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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME48528911966181C04322--
1-methylnicotinamide1-Methyl nicotinamideME485290457C02918--
3-phosphoglycerate3-Phosphoglyceric acidME485291724C00597--
quinolinateQuinolinic acidME4852921066C03722--
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME485293440120C03793--
N-acetylputrescineN-AcetylputrescineME485294122356C02714--
adenosine 5'-monophosphate (AMP)AMPME4852956083C00020--
5-methylthioadenosine (MTA)5'-MethylthioadenosineME485296439176C00170--
arginineArginineME4852976322C00062--
aspartateAspartic acidME4852985960C00049--
beta-alaninebeta-AlanineME485299239C00099--
choline phosphateCholine phosphateME4853001014C00588--
creatinineCreatinineME485301588C00791--
cysteinylglycineCys-GlyME485302439498C01419--
cystineCystineME48530367678C00491--
cystathionineCystathionineME485304439258C02291--
gamma-glutamylglutamategamma-Glutamylglutamic acidME48530592865C05282--
glycineGlycineME485306750C00037--
hypotaurineHypotaurineME485307107812C00519--
isoleucineIsoleucineME4853086306C06418,C00407,C16424--
citrullineCitrullineME4853099750C00327--
leucineLeucineME4853106106C00123--
lysineLysineME4853115962C00739,C00047--
methionineMethionineME4853126137C00073--
nicotinamideNiacinamideME485313936C00153--
ornithineOrnithineME4853146262C00077--
phenylalaninePhenylalanineME4853156140C00079--
phosphatePhosphoric acidME4853161061C00009--
prolineProlineME485317-C00148,C000763--
pyridoxalPyridoxalME4853181050C00250--
serineSerineME4853195951C00065--
serotoninSerotoninME4853205202C00780--
taurineTaurineME4853211123C00245--
ureaUreaME4853221176C00086--
trans-urocanateUrocanic acidME485323736715C00785--
glutamateGlutamic acidME48532433032C00025,C00217--
glutamineGlutamineME4853255961C00064--
threonineThreonineME4853266288C00188--
tryptophanTryptophanME4853276305C00078--
valineValineME4853286287C00183--
betaineBetaineME485329247C00719--
cysteineCysteineME4853305862C00097--
dimethylglycineDimethylglycineME485331673C03626--
alanineAlanineME4853325950C00041--
tyrosineTyrosineME4853336057C00082--
cytidineCytidineME4853346175C00475--
cotinineCotinineME485335408---
caffeineCaffeineME4853362519C07481--
adenineAdenineME485337190C00147--
cytosineCytosineME485338597C00380--
asparagineAsparagineME4853396267C00152--
trans-4-hydroxyprolinetrans-4-HydroxyprolineME4853405810C01157--
picolinatePicolinic acidME4853411018C10164--
sarcosineSarcosineME4853421088C00213--
pipecolatePipecolic acidME485343----
phosphoethanolaminePhosphoethanolamineME4853441015C00346--
3-ureidopropionateUreidopropionic acidME485345111C02642--
guanosineGuanosineME4853466802C00387--
gamma-glutamyltyrosinegamma-GlutamyltyrosineME48534794340---
3-aminoisobutyrate3-Aminoisobutanoic acidME48534864956C05145--
2-aminobutyrate2-Aminobutyric acidME48534980283C02356--
gamma-glutamylglutaminegamma-GlutamylglutamineME485350150914C05283--
N-acetylneuraminateN-Acetylneuraminic acidME485351439197C00270--
N-acetylglucosaminylasparagineAspartylglycosamineME485352123826C04540--
acetoacetateAcetoacetic acidME48535396C00164--
creatineCreatineME485354586C00300--
cys-gly, oxidizedCYS-GLY, oxidizedME485355333293---
gamma-glutamylhistidinegamma-GlutamylhistidineME4853567017195---
N1-methyladenosine1-MethyladenosineME48535727476C02494--
cholineCholineME485358305C00114--
anthranilate2-Aminobenzoic acidME485359227C00108--
gamma-glutamylleucinegamma-GlutamylleucineME485360151023---
3-methoxytyrosine3-MethoxytyrosineME4853619307---
carnitineCarnitineME485362288C00487,C00308--
methionine sulfoxideMethionine sulfoxideME485363158980C02989--
3-methylhistidine3-MethylhistidineME48536464969C01152--
5-hydroxylysine5-HydroxylysineME4853653032849C16741--
4-guanidinobutanoate4-Guanidinobutanoic acidME485366500C01035--
glycerol 3-phosphatesn-Glycero-3-phosphateME485367754C0093--
imidazole lactateImidazolelactic acidME485368793C05568--
kynurenineKynurenineME485369161166C00328--
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME48537071920C00670--
N-acetylglutamateN-Acetylglutamic acidME48537170914C00624--
N-alpha-acetylornithineN-AcetylornithineME485372439232C00437--
theobromineTheobromineME4853735429C07480--
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME485374111299---
hexanoylcarnitine (C6)CAR 6:0ME4853756426853---
theanineN(5)-Ethyl-glutamineME485376439378C01047--
acetylcarnitine (C2)CAR 2:0ME4853777045767C02571--
iminodiacetate (IDA)IminodiacetateME4853788897C19911--
morphineMorphineME4853795288826C01516--
homoarginineHomoarginineME4853809085C01924--
homocitrullineHomocitrullineME48538165072C02427--
N-acetylglycineN-AcetylglycineME48538210972---
butyrylcarnitine (C4)CAR 4:0ME485383439829C02862--
isobutyrylcarnitine (C4)CAR 3:0;2MeME485384168379---
trigonelline (N'-methylnicotinate)TrigonellineME4853855570C01004--
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME48538668662---
gamma-glutamylvalinegamma-GlutamylvalineME4853877015683---
2-methylbutyrylglycine2-MethylbutyrylglycineME485388193872---
propionylcarnitine (C3)CAR 3:0ME485389107738C03017--
pro-hydroxy-proPro-hydroxyProME48539011902893---
4-imidazoleacetateImidazoleacetic acidME48539196215C02835--
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME48539275810C05828--
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME4853937015685---
N-acetylarginineN-AcetylarginineME48539467427C02562--
N-acetylhistidineN-AcetylhistidineME48539575619C02997--
gamma-glutamylglycinegamma-GlutamylglycineME485396100099---
stachydrineStachydrineME485397115244C10172--
nicotinamide ribosideNicotinamide ribosideME485398439924C03150--
gamma-glutamylmethioninegamma-GlutamylmethionineME4853997009567---
gamma-glutamylthreoninegamma-GlutamylthreonineME48540076078708---
nicotinate ribonucleosideD-RibosylnicotinateME485401161233C05841--
pioglitazonePioglitazoneME4854024829D08378,C07675,DG00117--
N-acetylprolineN-Acetyl-prolineME485403322640---
metoprolol acid metabolite*-ME48540462936---
isovalerylcarnitine (C5)CAR 4:0;3MeME485405169235C20826--
7-methylxanthine7-MethylxanthineME48540668374C16353--
1-methylurate1-Methyluric acidME48540769726C16359--
N1-methylinosine1-MethylinosineME485408650095---
beta-guanidinopropanoate3-Guanidinopropanoic acidME48540967701C03065--
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME485410135501639---
phenylacetylglutaminealpha-N-PhenylacetylglutamineME48541192258C04148--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME4854123080690---
7-methylguanine7-MethylguanineME485413135398679C02242--
3-methylcytidine3-MethylcytidineME48541414237477---
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME48541522885096---
