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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 acidME75673175810C05828--
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME7567976451814---
1-methyladenosine1-MethyladenosineME75668627476C02494--
1-methylguanidineMethylguanidineME75670710111C02294--
1-methylhistidine1-MethylhistidineME75671992105C01152--
1-methylnicotinamide1-Methyl nicotinamideME756607457C02918--
1-methylurate1-Methyluric acidME75674669726C16359--
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME756771440569C05131--
"2,3-dihydroxypyridine"2,3-DihydroxypyridineME75671328115---
2-aminoadipatealpha-Aminoadipic acidME75663492136C00956--
2-aminobutyrate2-Aminobutyric acidME75667880283C02356--
2-aminoheptanoate2-Aminoheptanoic acidME756818227939---
(2-butoxyethoxy)acetic acid-ME756866106312---
2-furoylcarnitine-ME756841----
2-hydroxyglutarate2-Hydroxyglutaric acidME75677943C02630--
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME7567576426901---
2-methylmalonylcarnitine (C4-DC)CAR DC3:0;2MeME75676453481628---
2-methylserine2-MethylserineME75683294309C02115--
2'-O-methylcytidine2'-O-MethylcytidineME756836150971---
2-oxindole-3-acetate2-Oxindole-3-acetateME7567993080590---
2-oxoarginine*2-OxoarginineME756796558C03771--
2-piperidinone2-PiperidinoneME75681412665---
3-amino-2-piperidone3-Amino-2-piperidoneME7568505200225---
3-aminoisobutyrate3-Aminoisobutanoic acidME75667764956C05145--
3-formylindole1H-Indole-3-carboxaldehydeME75684710256C08493--
3-hydroxybutyroylglycine**-ME756844----
3-hydroxyhexanoylcarnitine (1)CAR 6:0;3OHME756858----
3-hydroxyhexanoylcarnitine (2)CAR 6:0;3OHME756859----
3-hydroxykynurenineHydroxykynurenineME75671689C02794--
3-hydroxyoctanoylcarnitine (1)CAR 8:0;3OHME756869----
3-hydroxyoctanoylcarnitine (2)CAR 8:0;3OHME756870----
3-hydroxypyridine glucuronide-ME756857----
3-hydroxystachydrine*3-HydroxystachydrineME75684246173781C10151--
3-methoxytyrosine3-MethoxytyrosineME7566909307---
3-methylcrotonylglycine3-MethylcrotonylglycineME756727169485C20828--
3-methylcytidine3-MethylcytidineME75675214237477---
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME756822128145---
3-methylxanthine3-MethylxanthineME75672470639C16357--
3-phosphoglycerate3-Phosphoglyceric acidME756608724C00597--
3-ureidopropionateUreidopropionic acidME756673111C02642--
4-acetamidobutanoate4-Acetamidobutanoic acidME75667618189C02946--
4-guanidinobutanoate4-Guanidinobutanoic acidME756696500C01035--
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME756790439902C03079--
4-hydroxyphenylacetoylcarnitine-ME756828----
4-imidazoleacetateImidazoleacetic acidME75673096215C02835--
"5,6-dihydrothymine"DihydrothymineME75660993556C00906--
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME75678766995551---
5-hydroxylysine5-HydroxylysineME7566953032849C16741--
5-hydroxymethyl-2-furoylcarnitine*-ME756862----
5-methylthioadenosine (MTA)5'-MethylthioadenosineME756617439176C00170--
7-methylguanine7-MethylguanineME756751135398679C02242--
7-methylurate7-Methyluric acidME75678569160C16355--
7-methylxanthine7-MethylxanthineME75674568374C16353--
acetoacetateAcetoacetic acidME75668296C00164--
acetylcarnitine (C2)CAR 2:0ME7567117045767C02571--
adenineAdenineME756665190C00147--
adenosineAdenosineME75665560961C00212--
adipoylcarnitine (C6-DC)CAR DC5:0ME75682771296139---
alanineAlanineME7566595950C00041--
alliinAlliinME75680787310C08265--
AMPAMPME7566166083C00020--
anthranilate2-Aminobenzoic acidME756688227C00108--
argininate*Argininic acidME756795160437---
arginineArginineME7566186322C00062--
argininosuccinateArgininosuccinic acidME75661960150382C03406--
asparagineAsparagineME7566676267C00152--
aspartateAspartic acidME7566205960C00049--
azeloylcarnitine (C9-DC)-ME756830----
benzoylcarnitine*BenzoylcarnitineME756819----
beta-alaninebeta-AlanineME756621239C00099--
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME756763----
betaineBetaineME756656247C00719--
betonicineBetonicineME756782164642C08269--
butenoylcarnitine (C4:1)CAR 4:1ME756840----
butyrylcarnitine (C4)CAR 4:0ME756720439829C02862--
caffeineCaffeineME7566632519C07481--
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME7568022572---
carnitineCarnitineME756692288"C00487,C00308"--
carnosineCarnosineME756622439224C00386--
cholineCholineME756687305C00114--
cis-urocanateUrocanic acidME7568051549103---
citrullineCitrullineME7566359750C00327--
cotinineCotinineME756662408---
cotinine N-oxideCotinine N-oxideME7567949815514---
creatineCreatineME756683586C00300--
creatinineCreatinineME756624588C00791--
cyclo(gly-pro)Cyclo(Gly-Pro)ME756776193540---
"cys-gly, oxidized"-ME756684333293---
cystathionineCystathionineME756627439258C02291--
cysteineCysteineME7566575862C00097--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME7567503080690R00900--
cysteine sulfinic acid3-Sulfino-alanineME756780109C00606--
cysteinylglycineCys-GlyME756625439498C01419--
cysteinylglycine disulfide*Cysteinylglycine disulfideME75678822833544---
cystineCystineME75662667678C00491--
cytidineCytidineME7566616175C00475--
cytosineCytosineME756666597C00380--
deoxycarnitine3-DehydroxycarnitineME75677022620C01181--
diacetylspermidine*-ME756849132680C03413--
dimethylarginine (ADMA + SDMA)DimethylarginineME756774-"C21189,C03626"--
dimethylglycineDimethylglycineME756658673C03626--
dimethylguanidino valeric acid (DMGV)*DMGVME756861101535539---
dimethyl sulfoneDimethyl sulfoneME7568136213C11142--
dopamineDopamineME756691681C03758--
ectoineEctoineME756769126041C06231--
ergothioneineErgothioneineME7567835351619C05570--
formiminoglutamateFormiminoglutamic acidME756789439233C00439--
fructosyllysineFructosyllysineME7568219839580---
gamma-carboxyglutamategamma-Carboxy-glutamic acidME75679140772---
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME756756----
gamma-glutamylalaninegamma-GlutamylalanineME756775440103C03738--
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME75683765254---
gamma-glutamylcitrulline*-ME756848----
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME7567337015685---
gamma-glutamylglutamategamma-Glutamylglutamic acidME75662892865C05282--
gamma-glutamylglutaminegamma-GlutamylglutamineME756679150914C05283--
gamma-glutamylglycinegamma-GlutamylglycineME756736100099---
gamma-glutamylhistidinegamma-GlutamylhistidineME7566857017195---
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME75675522885096---
gamma-glutamylleucinegamma-GlutamylleucineME756689151023---
gamma-glutamylmethioninegamma-GlutamylmethionineME7567407009567---
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME756706111299---
gamma-glutamylthreoninegamma-GlutamylthreonineME75674176078708---
gamma-glutamyltryptophangamma-GlutamyltryptophanME7567373989307---
gamma-glutamyltyrosinegamma-GlutamyltyrosineME75667494340---
gamma-glutamylvalinegamma-GlutamylvalineME7567267015683---
glutamateGlutamic acidME75665033032"C00025,C00217"--
"glutamate, gamma-methyl ester"Glutamic acid, gamma-methyl esterME75672368662---
glutamineGlutamineME7566515961C00064--
glutamine_degradant*-ME756759----
glutarylcarnitine (C5-DC)CAR DC5:0ME75676271317118---
glycerol 3-phosphatesn-Glycero-3-phosphateME756697754C0093--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME756767123874C01233--
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME756768167572---
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME75670071920C00670--
glycerophosphoserine*sn-Glycero-3-phosphoserineME7568383081457---
glycineGlycineME756629750C00037--
guanidineAgmatineME7567173520C17349--
guanidinoacetateGuanidoacetic acidME756630763C00581--
guanidinosuccinateGuanidinosuccinic acidME756732439918C03139--
hexanoylcarnitine (C6)CAR 6:0ME7567096426853---
histidine betaine (hercynine)*HercynineME7568123083620---
