineME734894102212NA--
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME734957-NA--
2-palmitoyl-GPC (16:0)*LPC 0:0/16:0ME73476415061532NA--
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME734837-NA--
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME734751171198NA--
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME7346199378C03672--
3beta-hydroxy-5-cholestenoateCholestenoic acidME734870165511C17333--
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME73484192997NA--
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME734918194501NA--
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME734723123979NA--
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME734722188979NA--
3-hydroxydecanoate3-Hydroxydecanoic acidME73470526612NA--
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME73475616663321NA--
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME734869151492NA--
3-hydroxylaurate3-Hydroxydodecanoic acidME73471494216NA--
3-hydroxyoctanoate3-Hydroxyoctanoic acidME73469726613C20793--
3-hydroxyphenylacetoylglutamine-ME734905-NA--
3-hydroxysebacate3-Hydroxysebacic acidME7347173017884NA--
3-hydroxystearate3-Hydroxystearic acidME7348815282907NA--
3-indoxyl sulfateIndoxyl sulfateME73468810258NA--
3-methoxytyramine sulfate3-Methoxytyramine sulfateME73485054133459NA--
3-methyl-2-oxobutyrateKetoisovaleric acidME73470249C00141--
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME734684-C03465,C06008,C00671--
3-methylhistidine3-MethylhistidineME73468564969C01152--
4-acetamidobutanoate4-Acetamidobutanoic acidME73466018189C02946--
4-hydroxynonenal4-HydroxynonenalME7346075283344C21642--
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME734608127C00642--
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME734667979C01179--
4-methoxyphenol sulfate4-Methoxyphenol sulfateME734866-NA--
4-methyl-2-oxopentanoateKetoleucineME73468970C00233--
4-methylhexanoylglutamine-ME734942-NA--
5,6-dihydrothymineDihydrothymineME73460993556C00906--
5,6-dihydrouracilDihydrouracilME734663649C00429--
5,6-dihydrouridine5,6-DihydrouridineME73475094312NA--
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME73479656639109NA--
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME734797-NA--
5alpha-androstan-3alpha,17beta-diol monosulfate (2...-ME734857121596225NA--
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME73479856639109NA--
5alpha-androstan-3beta,17beta-diol disulfate-ME73478590186325C12525--
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME734799-NA--
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME734786118703093NA--
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME734794-NA--
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME734793-NA--
5alpha-pregnan-3beta-ol,20-one sulfate-ME734804-NA--
5alpha-pregnan-diol disulfate-ME734795-NA--
5-dodecenoate (12:1n7)5-Dodecenoic acidME7347335312378NA--
5-hydroxyhexanoate5-Hydroxycaproic acidME734718170748NA--
5-hydroxyindole glucuronide-ME734937-NA--
5-hydroxyindole sulfate-ME734884-NA--
5-methyluridine (ribothymidine)RibothymidineME734754445408NA--
5-oxoprolinePyroglutamic acidME734650-C02237,C01879--
6-bromotryptophan6-BromotryptophanME7349329856996NA--
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME7348453014237NA--