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME485416----
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME4854176426901---
malonylcarnitineCAR DC3:0ME48541822833583---
lidocaineLidocaineME4854193676D00358--
glutamine_degradant*-ME485420----
homostachydrine*(S)-HomostachydrineME485421441447C08283--
pivaloylcarnitine (C5)CAR 3:0;Me2ME485422126894---
glutarylcarnitine (C5-DC)CAR DC5:0ME48542371317118---
2-methylmalonylcarnitine (C4-DC)CAR DC3:0;2MeME48542453481628---
tiglylcarnitine (C5:1-DC)CAR DC5:1ME48542522833596---
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME485426188803C12270--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME485427123874C01233--
ectoineEctoineME485428126041C06231--
deoxycarnitine3-DehydroxycarnitineME48542922620C01181--
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME485430440569C05131--
tryptophan betaineLenticinME485431442106C09213--
pyrralinePyrralineME48543214274616C21013--
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME485433123800---
3-(cystein-S-yl)acetaminophen*3-(Cystein-S-yl)acetaminophenME485434171264---
dimethylarginine (SDMA + ADMA)DimethylarginineME485435-C21189,C03626--
N-methylalanineN-MethylalanineME4854364377C02721--
gamma-glutamylalaninegamma-GlutamylalanineME485437440103C03738--
succinylcarnitine (C4-DC)CAR DC4:0ME48543871464481---
N-methylprolineN-Methyl-prolineME485439643474---
2-hydroxyglutarate2-Hydroxyglutaric acidME48544043C02630--
N1,N12-diacetylspermineN1,N12-DiacetylspermineME485441132680C03413--
betonicineBetonicineME485442164642C08269--
ergothioneineErgothioneineME4854435351619C05570--
S-methylmethionineS-MethylmethionineME485444458C05319--
7-methylurate7-Methyluric acidME48544569160C16355--
carbamazepine 10,11-epoxideCarbamazepine epoxideME4854462555C07496--
metforminMetforminME4854474091C07151--
5-(galactosylhydroxy)-lysine5-(Galactosylhydroxy)-lysineME48544866995551---
cysteinylglycine disulfide*Cysteinylglycine disulfideME48544922833544---
formiminoglutamateFormiminoglutamic acidME485450439233C00439--
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME485451439902C03079--
gamma-carboxyglutamategamma-Carboxy-glutamic acidME48545240772---
hydroxycotininetrans-3-HydroxycotinineME485453107963---
atenololAtenololME4854542249D00235--
ranitidineRanitidineME4854553001055D00422--
pseudoephedrinePseudoephedrineME4854567028C02765--
argininate*Argininic acidME485457160437---
2-oxoarginine*2-OxoarginineME485458558C03771--
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME48545982142---
benzoylecgonineBenzoyl ecgonineME485460448223C10847--
quinineQuinineME4854613034034C06526--
leucylglycineLeu-GlyME48546279070---
valylleucineVal-LeuME485463352039---
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME4854642572---
trimethylamine N-oxideTrimethylamine N-oxideME4854651145C01104--
N6-methyllysineN(6)-MethyllysineME485466164795C02728--
imidazole propionateImidazole propanoateME48546770630---
alliinAlliinME48546887310C08265--
phenylalanylglycinePhe-GlyME4854696992304---
phenylalanylalaninePhe-AlaME4854705488196---
prolylglycinePro-GlyME4854716426709---
lanthionineLanthionineME48547298504---
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME48547353481617---
famotidineFamotidineME4854745702160D00318--
triamtereneTriamtereneME4854755546D00386--
cimetidineCimetidineME4854762756D00295,C06952--
O-desmethylvenlafaxineDesvenlafaxineME485477125017D07793--
dimethyl sulfoneDimethyl sulfoneME4854786213C11142--
guaifenesinGuaifenesinME4854793516D00337--
2-piperidinone2-PiperidinoneME48548012665---
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME48548153859791---
indolin-2-oneIndolin-2-oneME485482321710C12312--
S-allylcysteineS-AllylcysteineME48548398280---
2-aminoheptanoate2-Aminoheptanoic acidME485484227939---
benzoylcarnitine*BenzoylcarnitineME485485----
methionine sulfoneMethionine sulfoneME48548669961---
norbenzoylecgonine*BenzoylnorecgonineME485487415793---
N-acetylalliinN-AcetylalliinME485488----
N-methylpipecolateN-methyl pipecolic acidME48548911286529---
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME485490128145---
phenylacetylcarnitinePhenacetylcarnitineME485491101724840---
N-acetyl sulfapyridineN4-AcetylsulfapyridineME48549258638---
N-carbamoylalanineN-CarbamoylalanineME485493426409---
tramadolTramadolME48549433741C07153--
O-desmethyltramadolO-DesmethyltramadolME4854959838803---
O-desmethyltramadol glucuronideO-Desmethyltramadol glucuronideME48549629919005---
alpha-hydroxymetoprololalpha-HydroxymetoprololME485497114962---
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME485498-C01074--
adipoylcarnitine (C6-DC)CAR DC6:0ME48549971296139---
4-hydroxyphenylacetoylcarnitine-ME485500----
suberoylcarnitine (C8-DC)CAR DC8:0ME485501----
thioprolineThioprolineME48550293176---
2-methylserine2-MethylserineME48550394309C02115--
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME48550471464477---
lamotrigineLamotrigineME4855053878D00354--
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME485506----
2'-O-methylcytidine2'-O-MethylcytidineME485507150971---
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME48550865254---
metoclopramideMetoclopramideME4855094168C07868,D00726,DG00055--
trazadoneTrazodoneME4855105533C07156,D08626--
levetiracetamLevetiracetamME4855115284583C07841--
metronidazoleMetronidazoleME4855124173DG00006,C07203,D00409--
cephalexinCephalexinME48551327447C06895--
N,N,N-trimethyl-5-aminovaleratedelta-ValerobetaineME48551414274897---
(N(1) + N(8))-acetylspermidineAsparagineME485515-C01029,C00612--
3-hydroxystachydrine*3-HydroxystachydrineME48551646173781C10151--
hydroxyasparagine**HydroxyasparagineME48551715991574C20631--
3-hydroxybutyroylglycine**3-hydroxybutyroylglycineME485518----
N-methylhydroxyproline**N-Methyl-4-hydroxyprolineME4855199860390---
gamma-glutamylcitrulline*gamma-GlutamylcitrullineME485520----
3-amino-2-piperidone3-Amino-2-piperidoneME4855215200225---
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME485522193344C05545--
indoleacetoylcarnitine*-ME485523----
N-acetyl-isoputreanineN-AcetylisoputreanineME485524131802901---
enalaprilat*EnalaprilatME4855255462501C11720--
ranitidine N-oxide*Ranitidine N-oxideME48552662985---
N,N-dimethyl-5-aminovalerateN,N-Dimethyl-5-aminovaleric acidME485527----
dimethylguanidino valeric acid (DMGV)*DMGVME485528101535539---
5-hydroxymethyl-2-furoylcarnitine*-ME485529----


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
spermidineSpermidineME4856081102C00315--
biliverdinBiliverdinME4856095280353C00500--
cholesterolCholesterolME485610-C00187--
sphingosineSphingosineME4856115280335C00319--