homoarginineHomoarginineME7567159085C01924--
homostachydrine*(S)-HomostachydrineME756760441447C08283--
hydroxyasparagine**HydroxyasparagineME75684315991574C20631--
hydroxycotininetrans-3-HydroxycotinineME756793107963---
"hydroxy-N6,N6,N6-trimethyllysine*"-ME756863----
hydroxyprolineHydroxyprolineME7566685810C01157--
hypotaurineHypotaurineME756631107812C00519--
hypoxanthineHypoxanthineME756610-C00262--
imidazole lactateImidazolelactic acidME756698793C05568--
imidazole propionateImidazole propanoateME75680670630---
iminodiacetate (IDA)IminodiacetateME7567148897C19911--
indoleacetoylcarnitine*-ME756853----
indolin-2-oneIndolin-2-oneME756816321710C12312--
inosine 5'-monophosphate (IMP)IMPME7566328582C00130--
isobutyrylcarnitine (C4)CAR 3:0;2MeME756721168379---
isoleucineIsoleucineME7566336306"C06418,C00407,C16424"--
isovalerylcarnitine (C5)CAR 4:0;3MeME756744169235C20826--
kynurenineKynurenineME756699161166C00328--
lanthionineLanthionineME75680998504---
leucineLeucineME7566376106C00123--
leucylglycineLeu-GlyME75680079070---
levulinate (4-oxovalerate)Levulinic acidME75670811579---
levulinoylcarnitine-ME756864----
lysineLysineME7566385962"C00739,C00047"--
malonylcarnitineCAR DC3:0ME75675822833583---
methionineMethionineME7566396137C00073--
methionine sulfoneMethionine sulfoneME75682069961---
methionine sulfoxideMethionine sulfoxideME756694158980C02989--
methyl indole-3-acetateIndole-3-methyl acetateME75667574706---
methylsuccinoylcarnitine-ME756834----
N('1)-acetylspermidineN1-AcetylspermidineME756613496C00612--
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME75675369698C05842--
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME756754440810C05843--
N1-methylinosine1-MethylinosineME756747650095---
"N1,N12-diacetylspermine"N1,N12-DiacetylspermineME756781132680C03413--
"N2-acetyl,N6-methyllysine"N2-Acetyl,N6-methyllysineME756856----
"N2-acetyl,N6,N6-dimethyllysine"N2-Acetyl,N6,N6-dimethyllysineME756855----
"N2,N2-dimethylguanosine"N2,N2-DimethylguanosineME756748135501639---
N4-acetylcytidineN4-AcetylcytidineME756749107461---
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME756773123800---
N6-methyllysineN(6)-MethyllysineME756804164795C02728--
"N6,N6-dimethyllysine"N(6),N(6)-Dimethyl-lysineME756852193344C05545--
"N6,N6,N6-trimethyllysine"N-6-TrimethyllysineME756614440120C03793--
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME75681553859791---
N-acetyl-2-aminoadipate-ME756868443992C12986--
N-acetylarginineN-AcetylarginineME75673467427C02562--
N-acetylaspartate (NAA)N-Acetylaspartic acidME75671065065C01042--
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME756766188803C12270--
N-acetyl-cadaverineN-AcetylcadaverineME75678610374713---
N-acetylcarnosineN-AcetylcarnosineME7568119903482---
N-acetylcitrullineN-AcetylcitrullineME756761656979"C15532,C02851"--
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME756826-C01074--
N-acetylglucosaminylasparagineAspartylglycosamineME756681123826C04540--
N-acetylglutamateN-Acetylglutamic acidME75670170914C00624--
N-acetylglycineN-AcetylglycineME75671810972---
N-acetyl-isoputreanineN-AcetylisoputreanineME756854131802901---
N-acetylkynurenine (2)N-AcetylkynurenineME75682573817779---
N-acetylneuraminateN-Acetylneuraminic acidME756680439197C00270--
N-acetylprolineN-Acetyl-prolineME756743322640---
N-acetylputrescineN-AcetylputrescineME756615122356C02714--
N-acetylthreonineN-AcetylthreonineME756735152204---
N-alpha-acetylornithineN-AcetylornithineME756702439232C00437--
N-carbamoylalanineN-CarbamoylalanineME756824426409---
N-formylkynurenineN-Formyl-L-kynurenineME756612910"C15605,C02406,C02700"--
nicotinamideNiacinamideME756640936C00153--
nicotinamide ribosideNicotinamide ribosideME756739439924C03150--
nicotinate ribonucleosideD-RibosylnicotinateME756742161233C05841--
N-methylhydroxyproline**N-Methyl-4-hydroxyprolineME7568459860390---
N-methylprolineN-Methyl-prolineME756778643474---
"N,N-dimethyl-5-aminovalerate"N,N-Dimethyl-5-aminovaleric acidME756860----
"N,N-dimethylalanine"N,N-DimethylalanineME7568515488191---
"N,N,N-trimethyl-5-aminovalerate"N,N,N-trimethyl-5-aminovalerateME75683914274897---
"N,N,N-trimethyl-alanylproline betaine (TMAP)"N,N,N-Trimethyl-alanylproline betaineME756846----
norcotinineNorcotinineME756792413---
ornithineOrnithineME7566416262C00077--
phenylacetylcarnitine-ME756823101724840---
phenylalaninePhenylalanineME7566426140C00079--
phosphatePhosphoric acidME7566431061C00009--
phosphocholineCholine phosphateME7566231014C00588--
phosphoethanolamine (PE)PhosphoethanolamineME7566721015C00346--
picolinatePicolinic acidME7566691018C10164--
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME756835----
pipecolatePipecolic acidME756671----
prolineProlineME756644-"C00148,C000763"--
prolylglycinePro-GlyME7568086426709---
prolylhydroxyprolinePro-hydroxyProME75672911902893---
propionylcarnitine (C3)CAR 3:0ME756728107738C03017--
quinolinateQuinolinic acidME7566111066C03722--
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME75681053481617---
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME75660511966181C04322--
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME75683371464477---
(S)-a-amino-omega-caprolactamL-2-aminohexano-6-lactamME756865440599C02837--
saccharopineSaccharopineME756636160556C00449--
S-allylcysteineS-AllylcysteineME75681798280---
sarcosineSarcosineME7566701088C00213--
S-carboxyethylcysteine-ME756867----
serineSerineME7566455951C00065--
serotoninSerotoninME7566465202C00780--
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME75679882142---
S-methylmethionineS-MethylmethionineME756784458C05319--
spermidineSpermidineME7566061102C00315--
stachydrineStachydrineME756738115244C10172--
suberoylcarnitine (C8-DC)CAR DC8:0ME756829----
succinylcarnitine (C4-DC)CAR DC4:0ME75677771464481---
taurineTaurineME7566471123C00245--
theobromineTheobromineME7567055429C07480--
theophyllineTheophyllineME7567042153C07130--
thiamin (Vitamin B1)ThiamineME7566641130"DG00125,C00378,D08580"--
thioprolineThioprolineME75683193176---
threonineThreonineME7566526288C00188--
threonylphenylalanineThr-PheME7567257010580---
tiglyl carnitine (C5)CAR 4:1;2MeME75676522833596---
trans-urocanateUrocanic acidME756649736715C00785--
trigonelline (N'-methylnicotinate)TrigonellineME7567225570C01004--
trimethylamine N-oxideTrimethylamine N-oxideME7568031145C01104--
trizma acetate2-Amino-2-methylol-propane-1,3-diolME75671216218782C07182--
tryptophanTryptophanME7566536305C00078--
tryptophan betaineLenticinME756772442106C09213--
tyrosineTyrosineME7566606057C00082--
ureaUreaME7566481176C00086--
valineValineME7566546287C00183--
valylleucineVal-LeuME756801352039---
xanthosineXanthosineME75670364959C01762--
xanthurenateXanthurenic acidME7566935699C02470--


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-18:2ME756944----
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME756987----
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME75698352925126---
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME75698624779386---
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME75699852925127---
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME75698534779384---
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME75698452925128---
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME75700252923882---
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME75700311146967---
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME75693310917802---
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME756936----
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME7569829547058---
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME757010----
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME75696442607457---