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME7347693081085C17337--
8-methoxykynurenate-ME73493076230C05830--
9,10-DiHOME9,10-DiHOMEME7346119966640C14828--
9-hydroxystearate9-Hydroxy stearic acidME7348559570127NA--
acisogaAcisogaME734847129397NA--
aconitate [cis or trans]cis-Aconitic acidME734746-C004174,C02341--
adenosineAdenosineME73463760961C00212--
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME7346166076C00575--
adrenate (22:4n6)Adrenic acidME734727-C16527--
alpha-CEHC glucuronide*-ME734827134819285NA--
alpha-CEHC sulfatealpha-CEHC sulfateME734856-NA--
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME734694-C03264--
androstenediol (3alpha, 17alpha) monosulfate (2)-ME734800-NA--
androstenediol (3alpha, 17alpha) monosulfate (3)-ME734801-NA--
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME73478987120982C04295--
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME73479187120982NA--
androstenediol (3beta,17beta) monosulfate (1)-ME734802-NA--
androstenediol (3beta,17beta) monosulfate (2)-ME734803-NA--
andro steroid monosulfate C19H28O6S (1)*-ME734810159663NA--
androsterone glucuronideAndrosterone 3-glucuronideME734819114833C11135--
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME734710159663NA--
arachidate (20:0)Arachidic acidME73464510467C06425--
arachidonate (20:4n6)Arachidonic acidME734618444899C00219--
azelate (C9-DC)Azelaic acidME7346792266C08261--
beta-citrylglutamateBeta-Citryl-glutamic acidME734833189741C20775--
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME73467369362NA--
bilirubin degradation product, C16H18N2O5 (1)**-ME734965-NA--
bilirubin degradation product, C16H18N2O5 (2)**-ME734966-NA--
bilirubin degradation product, C16H18N2O5 (3)**-ME734973-NA--
bilirubin degradation product, C16H18N2O5 (4)**-ME734974-NA--
bilirubin degradation product, C17H18N2O4 (1)**-ME734967-NA--
bilirubin degradation product, C17H18N2O4 (2)**-ME734968-NA--
bilirubin degradation product, C17H18N2O4 (3)**-ME734969-NA--
bilirubin degradation product, C17H20N2O5 (1)**-ME734970-NA--
bilirubin degradation product, C17H20N2O5 (2)**-ME734971-NA--
branched chain 14:0 dicarboxylic acid**-ME734955-NA--
branched-chain, straight-chain, or cyclopropyl 10:...Decenoic acidME734958-NA--
branched-chain, straight-chain, or cyclopropyl 10:...-ME734959-NA--
branched-chain, straight-chain, or cyclopropyl 12:...-ME734960-NA--
butyrate/isobutyrate (4:0)Butyric acidME734668264C00246--
butyrylglycineN-ButyrylglycineME73472088412NA--
caprate (10:0)Capric acidME7346422969C01571--
caproate (6:0)Caproic acidME7346478892C01585--
caprylate (8:0)Caprylic acidME734648379C06423--
catechol glucuronide-ME73489075124209NA--
C-glycosyltryptophanC-GlycosyltryptophanME73487210981970NA--
chenodeoxycholateChenodeoxycholic acidME73466110133C02528--
cholateCholic acidME734606221493C00695--
cholic acid glucuronideCholic acid glucuronideME73494021252309NA--
cis-3,4-methyleneheptanoate-ME734963-NA--
cis-3,4-methyleneheptanoylglycine-ME734964-NA--
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME7348205282726NA--
citrateCitric acidME734662311C00158--
corticosteroneCorticosteroneME7346215753C02140--
cortisolCortisolME7346255754C00735--
cortisoneCortisoneME734622222786C00762--
cortolone glucuronide (1)-ME734902-NA--