deoxycholateDeoxycholic acidME485612-C04483--
sphinganineSphinganineME4856133126C00836--
retinol (vitamin A)RetinolME485614445354C00473--
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME4856155283573---
bilirubin (Z,Z)BilirubinME4856165280352C00486--
alpha-tocopherolalpha-TocopherolME48561786472C02477--
oleoyl ethanolamideOleoyl-EAME4856185283454---
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME4856195283564---
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME4856205283496---
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME48562146891795---
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME4856225287971---
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME4856236453725C00550--
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME4856246436017C13875--
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME4856255283565---
metoprololMetoprololME4856264171D02358--
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME485627----
sphingosine 1-phosphateSphingosine 1-phosphateME4856285283560C06124--
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME4856299547087---
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME485630452110D03585--
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME485631129657---
dextromethorphanDextromethorphanME4856325360696D03744,DG01078,C06947--
palmitoylcarnitine (C16)CAR 16:0ME485633461C02990--
beta-sitosterolSitosterolME485634222284C01753--
delta-tocopheroldelta-TocopherolME48563592094C14151--
octanoylcarnitine (C8)CAR 8:0ME485636-C02838--
decanoylcarnitine (C10)CAR 10:0ME48563710245190---
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME48563886554C04102--
piperinePiperineME485639638024C03882--
campesterolCampesterolME485640173183C01789--
myristoylcarnitine (C14)CAR 14:0ME4856416426854---
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME485642497300---
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME48564316081932C03916--
hemeHemeME48564426945C00032--
stearoylcarnitine (C18)CAR 18:0ME4856453006797---
laurylcarnitine (C12)CAR 12:0ME485646168381---
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME48564711988421C04100--
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME4856489547068---
oleoylcarnitine (C18:1)CAR 18:1(9Z)ME4856496441392---
1-palmitoleoyl-GPC (16:1)*LPC 16:1/0:0ME48565024779461---
nifedipineNifedipineME4856514485C07266,D00437--
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME48565224779476C05208--
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME4856539547069---
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME4856549547071---
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME48565552925130---
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME48565642607465---
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME4856579546742---
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME48565816219824---
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME4856599546747---
sphinganine-1-phosphateSphinganine 1-phosphateME485660520---
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*HexCer 18:1;O2/24:1ME485661----
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME485662----
carbamazepineCarbamazepineME4856632554C06868,D00252--
bilirubin (E,E)*BilirubinME485664129320511---
bilirubin (E,Z or Z,E)*BilirubinME4856655799469C00486--
beta-cryptoxanthinCryptoxanthinME4856665281235C08591--
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME4856676443882---
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME4856689939941---
stearoyl ethanolamideStearoyl-EAME48566927902---
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME48567057357170---
L-urobilinL-UrobilinME4856715280818C05793--
diphenhydramineDiphenhydramineME4856723100C06960--
solanidineSolanidineME48567365727C06543--
sertralineSertralineME48567468617C07246--
venlafaxineVenlafaxineME4856755656C07187--
quetiapineQuetiapineME4856765002D08456,DG00899,C07397--
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME48567724779481---
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME48567810917802---
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME48567914275396---
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME48568071433693---
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME485681----
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME485682----
doxycyclineDoxycyclineME48568354671203D00307--
linoleoylcarnitine (C18:2)*CAR 18:2ME4856846450015---
rosuvastatinRosuvastatinME485685446157D01915--
citalopram/escitalopramEscitalopramME485686146570D07913--
norfluoxetineSeproxetineME4856874541---
diltiazemDiltiazemME48568839186D07845--
verapamilVerapamilME4856892520D02356,C07188,DG00329--
margaroylcarnitine (C17)*CAR 17:0ME48569053477803---
retinalRetinalME485691638015C00376--
hydroxypioglitazone (M-IV)-ME4856924147757---
clotrimazoleClotrimazoleME4856932812D00282,C06922--
2-aminooctanoate2-Aminocaprylic acidME48569469522---
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME48569511433862---
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME485696----
1-linolenoyl-GPC (18:3)*LPC 18:3ME485697-C04100--
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME485698----
probenecidProbenecidME4856994911C07372--
sphingomyelin (d18:2/14:0, d18:1/14:1)*SM 32:2;O2ME485700----
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME48570144260126---
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME485702----
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME485703----
myristoleoylcarnitine (C14:1)*CAR 14:1ME485704129691961---
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME48570544260124---
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME485706----
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...SM 18:1;O2/20:2ME485707----
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME48570844260125---
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME485709----
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME485710----
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME485711----
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...SM 33:1;O2ME485712----
nonanoylcarnitine (C9)CAR 9:0ME48571391825642---
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME4857145288075---
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME48571524778825---
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME48571610747814C05208--
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME4857176441886---
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME48571824778876---
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME48571942607457---