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME756937----
"1,2-dilinoleoyl-GPC (18:2/18:2)"PC 18:2/18:2ME7569595288075---
"1,2-dilinoleoyl-GPE (18:2/18:2)*"PE 18:2/18:2ME7570079546812---
"1,2-dipalmitoyl-GPC (16:0/16:0)"PC 16:0/16:0ME756892452110D03585--
"1,2-dipalmitoyl-GPE (16:0/16:0)*"PE 16:0/16:0ME757005445468---
1-arachidonoyl-GPC* (20:4)*LPC 20:4/0:0ME75691124779476C05208--
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME75691642607465---
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME75693224779481---
1-linolenoyl-GPC (18:3)*LPC 18:3ME756943-C04100--
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME75701652922731---
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME75690711988421C04100--
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME75691552925130---
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME75700124778634---
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME756893129657---
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME757008348281223---
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME75700024778955---
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*PE 18:1/22:6ME75700952922113---
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME7569999546753---
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME75690316081932C03916--
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME7569149547071---
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1_18:3ME75701752922452---
1-palmitoleoyl-GPC* (16:1)*LPC 16:1/0:0ME75691024779461---
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME75696110747814C05208--
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME7569769546800C05210--
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME756979----
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...-ME756975----
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME7569626441886---
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME7569779546799---
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME7568855287971---
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME7569199546747---
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME75688446891795---
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME7568876436017C13875--
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME7568835283496---
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME75699771296232---
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME7569746443788---
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME75696624778686C03889--
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*PE 16:0/18:0ME7570065326793---
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME75689886554C04102--
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME7569139547069---
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME75691816219824---
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME7569725289133C05210--
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME756889----
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME75696324778876---
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME7569789546798---
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME7569736441487---
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME7569719546749---
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME756980----
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME75696024778825---
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME7569179546742---
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME757004----
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME7568919547087---
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME756902497300---
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME7569089547068---
2-palmitoleoyl-GPC* (16:1)*LPC 0:0/16:1ME756912122164832---
3-decenoylcarnitineCAR 10:1ME757099----
3-hydroxydecanoylcarnitineCAR 10:0;3OHME757100121454166---
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME757095129637446---
3-hydroxypalmitoylcarnitineCAR 16:0;3OHME757094126456228---
4-cholesten-3-oneCholestenoneME75692791477C00599--
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME75709391825571---
adrenoylcarnitine (C22:4)*CAR 22:4ME757087----
alpha-tocopherolalpha-TocopherolME75687886472C02477--
arachidonoylcarnitine (C20:4)CAR 20:4ME757080136212424---
arachidonoylcholineArachidonoylcholineME757014122198216---
arachidonoyl ethanolamideArachidonoyl-EAME7568805281969C11695--
arachidoylcarnitine (C20)*CAR 20:0ME75707653477833---
behenoylcarnitine (C22)*CAR 22:0ME75707571464577---
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME75698944260132---
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME75695344260125---
beta-cryptoxanthinCryptoxanthinME7569245281235C08591--
beta-sitosterolSitosterolME756895222284C01753--
bilirubinBilirubinME7568775280352C00486--
"bilirubin (E,E)*"BilirubinME756922129320511---
"bilirubin (E,Z or Z,E)*"BilirubinME7569235799469C00486--
biliverdinBiliverdinME7568715280353C00500--
campesterolCampesterolME756900173183C01789--
carotene diol (1)Carotene diolME757090----
carotene diol (2)Carotene diolME757091----
carotene diol (3)Carotene diolME757092----
"ceramide (d16:1/24:1, d18:1/22:1)*"Cer 40:2;O2ME757055----
"ceramide (d18:1/14:0, d16:1/16:0)*"Cer 36:1;O2ME757057----
"ceramide (d18:1/17:0, d17:1/18:0)*"Cer 35:1;O2ME757058----
"ceramide (d18:2/24:1, d18:1/24:2)*"Cer 42:3;O2ME757059----
cerotoylcarnitine (C26)*CAR 26:0ME75707853477828---
cholesterolCholesterolME756872-C00187--
"cis-3,4-methyleneheptanoylcarnitine"-ME757102----
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME75692957357170---
decanoylcarnitine (C10)CAR 10:0ME75689710245190---
"diacylglycerol (14:0/18:1, 16:0/16:1) [1]*"-ME757030----
"diacylglycerol (14:0/18:1, 16:0/16:1) [2]*"-ME757031----
"diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*"-ME757035----
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME757083----
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME757082----
docosahexaenoylcarnitine (C22:6)*CAR 22:6ME757085----
docosahexaenoylcholine-ME757015----
docosapentaenoylcarnitine (C22:5n3)*CAR 22:5ME75708871464594---
D-urobilinD-UrobilinME7569315280820C05795--
eicosenoylcarnitine (C20:1)*CAR 20:1ME757081----
gamma-tocopherol/beta-tocopherolbeta-tocopherolME756981-"C14152,C02483"--
"glycosyl ceramide (d18:1/20:0, d16:1/22:0)*"HexCer 38:1;O2ME757089----
"glycosyl ceramide (d18:1/23:1, d17:1/24:1)*"HexCer 41:2;O2ME757062----
"glycosyl ceramide (d18:2/24:1, d18:1/24:2)*"HexCer 42:3;O2ME757060----
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...-ME757063----
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*HexCer 18:2;O2/22:0ME757046----
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME757012----
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME756921----
glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)...-ME757061----
hemeHemeME75690426945C00032--
hexadecasphingosine (d16:1)*C16 SphingosineME75705414767871---
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**-ME757097----
lactosyl-N-arachidoyl-sphingosine (d18:1/20:0)*-ME75705353481000C01290--
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME75704544260143---
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME757044----
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME75699253477895---
lactosyl-N-stearoyl-sphingosine (d18:1/18:0)*LacCer 18:1;O2/18:0ME75703910260120---
laurylcarnitine (C12)CAR 12:0ME756906168381---
lignoceroylcarnitine (C24)*CAR 24:0ME757077----
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME756956----
linolenoylcarnitine (C18:3)*CAR 18:3ME757074----
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME7570239543796---