cytidineCytidineME7346416175C00475--
decadienedioic acid (C10:2-DC)**-ME73496117789717NA--
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME73469912594C04555--
delta-CEHC-ME73493335027084NA--
delta-CEHC glucuronide-ME734936-NA--
deoxycholic acid glucuronide-ME734941-NA--
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME7346706439848C16525--
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME7347825280581C03242--
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME7347265282807C16533--
docosadioate (C22-DC)Docosanedioic acidME7348257641C14240--
docosahexaenoate (DHA; 22:6n3)DHAME734693445580C06429--
docosapentaenoate (n3 DPA; 22:5n3)DPAME7347256441454C16513--
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME7347676441454C16513--
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME7347285312556C16534--
docosatrienoate (22:3n6)*10Z,13Z,16Z-Docosatrienoic acidME73489975955220NA--
dodecadienoate (12:2)*Dodecadienoic acidME73493425480NA--
dodecanedioate (C12-DC)Dodecanedioic acidME73471212736C02678--
dodecenedioate (C12:1-DC)*Traumatic acidME7349095283028NA--
dopamine 3-O-sulfateDopamine 3-O-sulfateME734868122136C13690--
dopamine 4-sulfateDopamine 4-sulfateME73486768517194C13691--
eicosanedioate (C20-DC)Eicosanedioic acidME73482475502NA--
eicosapentaenoate (EPA; 20:5n3)EPAME734680446284C06428--
eicosenedioate (C20:1-DC)*-ME734952-NA--
eicosenoate (20:1)cis-Gondoic acidME734744-C16526--
epiandrosterone sulfateEpiandrosteroneME7347429929317C04555--
erucate (22:1n9)cis-Erucic acidME734655-C08316--
estrone 3-sulfateEstrone 3-sulfateME7346693001028C02538--
etiocholanolone glucuronideAndrosterone 3-glucuronideME734852270605NA--
gamma-CEHCgamma-CEHCME734806133098NA--
gamma-CEHC glucuronide*-ME734843121596235NA--
gamma-CEHC sulfate-ME734935-NA--
gamma-glutamyltryptophangamma-GlutamyltryptophanME7347433989307NA--
gamma-glutamyltyrosinegamma-GlutamyltyrosineME73465794340NA--
gamma-glutamylvalinegamma-GlutamylvalineME7347167015683NA--
GlcNAc sulfate conjugate of C21H34O2 steroid**-ME734962-NA--
glucuronide of C10H18O2 (1)*-ME734917-NA--
glucuronide of C10H18O2 (7)*-ME734919-NA--
glucuronide of C10H18O2 (8)*-ME734920-NA--
glucuronide of C12H22O4 (1)*-ME734914-NA--
glucuronide of C12H22O4 (2)*-ME734915-NA--
glucuronide of C14H26O4 (1)*-ME734916-NA--
glutamine conjugate of C6H10O2 (1)*-ME734926-NA--
glutamine conjugate of C6H10O2 (2)*-ME734927-NA--
glutamine conjugate of C7H12O2*-ME734925-NA--
glycerolGlycerolME734672753C00116--
glycine conjugate of C10H12O2*-ME734923-NA--
glycine conjugate of C10H14O2 (1)*-ME734924-NA--
glyco-beta-muricholate**Gly-betaMCAME734922-NA--
glycochenodeoxycholateGlycochenodeoxycholic acidME73467512544C05466--
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME734873-NA--
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME73488944263370NA--
glycocholateGlycocholic acidME73462310140C01921--
glycocholate glucuronide (1)-ME73488844263357NA--
glycocholenate sulfate*Glycocholenate sulfateME734787-NA--
glycodeoxycholateGlycodeoxycholic acidME7346863035026C05464--
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME734874101602538NA--
glycohyocholateGlycohyocholic acidME73483971361462NA--
glycolithocholateGlycolithocholic acidME734709115245C15557--
glycolithocholate sulfate*Sulfoglycolithocholic acidME73477672222C11301--