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME48572046891763---
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME48572124778686C03889--
aripiprazoleAripiprazoleME48572260795C12564--
enalaprilEnalaprilME4857235388962C06977,D03769,DG00335--
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME4857249939965---
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME485725----
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME485726134757653---
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME48572785336023---
diclofenacDiclofenacME4857283033D07816,DG00441,C01690--
azithromycinAzithromycinME485729447043DG00606,D06390,C06838--
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME4857309546749---
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME4857315289133C05210--
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME4857326441487---
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME4857336443788---
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...-ME485734----
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME4857359546800C05210--
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME4857369546799---
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME4857379546798---
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME485738----
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME485739----
gamma-tocopherol/beta-tocopherolbeta-tocopherolME485740-C14152,C02483--
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME4857419547058---
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME48574252925126---
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME48574352925128---
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME48574434779384---
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME48574524779386---
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME485746----
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME485747----
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME48574844260132---
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME48574944260130---
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME4857505283572---
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME48575153477895---
cetirizineCetirizineME4857522678C07778--
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME48575344260138---
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME4857549543695---
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME485755131801744---
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME48575671296232---
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME48575752925127---
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME4857589546753---
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME48575924778955---
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME48576024778979C05208--
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME48576124778634---
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME48576252923882---
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME48576311146967---
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME485764----
1,2-dilinoleoyl-GPE (18:2/18:2)*PE 18:2/18:2ME4857659546812---
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME485766348281223---
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*PE 18:1/22:6ME48576752922113---
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME485768----
palmitoylcholinePalmitoylcholineME485769151731---
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME485770----
oleoylcholineOleoylcholineME48577159040790---
arachidonoylcholineArachidonoylcholineME485772122198216---
docosahexaenoylcholineDocosahexaenoylcholineME485773----
dihomo-linolenoyl-cholineDihomo-gamma-linolenoylcholineME485774----
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME48577552922731---
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1_18:3ME48577652922452---
palmitoleoylcarnitine (C16:1)*CAR 16:1ME48577771464547---
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*DG 16:0_18:1ME4857785282283C13861--
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME4857795282283C13861--
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME4857809543716---
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME4857819543716---
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME4857829543796---
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME4857839543796---
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*DG 16:0_20:4ME4857849543736---
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*DG 16:0_20:4ME4857859543736---
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME4857869543699---
diacylglycerol (14:0/18:1, 16:0/16:1) [1]*DG 32:1ME485787----
diacylglycerol (14:0/18:1, 16:0/16:1) [2]*DG 32:1ME485788----
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*DG 18:1_20:4ME4857899543786---
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME4857909543786---
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME485791----
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME4857929543729---
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*DG 18:0_20:4ME4857936438587C00165--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*DG 18:0_20:4ME4857946438587---
diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [...DG 30:1ME485795----
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME485796----
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME485797----
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME48579844260143---
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME485799----
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*HexCer 18:2;O2/22:0ME485800----
N-stearoyl-sphingadienine (d18:2/18:0)*Cer 18:2;O2/18:0ME485801132282053---
sphingadienineSphingadienineME4858026449795---
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]...DG 16:1_20:4ME485803----
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME485804----
N-palmitoyl-heptadecasphingosine (d17:1/16:0)*Cer 17:1;O2/16:0ME485805----
ceramide (d18:1/14:0, d16:1/16:0)*Cer 36:1;O2ME485806----
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME485807----
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME485808----
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME485809----
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*HexCer 41:2;O2ME485810----
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...HexCer 18:1;O2/24:1;OME485811----
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME485812----
stearoylcholine*StearoylcholineME48581390111---
linoleoylcholine*alpha-LinoleoylcholineME48581453481656---