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME7570249543796---
linoleoylcarnitine (C18:2)*CAR 18:2ME7569386450015---
linoleoylcholine*alpha-LinoleoylcholineME75706553481656---
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]...DG 18:2_22:6ME7570289543899---
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME7570279543737---
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME7570369543729---
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME7570379543729---
L-urobilinL-UrobilinME7569305280818C05793--
margaroylcarnitine (C17)*CAR 17:0ME75693953477803---
myristoleoylcarnitine (C14:1)*CAR 14:1ME756949129691961---
myristoylcarnitine (C14)CAR 14:0ME7569016426854---
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME75699344260138---
myristoyl-linoleoyl-glycerol (14:0/18:2) [1]*DG 14:0_18:2ME75705114275352---
myristoyl-linoleoyl-glycerol (14:0/18:2) [2]*DG 14:0_18:2ME75705214275352---
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...-ME75704872715801---
nervonoylcarnitine (C24:1)*CAR 24:1ME757086----
nonanoylcarnitine (C9)CAR 9:0ME75695891825642---
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*-ME757056----
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME757042----
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME7569915283572---
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME7568825283564---
N-stearoyl-sphingadienine (d18:2/18:0)*Cer 18:2;O2/18:0ME757047132282053---
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME7568765283573---
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME7568885283565---
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME756948----
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME756947----
octanoylcarnitine (C8)CAR 8:0ME756896-C02838--
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*DG 18:1_20:4ME7570329543786---
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME7570339543786---
oleoylcarnitine (C18:1)CAR 18:1ME7569096441392---
oleoylcholineOleoylcholineME75701359040790---
oleoyl ethanolamideOleoyl-EAME7568795283454---
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*-ME75703814275403---
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME75693414275396---
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME75693571433693---
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME7570219543716---
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME7570229543716---
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]...DG 16:1_20:4ME757050----
palmitoleoylcarnitine (C16:1)*CAR 16:1ME75701871464547---
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME7570299543699---
palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]*DG 16:1_18:1ME75699571768100---
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*DG 16:0_20:4ME7570259543736---
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*DG 16:0_20:4ME7570269543736---
palmitoylcarnitine (C16)CAR 16:0ME756894461C02990--
palmitoylcholinePalmitoylcholineME757011151731---
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME7569679939965---
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]...DG 16:0_22:6ME7570439543827---
palmitoyl ethanolamidePalmitoyl-EAME7568814671C16512--
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*DG 16:0_18:3ME757034----
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME7569949543695---
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME756996131801744---
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*DG 16:0_18:1ME7570195282283C13861--
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME7570205282283C13861--
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME7569269939941---
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...EPC 18:1;O2/16:0ME757101----
pentadecanoylcarnitine (C15)*CAR 15:0ME757084123132011---
piperinePiperineME756899638024C03882--
retinalRetinalME756940638015C00376--
retinol (Vitamin A)RetinolME756875445354C00473--
sphingadienineSphingadienineME7570496449795---
sphinganineSphinganineME7568743126C00836--
sphinganine-1-phosphateSphinganine 1-phosphateME756920520---
"sphingomyelin (d17:1/14:0, d16:1/15:0)*"SM 31:1;O2ME757096----
"sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0...SM 33:1;O2ME756957----
"sphingomyelin (d17:2/16:0, d18:2/15:0)*"SM 33:2;O2ME757073----
"sphingomyelin (d18:0/18:0, d19:0/17:0)*"SM 36:0;O2ME75699044260130---
"sphingomyelin (d18:0/20:0, d16:0/22:0)*"SM 38:0;O2ME757066----
"sphingomyelin (d18:1/14:0, d16:1/16:0)*"SM 32:1;O2ME75694111433862---
"sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0...SM 35:1;O2ME75696546891763---
"sphingomyelin (d18:1/18:1, d18:2/18:0)"SM 36:2;O2ME7569256443882---
"sphingomyelin (d18:1/19:0, d19:1/18:0)*"SM 37:1;O2ME757067----
"sphingomyelin (d18:1/20:0, d16:1/22:0)*"SM 38:1;O2ME75695044260124---
"sphingomyelin (d18:1/20:1, d18:2/20:0)*"SM 38:2;O2ME756951----
"sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2...-ME756952----
"sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0...SM 39:1;O2ME756988----
"sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1...SM 40:2;O2ME756954----
"sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2...SM 40:3;O2ME756955----
"sphingomyelin (d18:1/24:1, d18:2/24:0)*"SM 42:2;O2ME75694644260126---
"sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0...SM 43:1;O2ME757072----
"sphingomyelin (d18:2/14:0, d18:1/14:1)*"SM 32:2;O2ME756945----
"sphingomyelin (d18:2/16:0, d18:1/16:1)*"SM 34:2;O2ME756942----
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME75706852931155---
"sphingomyelin (d18:2/21:0, d16:2/23:0)*"SM 39:2;O2ME757070----
"sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1...SM 41:2;O2ME756969134757653---
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME757071----
"sphingomyelin (d18:2/24:1, d18:1/24:2)*"SM 42:3;O2ME75697085336023---
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME757069----
sphingosineSphingosineME7568735280335C00319--
sphingosine 1-phosphateSphingosine 1-phosphateME7568905283560C06124--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*DG 18:0_20:4ME7570406438587C00165--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*DG 18:0_20:4ME7570416438587---
stearoylcarnitine (C18)CAR 18:0ME7569053006797---
stearoylcholine*StearoylcholineME75706490111---
stearoyl ethanolamideStearoyl-EAME75692827902---
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME7568866453725C00550--
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME756968----
undecenoylcarnitine (C11:1)CAR 11:1ME757098----
ximenoylcarnitine (C26:1)*CAR 26:1ME757079----


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 acidME7572455312435---
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME7572445312513---
10-undecenoate (11:1n1)10-Hendecenoic acidME75723214891C13910--
11beta-hydroxyandrosterone glucuronide-ME757529----
11beta-hydroxyetiocholanolone glucuronide*-ME757530----
11-ketoetiocholanolone glucuronide-ME757396----
"12,13-DiHOME"12,13-DiHOMEME75710410236635C14829--
"1,2,3-benzenetriol sulfate (2)"-ME757435----
"1,3,7-trimethylurate"1,3,7-Trimethyluric acidME75725579437C16361--
"1,3-dimethylurate"1,3-Dimethyluric acidME75722170346---
13-HODE + 9-HODEHODEME757337-"C14767,C14762"--
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME757353-C16995--
"1,5-anhydroglucitol (1,5-AG)"1,5-AnhydrosorbitolME75718864960C07326--
16a-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone sulfateME75733220848950---
16-hydroxypalmitateJuniperic acidME75735610466C18218--
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME7573423083779---
17alpha-hydroxypregnanolone glucuronide-ME757398----
17alpha-hydroxypregnenolone 3-sulfate-ME757333152971---
"1,7-dimethylurate"1,7-Dimethyluric acidME75725791611C16356--