glycoursodeoxycholateGlycoursodeoxycholic acidME73482112310288NA--
glycoursodeoxycholic acid sulfate (1)-ME734943-NA--
heneicosapentaenoate (21:5n3)6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acidME73490111998573NA--
heptanoate (7:0)Heptylic acidME7346468094C17714--
hexadecadienoate (16:2n6)7Z,10Z-Hexadecadienoic acidME73489113932172NA--
hexadecanedioate (C16-DC)Hexadecanedioic acidME73477110459C19615--
hexadecenedioate (C16:1-DC)*-ME734911-NA--
hexanoylglutamineHexanoylglutamineME734780-NA--
hexanoylglycineHexanoylglycineME73476299463NA--
histidineHistidineME7346246274C00135--
homovanillate (HVA)Homovanillic acidME7346051738C05582--
hydroxy-CMPF*-ME734904-NA--
hyocholateHyocholic acidME73474192805C17649--
hypoxanthineHypoxanthineME734610-C00262--
indole-3-carboxylateIndole-3-carboxylic acidME73481169867C19837--
indoleacetateIndoleacetic acidME734706802C00954--
indoleacetylglutamineIndoleacetyl glutamineME73477925200879NA--
indolebutyrate3-Indolebutyric acidME7347478617C11284--
indolelactateIndolelactic acidME73468792904C02043--
indolepropionate3-Indolepropionic acidME7347113744NA--
indolepropionylglycineIndolepropionylglycineME734892129691959NA--
indoxyl glucuronideInodxyl glucuronideME7348802733785NA--
inosineInosineME7346266021C00294--
isobutyrylglycineIsobutyrylglycineME73476810855600NA--
isoleucylglycineIle-GlyME734829342532NA--
isoursodeoxycholateIsoursodeoxycholic acidME734816127601C17662--
isovalerate (i5:0)Isovaleric acidME73469510430C08262--
isovalerylglycineIsovalerylglycineME734755546304NA--
I-urobilinogenMesobilirubinogenME7347319548718C05789--
kynurenateKynurenic acidME7346043845C01717--
lactateLactic acidME734633612C00186--
laurate (12:0)Lauric acidME7346133893C02679--
leucylglycineLeu-GlyME73483079070NA--
linoleate (18:2n6)Linoleic acidME7346125280450C01595--
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME734745-C06426,C06427--
linoleoyl ethanolamideLinoleoyl-EAME7348775283446NA--
lithocholate sulfate (1)Lithocholic acid sulfateME734944451489NA--
lithocholic acid sulfate (2)Lithocholic acid sulfateME734945-NA--
malateMalic acidME734627525C00149,C00711,C00497--
margarate (17:0)Margaric acidME73464310465NA--
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME7347595312531NA--
metabolonic lactone sulfate-ME734954-NA--
m-tyramine sulfate-ME734860-NA--
myristate (14:0)Myristic acidME73463411005C06424--
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME73475869698C05842--
N2,N5-diacetylornithineN2,N5-DiacetylornithineME73484965977NA--
N6-acetyllysineN6-AcetyllysineME73478192832C02727--
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME734748161466NA--
N6-methyladenosineN6-MethyladenosineME734617102175NA--
N6-succinyladenosineSuccinyladenosineME734778165243NA--
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME73492195555NA--
N-acetylalanineN-AcetylalanineME73465888064C02847--
N-acetyl-beta-alanineN-Acetyl-beta-alanineME73480776406C01073--
N-acetylcitrullineN-AcetylcitrullineME734765656979C15532,C02851--
N-acetylisoleucineN-AcetylisoleucineME734738306109NA--
N-acetylkynurenine (2)N-AcetylkynurenineME73487173817779NA--
N-acetylleucineN-AcetylleucineME73465270912C02710--
N-acetylmethionineN-AcetylmethionineME734653448580C02712--