1-cerotoyl-GPC (26:0)*LPC 26:0/0:0ME485815----
ondansetronOndansetronME4858164595C07325--
sphingomyelin (d18:0/20:0, d16:0/22:0)*SM 38:0;O2ME485817----
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME485818----
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME48581952931155---
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME485820----
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME485821----
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME485822----
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME485823----
sphingomyelin (d17:2/16:0, d18:2/15:0)*SM 33:2;O2ME485824----
linolenoylcarnitine (C18:3)*CAR 18:3ME485825----
behenoylcarnitine (C22)*CAR 22:0ME48582671464577---
arachidoylcarnitine (C20)*CAR 20:0ME48582753477833---
lignoceroylcarnitine (C24)*CAR 24:0ME485828----
cerotoylcarnitine (C26)*CAR 26:0ME48582953477828---
ximenoylcarnitine (C26:1)*CAR 26:1ME485830----
arachidonoylcarnitine (C20:4)CAR 20:4ME485831136212424---
eicosenoylcarnitine (C20:1)*CAR 20:1ME485832----
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME485833----
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME485834----
nervonoylcarnitine (C24:1)*CAR 24:1ME485835----
adrenoylcarnitine (C22:4)*CAR 22:4ME485836----
docosapentaenoylcarnitine (C22:5n3)*CAR 22:5ME48583771464594---
clindamycinClindamycinME485838446598DG00435,C06914,D00277--
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME485839----
carotene diol (1)Carotene diolME485840----
carotene diol (2)Carotene diolME485841----
carotene diol (3)Carotene diolME485842----
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME48584391825571---
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME485844129637446---
sphingomyelin (d17:1/14:0, d16:1/15:0)*SM 31:1;O2ME485845----
eicosenamide (20:1)*-ME4858465365374---
desmethylcitalopram*N-DesmethylcitalopramME485847162180C16608--
N-desalkylquetiapine*Cer 17:1;O2/16:0ME48584811369918---


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12,13-DiHOME12,13-DiHOMEME48585910236635C14829--
kynurenateKynurenic acidME4858603845C01717--
cholateCholic acidME485861221493C00695--
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME485862127C00642--
5,6-dihydrothymineDihydrothymineME48586393556C00906--
hypoxanthineHypoxanthineME485864-C00262--
9,10-DiHOME9,10-DiHOMEME4858659966640C14828--
linoleate (18:2n6)Linoleic acidME4858665280450C01595--
laurate (12:0)Lauric acidME4858673893C02679--
N-formylmethionineN-FormylmethionineME485868439750C03145--
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME485869439155C00021--
arachidonate (20:4n6)Arachidonic acidME485870444899C00219--
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME4858719378C03672--
phenylpyruvatePhenylpyruvic acidME485872997C00166--
corticosteroneCorticosteroneME4858735753C02140--
cortisoneCortisoneME485874222786C00762--
flavin adenine dinucleotide (FAD)FADME485875643975C00016--
glycocholateGlycocholic acidME48587610140C01921--
histidineHistidineME4858776274C00135--
cortisolCortisolME4858785754C00735--
inosineInosineME4858796021C00294--
malateMalic acidME485880525C00149,C00711,C00497--
palmitate (16:0)Palmitic acidME485881985C00249--
stearate (18:0)Stearic acidME4858825281C01530--
palmitoleate (16:1n7)Palmitoleic acidME485883445638C08362--
phytanatePhytanic acidME48588426840C01607--
lactateLactic acidME485885612C00186--
myristate (14:0)Myristic acidME48588611005C06424--
uridineUridineME4858876029C00299--
2'-deoxyuridineDeoxyuridineME48588813712C00526--
pseudouridinePseudouridineME48588915047C02067--
pyruvatePyruvic acidME4858901060C00022--
caprate (10:0)Capric acidME4858912969C01571--
margarate (17:0)Margaric acidME48589210465---
nonadecanoate (19:0)Nonadecylic acidME48589312591C16535--
arachidate (20:0)Arachidic acidME48589410467C06425--
heptanoate (7:0)Heptylic acidME4858958094C17714--
caproate (6:0)Caproic acidME4858968892C01585--
caprylate (8:0)Caprylic acidME485897379C06423--
pentadecanoate (15:0)Pentadecylic acidME48589813849C16537--
5-oxoprolinePyroglutamic acidME485899-C02237,C01879--
pantothenatePantothenic acidME4859006613C00864--
N-acetylleucineN-AcetylleucineME48590170912C02710--
N-acetylmethionineN-AcetylmethionineME485902448580C02712--
N-acetylvalineN-AcetylvalineME48590366789---
erucate (22:1n9)cis-Erucic acidME485904-C08316--
thyroxineThyroxineME4859055819C01829--
methyl indole-3-acetateIndole-3-methyl acetateME48590674706---
vanillylmandelate (VMA)Vanillylmandelic acidME4859071245C05584--
4-acetamidobutanoate4-Acetamidobutanoic acidME48590818189C02946--
chenodeoxycholateChenodeoxycholic acidME48590910133C02528--
citrateCitric acidME485910311C00158--
5,6-dihydrouracilDihydrouracilME485911649C00429--
urateUric acidME4859121175C00366--
ursodeoxycholateUrsodeoxycholic acidME48591331401C07880--
valerate (5:0)Valeric acidME4859147991C00803--
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME485915979C01179--
estrone 3-sulfateEstrone 3-sulfateME4859163001028C02538--
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME4859176439848C16525--
2-hydroxystearate2-Hydroxystearic acidME485918-C03042,C03045--
glycerolGlycerolME485919753C00116--
4-acetamidophenolAcetaminophenME4859201983C06804--
naproxenNaproxenME485921156391C01517--
topiramateTopiramateME4859225284627D00537--
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME48592369362---
ibuprofenIbuprofenME4859243672C01588--
oleamideOleamideME4859255283387C19670--
N-linoleoylglycineNA-Gly 18:2ME4859266433346---
glycochenodeoxycholateGlycochenodeoxycholic acidME48592712544C05466--
taurochenodeoxycholateTaurochenodeoxycholic acidME485928387316C05465--
taurocholateTaurocholic acidME485929-C05122--
taurodeoxycholateTaurodeoxycholic acidME4859302733768C05463--
2-hydroxyhippurate (salicylurate)Salicyluric acidME48593110253C07588--
azelate (C9-DC)Azelaic acidME4859322266C08261--
3-(N-acetyl-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME48593383967---
4-acetaminophen sulfateParacetamol sulfateME48593483939C06804--
eicosapentaenoate (EPA; 20:5n3)EPAME485935446284C06428--
benzoateBenzoic acidME485936243C00180--
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME485937107C05629--
phenylacetatePhenyl acetateME485938999C07086--
hippurateHippuric acidME485939464C01586--
xanthurenateXanthurenic acidME4859405699C02470--
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME485941-C03465,C06008,C00671--
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME485942----
anserineAnserineME485943112072C01262--
alpha-lipoateLipoic acidME4859446112C16241--
tartarateTartaric acidME485945-C00552,C02107,C00898--