1-arachidonoyl-GPA (20:4)LPA 20:4/0:0ME75738442607498---
1-arachidonoyl-GPI* (20:4)*LPI 20:4/0:0ME757287121596217---
1-arachidonylglycerol (20:4)MG 20:4ME757265-C13857--
1-carboxyethylisoleucine1-CarboxyethylisoleucineME757516----
1-carboxyethylleucine1-CarboxyethylleucineME757515----
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME75751259100900---
1-carboxyethyltyrosine1-CarboxyethyltyrosineME757513----
1-carboxyethylvaline1-CarboxyethylvalineME757514----
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME757414----
1-docosahexaenoylglycerol (22:6)MG 22:6ME75727153480995---
1H-indole-7-acetic acid1H-Indole-7-acetic acidME75739018356439---
1-linolenoylglycerol (18:3)MG 18:3ME75726653480978---
1-linoleoylglycerol (18:2)MG 18:2ME7572135283469---
1-linoleoyl-GPA (18:2)*LPA 18:2/0:0ME757455----
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME757456----
1-linoleoyl-GPI* (18:2)*LPI 18:2/0:0ME75730211124828---
1-methylxanthine1-MethylxanthineME75725980220C16358--
1-myristoylglycerol (14:0)MG 16:3ME75728510957631C01885--
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME7572055283468---
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME75730186289645---
1-palmitoleoylglycerol (16:1)*MG 16:1ME757450----
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME75719814900---
1-palmitoyl-GPA (16:0)LPA 16:0/0:0ME7572676419701C04036--
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME7573993300276---
1-palmitoyl-GPI* (16:0)LPI 16:0/0:0ME75728871296207---
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME757189----
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME75738274819135---
21-hydroxypregnanolone disulfate-ME757413----
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME757313134595---
"2,2'-Methylenebis(6-tert-butyl-p-cresol)"-ME7575068398---
"2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*"2,3-Dihydroxy-5-methylthio-4-pentenoic acidME757542----
"2,4-di-tert-butylphenol"2,4-Ditert-butylphenolME757571----
"(2,4 or 2,5)-dimethylphenol sulfate"-ME757527----
2-aminooctanoate2-Aminocaprylic acidME75737869522---
2-aminophenol sulfate2-Aminophenyl sulfateME757380181670---
2-butenoylglycine2-ButenoylglycineME7574766303498---
2'-deoxyuridineDeoxyuridineME75713513712C00526--
2-ethylphenylsulfate-ME757304----
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME757274164623---
2-hydroxyarachidate*2-Hydroxyeicosanoic acidME7574805225199---
2-hydroxybehenate2-Hydroxy behenic acidME757469193484---
2-hydroxydecanoate2-Hydroxycapric acidME75737221488---
2-hydroxyfluorene sulfate-ME757533----
2-hydroxyhippurate (salicylurate)Salicyluric acidME75717110253C07588--
2-hydroxynervonate*Hydroxynervonic acidME7574705312783---
2-hydroxyoctanoate2-Hydroxyoctanoic acidME757194----
2-hydroxypalmitate2-Hydroxypalmitic acidME757276----
2-hydroxyphytanate*2-Hydroxyphytanic acidME757383189026---
2-hydroxysebacate2-Hydroxy-decanedioic acidME757508128458---
2-ketocaprylate2-Keto-octanoic acidME75753767600---
2-linoleoylglycerol (18:2)MG 18:2ME7572095365676---
2-methoxyhydroquinone sulfate (1)-ME757569----
2-methoxyhydroquinone sulfate (2)-ME757570----
2-methoxyresorcinol sulfate-ME757420----
2-methylbutyrylglycine (C5)2-MethylbutyrylglycineME757227193872---
2-methylcitrate/homocitrateHomocitric acidME757446-C01251--
2-naphthol sulfate2-Naphthyl sulfateME75752674428---
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME7572075319879---
2'-O-methyluridine2'-O-MethyluridineME757465102212---
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME757557----
2-palmitoyl-GPC* (16:0)*LPC 0:0/16:0ME75727515061532---
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME757368----
3-(3-amino-3-carboxypropyl)uridine*3-(3-amino-3-carboxypropyl)uridineME757264171198---
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME75728691C11457--
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME757395187488---
3-(4-hydroxyphenyl)lactate (HPLA)4-Hydroxyphenyllactic acidME7571179378C03672--
3-(4-hydroxyphenyl)propionateDesaminotyrosineME75735210394C01744--
"3,7-dimethylurate"3,7-Dimethyluric acidME75725683126C16360--
3-acetylphenol sulfate3-Acetylphenol sulfateME757381----
"3beta,7alpha-dihydroxy-5-cholestenoate"3beta,7alpha-Dihydroxy-5-cholestenoic acidME7572813081084C17335--
3beta-hydroxy-5-cholestenoateCholestenoic acidME757434165511C17333--
3b-hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME75737692997---
"3-bromo-5-chloro-2,6-dihydroxybenzoic acid*"3-Bromo-5-chloro-2,6-dihydroxybenzoic acidME757562134581543---
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME757487194501---
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME757228123979---
3-ethylcatechol sulfate (1)-ME757540----
3-ethylcatechol sulfate (2)-ME757541----
3-hydroxy-2-methylpyridine sulfate-ME757545----
3-hydroxycotinine glucuronidetrans-3-Hydroxycotinine glucuronideME75738553477725---
3-hydroxydecanoate3-Hydroxydecanoic acidME75721026612---
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME75727016663321---
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME757433151492---
3-hydroxyhippurate3-Hydroxyhippuric acidME757331450268---
3-hydroxyhippurate sulfate-ME757509186339---
3-hydroxylaurate3-Hydroxydodecanoic acidME75722294216---
3-hydroxymyristate3-Hydroxytetradecanoic acidME75720416064---
3-hydroxyoctanoate3-Hydroxyoctanoic acidME75719526613C20793--
3-hydroxyphenylacetoylglutamine-ME757478----
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME757409----
3-indoleglyoxylic acid-ME75750573863---
3-indoxyl sulfateIndoxyl sulfateME75718610258---
3-methoxycatechol sulfate (1)-ME757436129892430---
3-methoxycatechol sulfate (2)-ME757437----
3-methoxytyramine sulfate3-Methoxytyramine sulfateME75739154133459---
3-methyl-2-oxobutyrateKetoisovaleric acidME75720649C00141--
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME757178-"C03465,C06008,C00671"--
3-methyl catechol sulfate (1)-ME757375118431379---
3-methyl catechol sulfate (2)-ME757373----
3-methylhistidine3-MethylhistidineME75717964969C01152--
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME757175107C05629--
4-acetamidobenzoate4-Acetamidobenzoic acidME7574636918889D03836--
4-acetylphenyl sulfate4-Acetylphenyl sulfateME7571934684006---
4-allylcatechol sulfate-ME757532----
4-allylphenol sulfate4-Allylphenol sulfateME75730566633409---
4-chlorobenzoic acid4-Chlorobenzoic acidME7575686318C02370--
4-ethylcatechol sulfate-ME757528----
4-ethylphenyl sulfate4-EthylphenolME75729820822574C13637--
4-hydroxybenzoate4-Hydroxybenzoic acidME757202135C00156--
4-hydroxychlorothalonil4-HydroxychlorothalonilME75740634217---
4-hydroxyhippurate4-Hydroxyhippuric acidME757262151012---
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME757109127C00642--
4-hydroxyphenylacetylglutamine4-HydroxyphenylacetylglutamineME757464----
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME757161979C01179--
4-methoxyphenol sulfate4-Methoxyphenol sulfateME757426----
4-methyl-2-oxopentanoateKetoleucineME75718770C00233--
4-methylcatechol sulfate-ME75737454104170---
4-methylguaiacol sulfate-ME757410----
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME75741653803570---
4-vinylphenol sulfate4-HydroxystyreneME7572976426766C05627--
"5,6-dihydrouracil"DihydrouracilME757157649C00429--
"5,6-dihydrouridine"5,6-DihydrouridineME75726394312---
"5alpha-androstan-3alpha,17alpha-diol disulfate"-ME757314----
"5alpha-androstan-3alpha,17alpha-diol monosulfate"-ME757315----
"5alpha-androstan-3alpha,17beta-diol disulfate"5alpha-Androstan-3alpha,17beta-diol disulfateME75731956639109---
"5alpha-androstan-3alpha,17beta-diol monosulfate (...-ME757320----
"5alpha-androstan-3alpha,17beta-diol monosulfate (...-ME757404121596225---