N-acetylphenylalanineN-AcetylphenylalanineME73473674839C03519--
N-acetyltaurineN-AcetyltaurineME734854159864NA--
N-acetyltryptophanN-Acetyl-tryptophanME734735-C03137--
N-acetyltyrosineN-AcetyltyrosineME73471368310NA--
N-acetylvalineN-AcetylvalineME73465466789NA--
N-carbamoylvaline-ME734929448879NA--
N-delta-acetylornithineN(5)-Acetyl-ornithineME7348469920500C00437--
N-formylanthranilic acidFormylanthranilic acidME734848101399C05653--
N-formylmethionineN-FormylmethionineME734614439750C03145--
N-formylphenylalanineN-FormylphenylalanineME734858-NA--
nisinate (24:6n3)THAME73490011792612NA--
N-linoleoylglycineN-linoleoylglycineME7346746433346NA--
N-octanoylglycineCapryloylglycineME73483884290NA--
N-oleoylserineNA-Ser 18:1(9Z)ME73489844190514NA--
N-oleoyltaurineN-Oleoyl taurineME7348286437033NA--
nonadecanoate (19:0)Nonadecenoic acidME73464412591C16535--
nonenedioate (C9:1-DC)*-ME734910-NA--
N-palmitoylglycineN-Palmitoyl glycineME734836151008NA--
N-palmitoylserineN-Palmitoyl serineME7348976453686NA--
N-stearoylserine*N-Stearoyl serineME734908-NA--
N-stearoyltaurineN-Stearoyl taurineME734831168274NA--
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME734913-NA--
octadecanedioate (C18-DC)Octadecanedioic acidME73477270095NA--
octadecenedioate (C18:1-DC)-ME7349129543674NA--
oleate/vaccenate (18:1)Oleic acidME734879-C21944,C08367,C01712,C00712--
oleoyl ethanolamideOleoyl-EAME7346665283454NA--
oxalate (ethanedioate)Oxalic acidME734700971C00209--
palmitate (16:0)Palmitic acidME734628985C00249--
palmitoleate (16:1n7)Palmitoleic acidME734630445638C08362--
pantoate(R)-Pantoic acidME7348175289105C00522--
pantothenatePantothenic acidME7346516613C00864--
p-cresol glucuronide*P-Cresol glucuronideME734865154035NA--
pentadecanoate (15:0)Pentadecylic acidME73464913849C16537--
phenol glucuronidePhenyl glucuronideME73487687235NA--
phenol sulfatePhenyl hydrogen sulfateME73476174426C02180--
phenylacetatePhenyl acetateME734681999C07086--
phenylacetylglutamateN-Phenylacetylglutamic acidME73488511579826NA--
phenylacetylglutaminealpha-N-PhenylacetylglutamineME73474992258C04148--
phenylacetylglycinePhenylacetylglycineME73473768144C05598--
phenylacetylmethioninePhenylacetylmethionineME734887-NA--
phenylacetylthreonine-ME734895-NA--
phenyllactate (PLA)Phenyllactic acidME7346983848C05607--
phenylpyruvatePhenylpyruvic acidME734620997C00166--
picolinoylglycinePicolinoylglycineME73495311788622NA--
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME734834123796NA--
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME734864-C05480--
pregnenediol disulfate (C21H34O8S2)*-ME734790-NA--
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME734805105074C18044--
pregnenetriol disulfate*-ME734951-NA--
pregnenetriol sulfate*-ME734950129671303NA--
pregnenolone sulfatePregnenolone sulfateME734809105074C18044--
pristanatePristanic acidME734631123929NA--
prolineProlineME734632-C00148,C000763--
propionylglycinePropionylglycineME73471998681NA--
pseudouridinePseudouridineME73463915047C02067--
pyridoxate4-Pyridoxic acidME7347156723C00847--
pyruvatePyruvic acidME7346401060C00022--
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME734615439155C00021--
sebacate (C10-DC)Sebacic acidME7347305192C08277--
S-methylcysteineMethylcysteineME734818-NA--
stearate (18:0)Stearic acidME7346295281C01530--