xanthosineXanthosineME48594664959C01762--
glycodeoxycholateGlycodeoxycholic acidME4859473035026C05464--
theophyllineTheophyllineME4859482153C07130--
paraxanthineParaxanthineME4859494687C13747--
indolelactateIndolelactic acidME48595092904C02043--
3-indoxyl sulfateIndoxyl sulfateME48595110258---
4-methyl-2-oxopentanoateKetoleucineME48595270C00233--
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME48595364960C07326--
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME485954----
docosahexaenoate (DHA; 22:6n3)DHAME485955445580C06429--
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME485956-C03264--
isovalerate (i5:0)Isovaleric acidME48595710430C08262--
4-acetylphenol sulfate4-Acetylphenyl sulfateME4859584684006---
2-hydroxyoctanoate2-Hydroxyoctanoic acidME485959----
3-hydroxyoctanoate3-Hydroxyoctanoic acidME48596026613C20793--
phenyllactate (PLA)Phenyllactic acidME4859613848C05607--
valproateValproic acidME4859623121C07185--
N-acetylaspartate (NAA)N-Acetylaspartic acidME48596365065C01042--
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME48596412594C04555--
cysteine s-sulfateCysteine-S-sulfateME485965115015C05824--
tartronate (hydroxymalonate)Hydroxypropanedioic acidME48596645C02287--
oxalate (ethanedioate)Oxalic acidME485967971C00209--
saccharinSaccharinME4859685143C12283--
3-hydroxymyristate3-Hydroxytetradecanoic acidME48596916064---
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME4859705283468---
3-methyl-2-oxobutyrateKetoisovaleric acidME48597149C00141--
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME4859725319879---
2-linoleoylglycerol (18:2)MG 18:2ME4859735365676---
3-hydroxydecanoate3-Hydroxydecanoic acidME48597426612---
EDTAEDTAME4859756049C00284--
indoleacetateIndoleacetic acidME485976802C00954--
1-linoleoylglycerol (18:2)MG 18:2ME4859775283469---
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME485978123409---
1-methylhistidine1-MethylhistidineME48597992105C01152--
glycolithocholateGlycolithocholic acidME485980115245C15557--
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME485981159663---
indolepropionate3-Indolepropionic acidME4859823744---
N-(2-furoyl)glycine2-FuroylglycineME48598321863---
dodecanedioate (C12-DC)Dodecanedioic acidME48598412736C02678--
N-acetyltyrosineN-AcetyltyrosineME48598568310---
1,3-dimethylurate1,3-Dimethyluric acidME48598670346---
3-methylxanthine3-MethylxanthineME48598770639C16357--
3-hydroxylaurate3-Hydroxydodecanoic acidME48598894216---
pyridoxate4-Pyridoxic acidME4859896723C00847--
3-hydroxysebacate3-Hydroxysebacic acidME4859903017884---
5-hydroxyhexanoate5-Hydroxycaproic acidME485991170748---
propionylglycinePropionylglycineME48599298681---
butyrylglycineNA-Gly 4:0ME48599388412---
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME485994188979---
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME485995123979---
docosapentaenoate (n3 DPA; 22:5n3)DPAME4859966441454C16513--
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME4859975282807C16533--
adrenate (22:4n6)Adrenic acidME485998-C16527--
10-undecenoate (11:1n1)10-Hendecenoic acidME48599914891C13910--
myristoleate (14:1n5)Myristoleic acidME4860005281119C08322--
I-urobilinogenMesobilirubinogenME4860019548718C05789--
stearidonate (18:4n3)Stearidonic acidME4860025312508C16300--
5-dodecenoate (12:1n7)5-Dodecenoic acidME4860035312378---
tauro-beta-muricholateTauro-beta-muricholic acidME486004----
N-acetyltryptophanN-Acetyl-tryptophanME486005-C03137--
N-acetylphenylalanineN-AcetylphenylalanineME48600674839C03519--
N-acetylthreonineN-AcetylthreonineME486007152204---
phenylacetylglycinePhenylacetylglycineME48600868144C05598--
N-acetylisoleucineN-AcetylisoleucineME486009306109---
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME4860105312513---
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME4860115312435---
hyocholateHyocholic acidME48601292805C17649--
epiandrosterone sulfateEpiandrosteroneME4860139929317C04555--
bradykinin, des-arg(9)BradykininME486014105044C00306--
gamma-glutamyltryptophangamma-GlutamyltryptophanME4860153989307---
hydroxybupropionHydroxybupropionME486016446---
p-cresol sulfatep-Cresol sulfateME4860174615423---
fibrinopeptide A*-ME48601825081464---
fibrinopeptide A, des-ala(1)*-ME486019132993922---
fibrinopeptide A, phosphono-ser(3)*-ME486020132993923---
HXGXA*-ME486021132993924---
salicyluric glucuronide*Salicyluric glucuronideME486022121596205---
eicosenoate (20:1)cis-Gondoic acidME486023-C16526--
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME486024-C06426,C06427--
aconitate [cis or trans]cis-Aconitic acidME486025-C004174,C02341--
1,3,7-trimethylurate1,3,7-Trimethyluric acidME48602679437C16361--
3,7-dimethylurate3,7-Dimethyluric acidME48602783126C16360--
1,7-dimethylurate1,7-Dimethyluric acidME48602891611C16356--
1-methylxanthine1-MethylxanthineME48602980220C16358--
N4-acetylcytidineN4-AcetylcytidineME486030107461---
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME486031161466---
4-hydroxyhippurate4-Hydroxyhippuric acidME486032151012---
5,6-dihydrouridine5,6-DihydrouridineME48603394312---
1-arachidonylglycerol (20:4)MG 20:4ME486034-C13857--
5-methyluridine (ribothymidine)RibothymidineME486035445408---
isovalerylglycineIsovalerylglycineME486036546304---
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME486037----
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME48603869698C05842--
phenol sulfatePhenyl hydrogen sulfateME48603974426C02180--
hexanoylglycineHexanoylglycineME48604099463---
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME486041164623---
2-palmitoleoyl-GPC (16:1)*LPC 0:0/16:1ME486042122164832---
2-palmitoyl-GPC (16:0)*LPC 0:0/16:0ME48604315061532---
N-acetylcitrullineN-AcetylcitrullineME486044656979C15532,C02851--
2-hydroxypalmitate2-Hydroxypalmitic acidME486045----
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME4860466441454C16513--
isobutyrylglycineIsobutyrylglycineME48604710855600---
hydroquinone sulfateQuinol sulfateME486048161220C00530--
catechol sulfateCatechol sulfateME4860493083879---
7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME4860503081085C17337--
tetradecanedioate (C14-DC)Tetradecanedioic acidME48605113185---
hexadecanedioate (C16-DC)Hexadecanedioic acidME48605210459C19615--
octadecanedioate (C18-DC)Octadecanedioic acidME48605370095---
1-myristoylglycerol (14:0)MG 16:3ME48605410957631C01885--
3-(3-hydroxyphenyl)propionate3-(3-Hydroxyphenyl)propanoic acidME48605591C11457--
1-arachidonoyl-GPI (20:4)*LPI 20:4/0:0ME486056121596217---
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME48605771296207---
glycolithocholate sulfate*Sulfoglycolithocholic acidME48605872222C11301--