"5alpha-androstan-3beta,17alpha-diol disulfate"5alpha-Androstan-3beta,17alpha-diol disulfateME75732156639109---
"5alpha-androstan-3beta,17beta-diol disulfate"5alpha-Androstane-3beta,17beta-diolME75730690186325C12525--
"5alpha-androstan-3beta,17beta-diol monosulfate (2...-ME757322----
"5alpha-pregnan-3beta,20alpha-diol disulfate"5alpha-Pregnan-3beta,20alpha-diol disulfateME757307118703093---
"5alpha-pregnan-3beta,20alpha-diol monosulfate (2)...-ME757317----
"5alpha-pregnan-3beta,20beta-diol monosulfate (1)"-ME757316----
"5alpha-pregnan-3beta-ol,20-one sulfate"-ME757327----
5alpha-pregnan-diol disulfate-ME757318----
5-dodecenoate (12:1n7)5-Dodecenoic acidME7572385312378---
5-hydroxy-2-methylpyridine sulfate-ME757544----
5-hydroxyhexanoate5-Hydroxycaproic acidME757224170748---
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME7571051826C05635--
5-hydroxyindole sulfate-ME757451----
5-hydroxymethyl-2-furoic acidSumiki's acidME75736980642C20448--
5-methyluridine (ribothymidine)RibothymidineME757268445408---
5-oxoprolinePyroglutamic acidME757147-"C02237,C01879"--
6-bromotryptophan6-BromotryptophanME7575109856996---
6-hydroxyindole sulfate6-Hydroxyindole sulfateME757425122198196---
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME7573863014237---
7-HOCA7alpha-Hydroxy-3-oxo-4-cholestenoic acidME7572803081085C17337--
7-hydroxyindole sulfate-ME757452----
8-methoxykynurenate-ME75750476230C05830--
"9,10-DiHOME"9,10-DiHOMEME7571109966640C14828--
9-hydroxystearate9-Hydroxy stearic acidME7574009570127---
acesulfameAcesulfameME75742236573---
acisogaAcisogaME757388129397---
aconitate [cis or trans]cis-Aconitic acidME757254-"C004174,C02341"--
ADpSGEGDFXAEGGGVR*-ME757251132993923---
adrenate (22:4n6)Adrenic acidME757231-C16527--
ADSGEGDFXAEGGGVR*-ME75724925081464---
alpha-CEHC glucuronide*-ME757357134819285---
alpha-CEHC sulfatealpha-CEHC sulfateME757402----
alpha-CMBHC glucuronide-ME757403----
alpha-hydroxycaproate2-Hydroxyhexanoic acidME75729299824---
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME757191-C03264--
"androstenediol (3alpha, 17alpha) monosulfate (2)"-ME757323----
"androstenediol (3alpha, 17alpha) monosulfate (3)"-ME757324----
"androstenediol (3beta,17beta) disulfate (1)"-ME75731087120982C04295--
"androstenediol (3beta,17beta) disulfate (2)"-ME75731287120982---
"androstenediol (3beta,17beta) monosulfate (1)"-ME757325----
"androstenediol (3beta,17beta) monosulfate (2)"-ME757326----
andro steroid monosulfate C19H28O6S (1)*-ME757335159663---
androsterone glucuronideAndrosterone 3-glucuronideME757347114833C11135--
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME757216159663---
anserineAnserineME757180112072C01262--
arachidate (20:0)Arachidic acidME75714210467C06425--
arachidonate (20:4n6)Arachidonic acidME757116444899C00219--
benzoateBenzoic acidME757174243C00180--
beta-citrylglutamateBeta-Citryl-glutamic acidME757362189741C20775--
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME75716669362---
"bilirubin degradation product, C16H18N2O5 (1)**"-ME757573----
"bilirubin degradation product, C16H18N2O5 (2)**"-ME757574----
"bilirubin degradation product, C16H18N2O5 (3)**"-ME757581----
"bilirubin degradation product, C16H18N2O5 (4)**"-ME757582----
"bilirubin degradation product, C17H18N2O4 (1)**"-ME757575----
"bilirubin degradation product, C17H18N2O4 (2)**"-ME757576----
"bilirubin degradation product, C17H18N2O4 (3)**"-ME757577----
"bilirubin degradation product, C17H20N2O5 (1)**"-ME757578----
"bilirubin degradation product, C17H20N2O5 (2)**"-ME757579----
branched chain 14:0 dicarboxylic acid**-ME757556----
"branched-chain, straight-chain, or cyclopropyl 10...-ME757560----
"branched-chain, straight-chain, or cyclopropyl 10...-ME757561----
"branched-chain, straight-chain, or cyclopropyl 12...-ME757563----
butyrate/isobutyrate (4:0)Butyric acidME757162264C00246--
butyrylglycine (C4)N-ButyrylglycineME75722688412---
caprate (10:0)Capric acidME7571392969C01571--
caproate (6:0)Caproic acidME7571448892C01585--
caprylate (8:0)Caprylic acidME757145379C06423--
catechol glucuronide-ME75746075124209---
catechol sulfateCatechol sulfateME7572793083879---
C-glycosyltryptophanC-GlycosyltryptophanME75743810981970---
chenodeoxycholateChenodeoxycholic acidME75715510133C02528--
chenodeoxycholic acid sulfate (1)Chenodeoxycholic acid sulfateME75755921252308---
cholateCholic acidME757108221493C00695--
cinnamoylglycineCinnamoylglycineME757341709625---
"cis-3,4-methyleneheptanoate"-ME757567----
"cis-3,4-methyleneheptanoylglycine"-ME757572----
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME7573485282726---
citrateCitric acidME757156311C00158--
corticosteroneCorticosteroneME7571195753C02140--
cortisolCortisolME7571245754C00735--
cortisol 21-sulfateCortisol 21-sulfateME757546102172---
cortisoneCortisoneME757120222786C00762--
cortolone glucuronide (1)-ME757475----
daidzeinDaidzeinME7572355281708C10208--
daidzein 7-O-glucuronideDaidzein 7-O-glucuronideME75749211316354---
daidzein sulfate (1)-ME75743112114465---
daidzein sulfate (2)-ME75743212114465---
decadienedioic acid (C10:2-DC)**-ME75756417789717---
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME75719712594C04555--
delta-CEHC-ME75751135027084---
deoxycholateDeoxycholic acidME757121-C04483--
deoxycholic acid 12-sulfate*-ME757565----
deoxycholic acid glucuronide-ME757531----
dihomolinoleate (20:2n6)11Z,14Z-Eicosadienoic acidME7571646439848C16525--
dihomolinolenate (20:3n3 or 3n6)Eicosatrienoic acidME7572965280581C03242--
dihydroferulateDihydroferulic acidME75736414340---
dihydroferulic acid sulfateDihydroferulic acid 4-sulfateME757501187489---
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME7572305282807C16533--
docosadioate (C22-DC)Docosanedioic acidME7573557641C14240--
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME757190445580C06429--
docosapentaenoate (DPA; 22:5n3)-ME7572296441454C16513--
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME7572776441454C16513--
dodecadienoate (12:2)*Dodecadienoic acidME75751725480---
dodecanedioate (C12)Dodecanedioic acidME75721912736C02678--
dodecenedioate (C12:1-DC)*Traumatic acidME7574815283028---
dopamine 3-O-sulfateDopamine 3-O-sulfateME757430122136C13690--
dopamine 4-sulfateDopamine 4-sulfateME75742968517194C13691--
DSGEGDFXAEGGGVR*-ME757250132993922---
EDTAEdetic acidME7572116049C00284--
eicosanedioate (C20-DC)Eicosanedioic acidME75735475502---
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME757172446284C06428--
eicosenoate (20:1n9 or 1n11)cis-Gondoic acidME757252-C16526--
epiandrosterone sulfateEpiandrosteroneME7572479929317C04555--
equol sulfate-ME757363----
erucate (22:1n9)cis-Erucic acidME757152-C08316--
estrone 3-sulfateEstrone 3-sulfateME7571633001028C02538--
ethyl alpha-glucopyranoside-ME75747411127487---
ethyl beta-glucopyranoside-ME757507121667---
ethyl glucuronideEthyl glucuronideME75734918392195---
ethyl maltol sulfate-ME757423----
etiocholanolone glucuronideAndrosterone 3-glucuronideME757397270605---
eugenol sulfateEugenol sulfateME757418180632---
ferulic acid 4-sulfateFerulic acid 4-sulfateME7573946305574---
Fibrinopeptide B (1-13)**-ME757543----
furaneol sulfate-ME75746159815364---
gamma-CEHCgamma-CEHCME757329133098---
gamma-CEHC glucuronide*-ME757379121596235---
gamma-CEHC sulfate-ME757518----
genistein sulfate*-ME757493----
gentisateGentisic acidME7571833469C00628--
GlcNAc sulfate conjugate of C21H34O2 steroid**-ME757566----
glucuronide of C10H18O2 (1)*-ME757485----
glucuronide of C10H18O2 (3)*-ME757486----
glucuronide of C10H18O2 (7)*-ME757489----
glucuronide of C10H18O2 (8)*-ME757490----
glucuronide of piperine metabolite C17H21NO3 (3)*-ME757519----
glucuronide of piperine metabolite C17H21NO3 (4)*-ME757520----
glucuronide of piperine metabolite C17H21NO3 (5)*-ME757521----