stearidonate (18:4n3)Stearidonic acidME7347325312508C16300--
suberate (C8-DC)Suberic acidME73468310457C08278--
tauro-beta-muricholateTauro-beta-muricholic acidME734734-NA--
taurochenodeoxycholateTaurochenodeoxycholic acidME734676387316C05465--
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME73494852931550NA--
taurocholateTaurocholic acidME734677-C05122--
taurocholenate sulfate*Taurocholenate sulfateME734788-NA--
taurodeoxycholateTaurodeoxycholic acidME7346782733768C05463--
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME734875-NA--
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME734777440071C03642--
tauroursodeoxycholateTauroursodeoxycholic acidME7348229848818NA--
tetradecadienedioate (C14:2-DC)*-ME73494986018718NA--
tetradecadienoate (14:2)*Tetradecadienoic acidME7349285312409NA--
tetradecanedioate (C14-DC)Tetradecanedioic acidME73477013185NA--
tetrahydrocortisol glucuronide-ME734972-NA--
tetrahydrocortisone glucuronide (5)-ME734975-NA--
thyroxineThyroxineME7346565819C01829--
trans-2-hexenoylglycine-ME734906-NA--
tridecenedioate (C13:1-DC)*-ME734813-NA--
tyramine O-sulfateTyramine-O-sulfateME734859153005NA--
tyrosineTyrosineME7346386057C00082--
undecanedioate (C11-DC)Undecanedioic acidME73477315816NA--
urateUric acidME7346641175C00366--
uridineUridineME7346356029C00299--
ursodeoxycholateUrsodeoxycholic acidME73466531401C07880--
valylglycineVal-GlyME734835136487NA--
vanillactateVanillactic acidME734863160637NA--
vanillic alcohol sulfate-ME734862-NA--
vanillylmandelate (VMA)Vanillylmandelic acidME7346591245C05584--
X-07765-ME734976-NA--
X-10458-ME734977-NA--
X-11299-ME734978-NA--
X-11308-ME734979-NA--
X-11315-ME734980-NA--
X-11372-ME734981-NA--
X-11381-ME734982-NA--
X-11444-ME734983-NA--
X-11470-ME734984-NA--
X-11478-ME734985-NA--
X-11483-ME734986-NA--
X-11632-ME734987-NA--
X-11787-ME734988-NA--
X-11843-ME734989-NA--
X-11847-ME734990-NA--
X-11849-ME734991-NA--
X-11850-ME734992-NA--
X-11852-ME734993-NA--
X-11858-ME734994-NA--
X-11861-ME734995-NA--
X-11880-ME734996-NA--
X-11979-ME734997-NA--
X-12007-ME734998-NA--
X-12013-ME734999-NA--
X-12026-ME735000-NA--
X-12027-ME735001-NA--
X-12104-ME735002-NA--
X-12111-ME735003-NA--
X-12193-ME735004-NA--
X-12216-ME735005-NA--
X-12221-ME735006-NA--
X-12261-ME735007-NA--
X-12262-ME735008-NA--
X-12306-ME735009-NA--
X-12407-ME735010-NA--
X-12411-ME735011-NA--
X-12456-ME735012-NA--
X-12544-ME735013-NA--
X-12701-ME735014-NA--
X-12707-ME735015-NA--
X-12713-ME735016-NA--
X-12714-ME735017-NA--
X-12718-ME735018-NA--
X-12726-ME735019-NA--
X-12729-ME735020-NA--
X-12730-ME735021-NA--
X-12731-ME735022-NA--
X-12738-ME735023-NA--
X-12740-ME735024-NA--
X-12812-ME735025-NA--
X-12816-ME735026-NA--
X-12818-ME735027-NA--
X-12822-ME735028-NA--
X-12830-ME735029-NA--
X-12839-ME735030-NA--
X-12844-ME735031-NA--
X-12847-ME735032-NA--
X-12849-ME735033-NA--
X-12851-ME735034-NA--
X-12906-ME735035-NA--
X-13007-ME735036-NA--
X-13553-ME735037-NA--
X-13658-ME735038-NA--
X-13695-ME735039-NA--
X-13723-ME735040-NA--
X-13726-ME735041-NA--
X-13728-ME735042-NA--
X-13729-ME735043-NA--
X-13844-ME735044-NA--
X-13846-ME735045-NA--
X-13866-ME735046-NA--
X-14904-ME735047-NA--
X-14939-ME735048-NA--
X-15220-ME735049-NA--
X-15245-ME735050-NA--
X-15486-ME735051-NA--
X-15503-ME735052-NA--
X-15674-ME735053-NA--