taurolithocholate 3-sulfateTaurolithocholic acid sulfateME486059440071C03642--
alpha-hydroxycaproate2-Hydroxyhexanoic acidME48606099824---
indoleacetylglutamineIndoleacetyl glutamineME48606125200879---
hexanoylglutamineHexanoylglutamineME486062----
N6-acetyllysineN6-AcetyllysineME48606392832C02727--
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME4860645280581C03242--
4-vinylphenol sulfate4-HydroxystyreneME4860656426766C05627--
4-ethylphenylsulfate4-EthylphenolME48606620822574C13637--
thymol sulfate-ME48606712456386C09908--
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME48606886289645---
1-linoleoyl-GPI (18:2)*LPI 18:2/0:0ME48606911124828---
desmethylnaproxenO-DesmethylnaproxenME486070162920---
desmethylnaproxen sulfateDesmethylnaproxen sulfateME486071184679---
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME48607286290013---
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME48607386290014---
2-methoxyacetaminophen glucuronide*2-Methoxyacetaminophen glucuronideME486074121596203---
o-cresol sulfateo-Cresol sulfateME48607511615528---
2-ethylphenylsulfate-ME486076----
4-allylphenol sulfate4-Allylphenol sulfateME48607766633409---
5alpha-androstan-3beta,17beta-diol disulfate5alpha-Androstane-3beta,17beta-diol disulfateME48607890186325C12525--
5alpha-pregnan-3beta,20alpha-diol disulfate5alpha-Pregnan-3beta,20alpha-diol disulfateME486079118703093---
glycocholenate sulfate*Glycocholenate sulfateME486080----
taurocholenate sulfate*Taurocholenate sulfateME486081----
androstenediol (3beta,17beta) disulfate (1)4-Androsten-3beta,17beta-diol disulfateME48608287120982C04295--
pregnenediol disulfate (C21H34O8S2)*-ME486083----
androstenediol (3beta,17beta) disulfate (2)4-Androsten-3beta,17beta-diol disulfateME48608487120982---
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME486085134595---
5alpha-androstan-3alpha,17alpha-diol monosulfate-ME486086----
5alpha-pregnan-3beta,20beta-diol monosulfate (1)-ME486087----
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)-ME486088----
5alpha-pregnan-diol disulfate5alpha-Pregnanediol disulfateME486089----
5alpha-androstan-3alpha,17beta-diol disulfate5alpha-Androstan-3alpha,17beta-diol disulfateME48609056639109---
5alpha-androstan-3alpha,17beta-diol monosulfate (1...-ME486091----
5alpha-androstan-3beta,17alpha-diol disulfate5alpha-Androstan-3beta,17alpha-diol disulfateME48609256639109---
5alpha-androstan-3beta,17beta-diol monosulfate (1)-ME486093----
5alpha-androstan-3beta,17beta-diol monosulfate (2)-ME486094----
androstenediol (3alpha, 17alpha) monosulfate (2)-ME486095----
androstenediol (3alpha, 17alpha) monosulfate (3)-ME486096----
androstenediol (3beta,17beta) monosulfate (1)-ME486097----
androstenediol (3beta,17beta) monosulfate (2)-ME486098----
4-hydroxycoumarin4-HydroxycoumarinME48609954682930C20414--
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME486100105074C18044--
gamma-CEHCgamma-CEHCME486101133098---
N-acetyl-beta-alanineN-Acetyl-beta-alanineME48610276406C01073--
3-hydroxyhippurate3-Hydroxyhippuric acidME486103450268---
16alpha-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone 3-sulfateME48610420848950---
pregnenolone sulfatePregnenolone sulfateME486105105074C18044--
andro steroid monosulfate C19H28O6S (1)*5alpha-Androstane-3alpha-ol-17-one sulfateME486106159663---
indole-3-carboxylateIndole-3-carboxylic acidME48610769867C19837--
13-HODE + 9-HODEHODEME486108-C14767,C14762--
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME486109193270---
alpha-CEHCalpha-CEHCME4861109943542---
cinnamoylglycineCinnamoylglycineME486111709625---
carbamazepine glucuronide*Carbamazepine N-glucuronideME48611283870---
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME4861133083779---
4-methylbenzenesulfonateToluene-4-sulfonic acidME48611485570C06677--
1-hydroxy-2-naphthalenecarboxylate1-Hydroxy-2-naphthoic acidME48611554675865C03203--
ibuprofen acyl glucuronide-ME486116163959---
allopurinol ribosideAllopurinol ribosideME486117135407110---
isoursodeoxycholateIsoursodeoxycholic acidME486118127601C17662--
sulfate*SulfateME4861195152822C00059--
omeprazoleOmeprazoleME4861204594C07324--
hydrochlorothiazideHydrochlorothiazideME4861213639C07041--
S-methylcysteineMethylcysteineME486122----
androsterone glucuronideAndrosterone 3-glucuronideME486123114833C11135--
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME4861245282726---
atorvastatinAtorvastatinME48612560822D07474,D02258,D00887--
celecoxibCelecoxibME4861262662D00567,C07589--
gabapentinGabapentinME4861273446D00332--
pantoprazolePantoprazoleME4861284679C11806--
ethyl glucuronideEthyl glucuronideME48612918392195---
glycoursodeoxycholateGlycoursodeoxycholic acidME48613012310288---
tauroursodeoxycholateTauroursodeoxycholic acidME4861319848818---
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME486132-C16995--
eicosanedioate (C20-DC)Eicosanedioic acidME48613375502---
docosadioate (C22-DC)Docosanedioic acidME4861347641C14240--
16-hydroxypalmitateJuniperic acidME48613510466C18218--
alpha-CEHC glucuronide*alpha-CEHC glucuronideME486136134819285---
N-oleoyltaurineN-Oleoyl taurineME4861376437033---
isoleucylglycineIle-GlyME486138342532---
N-stearoyltaurineN-Stearoyl taurineME486139168274---
beta-citrylglutamateBeta-Citryl-glutamic acidME486140189741C20775--
dihydroferulateDihydroferulic acidME48614114340---
fluvoxamineFluvoxamineME4861425324346D07984--
pregnanediol-3-glucuronidePregnanediol-3-glucuronideME486143123796---
(15:2)-anacardic acidAnacardic acidME48614411824131---
histidylalanineHis-AlaME486145101180---
valylglycineVal-GlyME486146136487---
N-palmitoylglycineN-Palmitoyl glycineME486147151008---
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME486148----
5-hydroxymethyl-2-furoic acidSumiki's acidME48614980642C20448--
fexofenadineFexofenadineME4861503348C06999--
N-acetylcarnosineN-AcetylcarnosineME4861519903482---
glycohyocholateGlycohyocholic acidME48615271361462---
taurohyocholate*Taurohyocholic acidME48615311954195C15516--
2-hydroxydecanoate2-Hydroxycapric acidME48615421488---
3-methyl catechol sulfate (2)3-Methylcatechol sulfateME486155----
4-methylcatechol sulfate4-Methylcatechol 1-sulfateME48615654104170---
3-methyl catechol sulfate (1)3-Methylcatechol sulfateME486157118431379---
2-hydroxyibuprofen2-HydroxyibuprofenME48615810443535---
carboxyibuprofenCarboxyibuprofenME48615910444113---
warfarinWarfarinME48616054678486DG00149,D08682,C01541--
ketopioglitazoneKetopioglitazoneME4861615201446---
3beta-hydroxy-5-cholenoate3beta-Hydroxy-5-cholenoic acidME48616292997---
guaiacol sulfateGuaiacol sulfateME48616322473---
furosemideFurosemideME4861643440D00331--