glutamine conjugate of C6H10O2 (1)*-ME757499----
glutamine conjugate of C6H10O2 (2)*-ME757500----
glutamine conjugate of C7H12O2*-ME757498----
glycerolGlycerolME757165753C00116--
glycine conjugate of C10H12O2*-ME757496----
glycine conjugate of C10H14O2 (1)*-ME757497----
glycitein sulfate (2)-ME757547----
glyco-beta-muricholate**Glyco-beta-muricholic acidME757495----
glycochenodeoxycholateGlycochenodeoxycholic acidME75716712544C05466--
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME757440----
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME75745944263370---
glycocholateGlycocholic acidME75712210140C01921--
glycocholate glucuronide (1)-ME75745844263357---
glycocholate sulfate-ME757439----
glycocholenate sulfate*Glycocholenate sulfateME757308----
glycodeoxycholateGlycodeoxycholic acidME7571823035026C05464--
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME757441101602538---
glycohyocholateGlycohyocholic acidME75737071361462---
glycolithocholateGlycolithocholic acidME757214115245C15557--
glycolithocholate sulfate*Sulfoglycolithocholic acidME75728972222C11301--
glycoursodeoxycholateGlycoursodeoxycholic acidME75735012310288---
glycoursodeoxycholic acid sulfate (1)-ME757534----
guaiacol sulfateGuaiacol sulfateME75737722473---
heneicosapentaenoate (21:5n3)Heneicosapentaenoic acidME75747311998573---
HEPES-ME75720123831---
heptanoate (7:0)Heptylic acidME7571438094C17714--
hexadecadienoate (16:2n6)Hexadecadienoic acidME75746213932172---
hexadecanedioate (C16)Hexadecanedioic acidME75728310459C19615--
hexadecenedioate (C16:1-DC)*-ME757482----
hexanoylglutamineHexanoylglutamineME757294----
hexanoylglycine (C6)HexanoylglycineME75727399463---
hippurateHippuric acidME757177464C01586--
histidineHistidineME7571236274C00135--
homocarnosineHomocarnosineME757103-C00884--
homocitrullineHomocitrullineME75720865072C02427--
homovanillate (HVA)Homovanillic acidME7571071738C05582--
homovanillate sulfateHomovanillic acidME75734029981063---
hydroxy-CMPF*-ME757477----
hyocholateHyocholic acidME75724692805C17649--
indole-3-carboxylateIndole-3-carboxylic acidME75733669867C19837--
indoleacetateIndoleacetic acidME757212802C00954--
indoleacetylglutamineIndoleacetyl glutamineME75729325200879---
indolebutyrate3-Indolebutyric acidME7572588617C11284--
indolelactateIndolelactic acidME75718592904C02043--
indolepropionate3-Indolepropionic acidME7572173744---
indoxyl glucuronideInodxyl glucuronideME7574482733785---
inosineInosineME7571256021C00294--
isobutyrylglycine (C4)IsobutyrylglycineME75727810855600---
isoeugenol sulfate-ME757407122198202---
isoleucylglycineIle-GlyME757359342532---
isoursodeoxycholateIsoursodeoxycholic acidME757343127601C17662--
isoursodeoxycholate sulfate (1)-ME757558----
isovalerate (C5)Isovaleric acidME75719210430C08262--
isovalerylglycineIsovalerylglycineME757269546304---
I-urobilinogenMesobilirubinogenME7572369548718C05789--
kynurenateKynurenic acidME7571063845C01717--
laurate (12:0)Lauric acidME7571123893C02679--
linoleate (18:2n6)Linoleic acidME7571115280450C01595--
linolenate (18:3n3 or 3n6)Octadecatrienoic acidME757253-"C06426,C06427"--
linoleoyl ethanolamideLinoleoyl-EAME7574455283446---
lithocholate sulfate (1)Lithocholic acid sulfateME757535451489---
lithocholic acid sulfate (2)Lithocholic acid sulfateME757536----
malateMalic acidME757126525"C00149,C00711,C00497"--
malonateMalonic acidME757136867C00383--
maltol sulfate-ME757411----
margarate (17:0)Margaric acidME75714010465---
metabolonic lactone sulfate-ME757554----
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME75741210657183---
methyl glucopyranoside (alpha + beta)Methyl glucoseME757401----
methylnaphthyl sulfate (2)*-ME757488----
myristate (14:0)Myristic acidME75713311005C06424--
myristoleate (14:1n5)Myristoleic acidME7572335281119C08322--
N-(2-furoyl)glycine2-FuroylglycineME75721821863---
N6-acetyllysineN6-AcetyllysineME75729592832C02727--
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME757260161466---
N6-methyladenosineN6-MethyladenosineME757115102175---
N6-succinyladenosineSuccinyladenosineME757291165243---
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME75749195555---
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME757339193270---
N-acetylalliinN-AcetylalliinME757392----
N-acetyl-beta-alanineN-Acetyl-beta-alanineME75733076406C01073--
N-acetylisoleucineN-AcetylisoleucineME757243306109---
N-acetylleucineN-AcetylleucineME75714970912C02710--
N-acetylmethionineN-AcetylmethionineME757150448580C02712--
N-acetylphenylalanineN-AcetylphenylalanineME75724174839C03519--
N-acetyltryptophanN-Acetyl-tryptophanME757240-C03137--
N-acetyltyrosineN-AcetyltyrosineME75722068310---
N-acetylvalineN-AcetylvalineME75715166789---
N-carbamoylvaline-ME757503448879---
N-delta-acetylornithineN(5)-Acetyl-ornithineME7573879920500C00437--
N-formylmethionineN-FormylmethionineME757113439750C03145--
N-formylphenylalanineN-FormylphenylalanineME757405----
N-oleoylserineNASer 18:1(9Z)ME75747244190514---
N-oleoyltaurineN-Oleoyl taurineME7573586437033---
nonadecanoate (19:0)Nonadecenoic acidME75714112591C16535--
N-palmitoylglycineN-Palmitoyl glycineME757366151008---
N-palmitoylserineN-Palmitoyl serineME7574716453686---
N-palmitoyltaurineN-Palmitoyl taurineME75736014504290---
N-stearoyltaurineN-Stearoyl taurineME757361168274---
o-cresol sulfateo-Cresol sulfateME75730311615528---
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME757484----
octadecanedioate (C18)Octadecanedioic acidME75728470095---
octadecenedioate (C18:1-DC)-ME7574839543674---
oleate/vaccenate (18:1)Oleic acidME757447-"C21944,C08367,C01712,C00712"--
O-sulfo-L-tyrosineSulfotyrosineME757393514186---
oxalate (ethanedioate)Oxalic acidME757200971C00209--
palmitate (16:0)Palmitic acidME757127985C00249--
palmitoleate (16:1n7)Palmitoleic acidME757130445638C08362--
pantoate(R)-Pantoic acidME7573455289105C00522--
pantothenate (Vitamin B5)Pantothenic acidME7571486613C00864--
paraxanthineParaxanthineME7571844687C13747--
p-cresol glucuronide*P-Cresol glucuronideME757421154035---
p-cresol sulfatep-Cresol sulfateME7572484615423---
pelargonate (9:0)Pelargonic acidME7571288158C01601--
pentadecanoate (15:0)Pentadecylic acidME75714613849C16537--
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME75746874483C18142--
perfluorooctanoate (PFOA)Perfluorooctanoic acidME7574949554---
phenol glucuronidePhenyl glucuronideME75744487235---
phenol sulfatePhenyl hydrogen sulfateME75727274426C02180--
phenylacetatePhenyl acetateME757176999C07086--
phenylacetylglutamateN-Phenylacetylglutamic acidME75745411579826---
phenylacetylglutaminealpha-N-PhenylacetylglutamineME75726192258C04148--
phenylacetylglycinePhenylacetylglycineME75724268144C05598--
phenylacetylhistidine-ME757453----
phenylacetylmethioninePhenylacetylmethionineME757457----
phenylacetylserine-ME757467----
phenylacetyltaurine-ME7574492179693---
phenylacetylthreonine-ME757466----
phenyllactate (PLA)Phenyllactic acidME7571963848C05607--
phenylpyruvatePhenylpyruvic acidME757118997C00166--
phytanatePhytanic acidME75713126840C01607--
picolinoylglycinePicolinoylglycineME75755211788622---
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME757365123796---
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME757419-C05480--
pregnen-diol disulfate*-ME757311----
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME757328105074C18044--
pregnenetriol disulfate*-ME757551----
pregnenetriol sulfate*-ME757550129671303---
pregnenolone sulfatePregnenolone sulfateME757334105074C18044--
propionylglycine (C3)PropionylglycineME75722598681---
propyl 4-hydroxybenzoate sulfate-ME757427131838881---
pseudouridinePseudouridineME75713715047C02067--
pyridoxate4-Pyridoxic acidME7572236723C00847--
pyrralinePyrralineME75730014274616C21013--