X-15728-ME735054-NA--
X-16087-ME735055-NA--
X-16124-ME735056-NA--
X-16935-ME735057-NA--
X-16938-ME735058-NA--
X-16964-ME735059-NA--
X-17010-ME735060-NA--
X-17146-ME735061-NA--
X-17325-ME735062-NA--
X-17343-ME735063-NA--
X-17346-ME735064-NA--
X-17348-ME735065-NA--
X-17351-ME735066-NA--
X-17357-ME735067-NA--
X-17361-ME735068-NA--
X-17365-ME735069-NA--
X-17367-ME735070-NA--
X-17438-ME735071-NA--
X-17653-ME735072-NA--
X-17654-ME735073-NA--
X-17673-ME735074-NA--
X-17676-ME735075-NA--
X-17685-ME735076-NA--
X-17686-ME735077-NA--
X-17690-ME735078-NA--
X-18240-ME735079-NA--
X-18345-ME735080-NA--
X-18779-ME735081-NA--
X-18838-ME735082-NA--
X-18886-ME735083-NA--
X-18887-ME735084-NA--
X-18888-ME735085-NA--
X-18899-ME735086-NA--
X-18901-ME735087-NA--
X-18913-ME735088-NA--
X-18921-ME735089-NA--
X-18922-ME735090-NA--
X-18935-ME735091-NA--
X-19141-ME735092-NA--
X-19183-ME735093-NA--
X-19299-ME735094-NA--
X-21258-ME735095-NA--
X-21285-ME735096-NA--
X-21286-ME735097-NA--
X-21310-ME735098-NA--
X-21312-ME735099-NA--
X-21319-ME735100-NA--
X-21327-ME735101-NA--
X-21339-ME735102-NA--
X-21353-ME735103-NA--
X-21364-ME735104-NA--
X-21383-ME735105-NA--
X-21441-ME735106-NA--
X-21442-ME735107-NA--
X-21467-ME735108-NA--
X-21470-ME735109-NA--
X-21471-ME735110-NA--
X-21733-ME735111-NA--
X-21736-ME735112-NA--
X-21752-ME735113-NA--
X-21788-ME735114-NA--
X-21796-ME735115-NA--
X-21803-ME735116-NA--
X-21807-ME735117-NA--
X-21815-ME735118-NA--
X-21816-ME735119-NA--
X-21821-ME735120-NA--
X-21829-ME735121-NA--
X-21834-ME735122-NA--
X-21840-ME735123-NA--
X-21959-ME735124-NA--
X-22776-ME735125-NA--
X-22834-ME735126-NA--
X-23276-ME735127-NA--
X-23787-ME735128-NA--
X-23974-ME735129-NA--
X-24307-ME735130-NA--
X-24328-ME735131-NA--
X-24334-ME735132-NA--
X-24337-ME735133-NA--
X-24341-ME735134-NA--
X-24344-ME735135-NA--
X-24418-ME735136-NA--
X-24494-ME735137-NA--
X-24541-ME735138-NA--
X-24544-ME735139-NA--
X-24546-ME735140-NA--
X-24571-ME735141-NA--
X-24576-ME735142-NA--
X-24588-ME735143-NA--
X-24669-ME735144-NA--
X-24757-ME735145-NA--
X-24762-ME735146-NA--
X-24947-ME735147-NA--
X-24949-ME735148-NA--
X-24951-ME735149-NA--
X-24953-ME735150-NA--
X-25279-ME735151-NA--
X-25371-ME735152-NA--
X-25433-ME735153-NA--
X-25454-ME735154-NA--
X-25457-ME735155-NA--
X-25511-ME735156-NA--
X-25937-ME735157-NA--
X-26054-ME735158-NA--
X-26062-ME735159-NA--
X-26109-ME735160-NA--
X-26111-ME735161-NA--
X-26119-ME735162-NA--
xanthurenateXanthurenic acidME7346825699C02470--


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME73519346891795NA--
2-aminoadipatealpha-Aminoadipic acidME73517592136C00956--
2-hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME73523811427NA--
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME735232-C21297,C05984--
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME73516711970C05852--
2-oxoadipateOxoadipic acidME73516371C00322--
2R,3R-dihydroxybutyrate4-Deoxyerythronic acidME73522013120901NA--
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME73521910964471NA--
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME735214150929NA--
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME735166-C03761--
3-hydroxyadipate3-Hydroxy-adipic acidME735228151913NA--
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME735169-C03197,C01089--
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME73516511966314C01188,C06001--
3-methyladipate3-Methyladipic acidME73521612292NA--
3-methylglutaconate3E-Methylglutaconic acidME7352221551553NA--
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME735224599C01127--
allantoinAllantoinME735190-C02348,C01551,C02350--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME73520899823NA--
alpha-ketobutyrate3-Methyl pyruvic acidME73518058C00109--
alpha-ketoglutaramate*2-Keto-glutaramic acidME73522148C00940--
alpha-ketoglutarate2-Oxoglutaric acidME73516451C00026--
arabinoseArabinoseME73518566308C00216--
arabitol/xylitolArabitolME735230-C00379,C00542,C01904--
arabonate/xylonateArabinonic acid/Xylonic acidME735229-C00502,C05411--
ascorbic acid 2-sulfate-ME73523354676864NA--
ascorbic acid 3-sulfate*-ME73523611425365NA--
chiro-inositol1D-chiro-InositolME735218-C19891--
cholesterol sulfateCholesterol sulfateME73521265076C18043--
citraconate/glutaconateCitraconic acid/Glutaconic acidME735231-C02226,C02214--
dihydroorotate4,5-Dihydroorotic acidME735188648C00337--
erythronate*Erythronic acidME7352092781043NA--
ethylmalonateEthylmalonic acidME73519511756NA--
fructoseFructoseME7351862723872C00095--
fumarateFumaric acidME735170444972C00122--
galactonateGalactonic acidME735203-C00880,C15930--
gentisateGentisic acidME7351983469C00628--
glucoseGlucoseME7351795793C00031--
glucuronateGlucuronic acidME735196-C16245--
glutarate (C5-DC)Glutaric acidME735171-C00489--
glycerateGlyceric acidME735192-C00258--
guanidinoacetateGuanidoacetic acidME735172763C00581--
gulonate*Gulonic acidME735211152304C00800--
heptenedioate (C7:1-DC)*-ME735235-NA--
hydantoin-5-propionateHydantoin-5-propionic acidME735223782C05565--
hypotaurineHypotaurineME735173107812C00519--
lactoseLactoseME7351766134C01970--
lyxonateD-Lyxonic acidME735234-NA--
maleateMaleic acidME735199444266C01384--
malonateMalonic acidME735182867C00383--
maltoseMaltoseME73518710991489C00208--
mannitol/sorbitolSorbitolME735215-C00392,C00794--
mannoseMannoseME735181-C00159,C02209,C00936--
methylmalonate (MMA)Methylmalonic acidME735177487C02170--
methylsuccinateMethylsuccinic acidME73519410349NA--
myo-inositolMyo-inositolME735174892C00137--
N2-acetyllysineN(2)-AcetyllysineME73521392907C12989--
N-acetylasparagineN-AcetylasparagineME73520599715NA--
N-acetylaspartate (NAA)N-Acetylaspartic acidME73520065065C01042--
N-acetylcarnosineN-AcetylcarnosineME7352269903482NA--
N-acetylglutamineN-AcetylglutamineME735204182230C02716--
N-acetylhistidineN-AcetylhistidineME73520775619C02997--
N-acetylserineN-AcetylserineME73521765249NA--
N-acetylthreonineN-AcetylthreonineME735206152204NA--
N-methyltaurineN-MethyltaurineME7352277882NA--
orotateOrotic acidME735178967C00295--
orotidineOrotidineME73521092751NA--
pentose acid*Valeric acidME7352397991C00803--
ribitolRibitolME7351976912C00379,C01904,C00474,C00532--
ribonateRibonic acidME7352015460677C01685--
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME73522582142NA--
succinateSuccinic acidME7351681110C00042--
succinoyltaurine-ME735237-NA--
sucroseSucroseME7351895988C00089--
threonateThreonic acidME735202-C01620--
uracilUracilME7351831174C00106--
xanthineXanthineME7351911188C00385--
xyloseXyloseME735184135191C00181--


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