riboflavin (Vitamin B2)RiboflavinME757132493570C00255--
S-(3-hydroxypropyl)mercapturic acid (HPMA)N-Acetyl-S-(3-hydroxypropyl)-cysteineME757389119083---
saccharinSaccharinME7572035143C12283--
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME757114439155C00021--
sebacate (C10-DC)Sebacic acidME7572345192C08277--
S-methylcysteineMethylcysteineME757346----
stearate (18:0)Stearic acidME7571295281C01530--
stearidonate (18:4n3)Stearidonic acidME7572375312508C16300--
succinimideSuccinimideME75736711439C07273--
sulfate*SulfateME7573445152822C00059--
sulfate of piperine metabolite C16H19NO3 (2)*-ME757522----
sulfate of piperine metabolite C16H19NO3 (3)*-ME757523----
sulfate of piperine metabolite C18H21NO3 (1)*-ME757524----
sulfate of piperine metabolite C18H21NO3 (3)*-ME757525----
syringol sulfate-ME757424----
tartarateTartaric acidME757181-"C00552,C02107,C00898"--
tartronate (hydroxymalonate)Hydroxypropanedioic acidME75719945C02287--
tauro-beta-muricholateTauro-beta-muricholic acidME757239----
taurochenodeoxycholateTaurochenodeoxycholic acidME757168387316C05465--
taurochenodeoxycholic acid 3-sulfateTaurochenodeoxycholic acid 3-sulfateME75754852931550---
taurocholateTaurocholic acidME757169-C05122--
taurocholenate sulfate*Taurocholenate sulfateME757309----
taurodeoxycholateTaurodeoxycholic acidME7571702733768C05463--
taurodeoxycholic acid 3-sulfateTaurodeoxycholic acid 3-sulfateME757442----
taurohyocholate*Taurohyocholic acidME75737111954195C15516--
taurolithocholateTaurolithocholic acidME757215439763C02592--
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME757290440071C03642--
tauroursodeoxycholateTauroursodeoxycholic acidME7573519848818---
tauroursodeoxycholic acid sulfate (1)-ME757538----
tetradecadienedioate (C14:2-DC)*-ME75754986018718---
tetradecadienoate (14:2)*Tetradecadienoic acidME7575025312409---
tetradecanedioate (C14)Tetradecanedioic acidME75728213185---
tetrahydrocortisol glucuronide-ME757580----
tetrahydrocortisol sulfate (1)-ME757539----
thymol sulfate-ME75729912456386C09908--
thyroxineThyroxineME7571535819C01829--
trans-2-hexenoylglycine-ME757479----
"trans-3,4-methyleneheptanoate"-ME757443----
tricarballylate1,2,3-Propanetricarboxylic acidME75717314925C19806--
tridecenedioate (C13:1-DC)*-ME757338----
tyramine O-sulfateTyramine-O-sulfateME757408153005---
umbelliferone sulfateUmbelliferone sulfateME757428129659---
uracilUracilME7571381174C00106--
urateUric acidME7571581175C00366--
uridineUridineME7571346029C00299--
Urolithin B glucuronide-ME757553----
ursodeoxycholateUrsodeoxycholic acidME75715931401C07880--
valerate (5:0)Valeric acidME7571607991C00803--
vanillactateVanillactic acidME757417160637---
vanillic acid glycine-ME7575553083688---
vanillic alcohol sulfate-ME757415----
vanillylmandelate (VMA)Vanillylmandelic acidME7571541245C05584--


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
"2,3-dihydroxyisovalerate"2,3-Dihydroxyisovaleric acidME757645677C04039--
2-hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME75767211427---
2-hydroxyadipate2-Hydroxyadipic acidME757627193530C02360--
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME757661-"C21297,C05984"--
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME75758711970C05852--
2-isopropylmalate2-Isopropylmalic acidME75761777C02504--
2-O-methylascorbic acid2-O-Methylascorbic acidME75765054726398---
2-oxoadipateOxoadipic acidME75758371C00322--
"2R,3R-dihydroxybutyrate"4-Deoxyerythronic acidME75764313120901---
"2S,3R-dihydroxybutyrate"4-Deoxythreonic acidME75764210964471---
"3,4-dihydroxybutyrate"3,4-Dihydroxybutyric acidME757637150929---
"3,5-dichloro-2,6-dihydroxybenzoic acid"3,5-Dichloro-2,6-dihydroxybenzoic acidME75767124721632---
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME757628188979---
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME757586-C03761--
3-hydroxyadipate3-Hydroxy-adipic acidME757654151913---
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME757589-"C03197,C01089"--
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME75758511966314"C01188,C06001"--
3-hydroxysebacate3-Hydroxysebacic acidME7576263017884---
3-hydroxysuberate3-Hydroxysuberic acidME75762522328017---
3-methyladipate3-Methyladipic acidME75763912292---
3-methylglutaconate3E-Methylglutaconic acidME7576461551553---
3'-sialyllactose3'-SialyllactoseME757651123914---
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME757648599C01127--
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME75763488299C16366--
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME757633108214C16365--
adipateAdipic acidME757622196C06104--
allantoinAllantoinME757607-"C02348,C01551,C02350"--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME75763199823---
alpha-ketobutyrate3-Methyl pyruvic acidME75759958C00109--
alpha-ketoglutaramate*2-Keto-glutaramic acidME75764448C00940--
alpha-ketoglutarate2-Oxoglutaric acidME75758451C00026--
arabinoseArabinoseME75760266308C00216--
arabitol/xylitolArabitolME757659-"C00379,C00542,C01904"--
arabonate/xylonateArabinonic acid/Xylonic acidME757658-"C00502,C05411"--
ascorbic acid 2-sulfate-ME75766354676864---
ascorbic acid 3-sulfate*-ME75766711425365---
azelate (C9-DC)Azelaic acidME7576112266C08261--
caffeic acid sulfate-ME75766421668705---
chiro-inositol1D-chiro-InositolME757641-C19891--
citraconate/glutaconateCitraconic acid/Glutaconic acidME757660-"C02226,C02214"--
cysteine s-sulfateCysteine-S-sulfateME757620115015C05824--
dihydrocaffeate sulfate (2)-ME757669----
dihydroorotate4,5-Dihydroorotic acidME757605648C00337--
erythritolErythritolME757621222285C00503--
erythronate*Erythronic acidME7576322781043---
ethylmalonateEthylmalonic acidME75761311756---
fructoseFructoseME7576032723872C00095--
fumarateFumaric acidME757590444972C00122--
gluconateGluconic acidME757591-C00257--
glucoseGlucoseME7575985793C00031--
glucuronateGlucuronic acidME757615-C16245--
glutarate (C5-DC)Glutaric acidME757592-C00489--
glycerateGlyceric acidME757609-C00258--
gulonate*Gulonic acidME757636152304C00800--
heptenedioate (C7:1-DC)*-ME757666----
hydantoin-5-propionateHydantoin-5-propionic acidME757647782C05565--
isocitric lactoneIsocitric acid lactoneME75766298259---
lactateLactic acidME757597612C00186--
lactoseLactoseME7575946134C01970--
lyxonateD-Lyxonic acidME757665----
maleateMaleic acidME757619444266C01384--
maltoseMaltoseME75760410991489C00208--
mannitol/sorbitolSorbitolME757638-"C00392,C00794"--
mannonate*Mannonic acidME7576523246006---
mannoseMannoseME757600-"C00159,C02209,C00936"--
methylmalonate (MMA)Methylmalonic acidME757595487C02170--
methylsuccinateMethylsuccinic acidME75761210349---
myo-inositolMyo-inositolME757593892C00137--
"N2,N5-diacetylornithine"N2,N5-DiacetylornithineME75765665977---
N-acetylalanineN-AcetylalanineME75761088064C02847--
N-acetylglutamineN-AcetylglutamineME757629182230C02716--
N-acetylhistidineN-AcetylhistidineME75763075619C02997--
N-acetylserineN-AcetylserineME75764065249---
N-acetyltaurineN-AcetyltaurineME757657159864---
N-formylanthranilic acidFormylanthranilic acidME757655101399C05653--
N-methyltaurineN-MethyltaurineME7576537882---
orotateOrotic acidME757596967C00295--
orotidineOrotidineME75763592751---
pentose acid*Valeric acidME7576737991C00803--
pyruvatePyruvic acidME7576011060C00022--
quinateQuinic acidME7576186508C00296--
ribitolRibitolME7576166912"C00379,C01904,C00474,C00532"--
ribonateRibonic acidME7576235460677C01685--
sedoheptuloseGlucoheptuloseME7576495459879C02076--
suberate (C8-DC)Suberic acidME75761410457C08278--
succinateSuccinic acidME7575881110C00042--
succinoyltaurine-ME757670----
sucroseSucroseME7576065988C00089--
threonateThreonic acidME757624-C01620--
vanillate glucuronide-ME757668----
xanthineXanthineME7576081188C00385--


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