gamma-CEHC glucuronide*gamma-CEHC glucuronideME486165121596235---
2,8-quinolinediol sulfate2,8-Quinolinediol sulfateME486166----
2-aminophenol sulfate2-Aminophenyl sulfateME486167181670---
3-acetylphenol sulfate3-Acetylphenol sulfateME486168----
1-arachidonoyl-GPA (20:4)LPA 20:4/0:0ME48616942607498---
3-hydroxycotinine glucuronidetrans-3-Hydroxycotinine glucuronideME48617053477725---
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME4861713014237---
allopurinolAllopurinolME486172135401907D00224--
N-delta-acetylornithineN(5)-Acetyl-ornithineME4861739920500C00437--
acisogaAcisogaME486174129397---
N-formylanthranilic acidFormylanthranilic acidME486175101399C05653--
N2,N5-diacetylornithineN2,N5-DiacetylornithineME48617665977---
1H-indole-7-acetic acid1H-Indole-7-acetic acidME48617718356439---
3-methoxytyramine sulfate3-Methoxytyramine sulfateME48617854133459---
O-sulfo-tyrosineSulfotyrosineME486179514186---
ferulic acid 4-sulfateFerulic acid 4-sulfateME4861806305574---
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME486181187488---
5alpha-androstan-3alpha,17beta-diol 17-glucuronide-ME486182----
etiocholanolone glucuronideAndrosterone 3-glucuronideME486183270605---
17alpha-hydroxypregnanolone glucuronide-ME486184----
N-acetyltaurineN-AcetyltaurineME486185159864---
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME486186----
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME4861873300276---
N-linoleoyltaurine*N-Linoleoyl taurineME48618852922081---
9-hydroxystearate9-Hydroxy stearic acidME4861899570127---
methyl glucopyranoside (alpha + beta)Methyl glucoseME486190----
o-hydroxyatorvastatino-HydroxyatorvastatinME4861919808225---
alpha-CEHC sulfatealpha-CEHC sulfateME486192----
5alpha-androstan-3alpha,17beta-diol monosulfate (2...-ME486193121596225---
N-formylphenylalanineN-FormylphenylalanineME486194----
4-hydroxychlorothalonil4-HydroxychlorothalonilME48619534217---
isoeugenol sulfateIsoeugenol sulfateME486196122198202---
tyramine O-sulfateTyramine-O-sulfateME486197153005---
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME486198----
4-methylguaiacol sulfate2-Methoxy-4-methylphenol sulfateME486199----
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME48620010657183---
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME486201----
vanillic alcohol sulfateVanillyl alcohol 4-sulfateME486202----
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME48620353803570---
vanillactateVanillactic acidME486204160637---
eugenol sulfateEugenol sulfateME486205180632---
pregnanolone/allopregnanolone sulfate3alpha-Hydroxy-5beta-pregnane-20-oneME486206-C05480--
chlorthalidoneChlorthalidoneME4862072732D00272--
2-methoxyresorcinol sulfate2-Methylpyrogallol sulfateME486208----
candesartanCandesartanME4862092541C07468--
2-acetamidophenol sulfate2-Acetamidophenol sulfateME486210181671---
p-cresol glucuronide*P-Cresol glucuronideME486211154035---
acesulfameAcesulfameME48621236573---
valsartanValsartanME48621360846---
olmesartanOlmesartanME486214158781D05246--
6-hydroxyindole sulfate6-Hydroxyindole sulfateME486215122198196---
4-methoxyphenol sulfate4-Methoxyphenol sulfateME486216----
propyl 4-hydroxybenzoate sulfatePropylparaben sulfateME486217131838881---
ethylparaben sulfateEthylparaben sulfateME48621822908099---
umbelliferone sulfateUmbelliferone sulfateME486219129659---
dopamine 4-sulfateDopamine 4-sulfateME48622068517194C13691--
dopamine 3-O-sulfateDopamine 3-O-sulfateME486221122136C13690--
daidzein sulfate (2)Daidzein sulfateME48622212114465---
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME486223151492---
3beta-hydroxy-5-cholestenoateCholestenoic acidME486224165511C17333--
1,2,3-benzenetriol sulfate (2)Pyrogallol sulfateME486225----
3-methoxycatechol sulfate (1)3-Methoxycatechol sulfateME486226129892430---
3-methoxycatechol sulfate (2)3-Methoxycatechol sulfateME486227----
N-acetylkynurenine (2)N-AcetylkynurenineME48622873817779---
C-glycosyltryptophanC-GlycosyltryptophanME48622910981970---
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME486230----
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME486231101602538---
trans-3,4-methyleneheptanoate-ME486232----
phenol glucuronidePhenyl glucuronideME48623387235---
linoleoyl ethanolamideLinoleoyl-EAME4862345283446---
2-methylcitrate/homocitrateHomocitric acidME486235-C01251--
oleate/vaccenate (18:1)Oleic acidME486236-C21944,C08367,C01712,C00712--
3-hydroxystearate3-Hydroxystearic acidME4862375282907---
2-hydroxylaurate2-Hydroxylauric acidME48623897783---
pregabalinPregabalinME4862395486971---
rivaroxabanRivaroxabanME4862409875401---
1-palmitoleoylglycerol (16:1)*MG 16:1ME486241----
amoxicillinAmoxicillinME48624233613DG00520,C06827,D00229--
sitagliptinSitagliptinME4862434369359DG00118,D08516--
tadalafilTadalafilME486244110635---
5-hydroxyindole sulfate-ME486245----
phenylacetylglutamateN-Phenylacetylglutamic acidME48624611579826---
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME486247----
trans-3,4-methyleneheptanoylcarnitine-ME486248----
prednisolonePrednisoloneME4862495755D00472,C07369--
mycophenolic acidMycophenolic acidME486250446541C20380--
mycophenolic acid glucuronideMycophenolic acid glucuronideME4862516442661---
glycocholate glucuronide (1)Glycocholic acid glucuronideME48625244263357---
ursodeoxycholate sulfate (1)-ME486253----
glycochenodeoxycholate glucuronide (1)Glycochenodeoxycholic acid 3-glucuronideME48625444263370---
catechol glucuronideCatechol glucuronideME48625575124209---
sulfamethoxazoleSulfamethoxazoleME4862565329D00447--
lisinoprilLisinoprilME4862575362119DG00336,D00362--
hexadecadienoate (16:2n6)7Z,10Z-Hexadecadienoic acidME48625813932172---
4-acetamidobenzoate4-Acetamidobenzoic acidME4862596918889D03836--
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME486260301941---
2'-O-methyluridine2'-O-MethyluridineME486261102212---
naringenin 7-glucuronideNaringenin 7-glucuronideME486262----
2-hydroxybehenate2-Hydroxy behenic acidME486263193484---
2-hydroxynervonate*Hydroxynervonic acidME4862645312783---
N-palmitoylserineN-Palmitoyl serineME4862656453686---
N-oleoylserineNA-Ser 18:1(9Z)ME48626644190514---
nisinate (24:6n3)THAME48626711792612---
heneicosapentaenoate (21:5n3)6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acidME48626811998573---
fluconazoleFluconazoleME4862693365C07002--
3-hydroxyvalproate3-Hydroxyvalproic acidME486270134459C16651--
fibrinopeptide B-ME48627116132131---
THC carboxylic acidTHC carboxylic acidME486272107885---
THC carboxylic acid glucuronide-ME486273----
morphine-3-glucuronideMorphine-3-glucuronideME4862745484731C16643--
morphine-6-glucuronideMorphine-6-glucuronideME4862755360621C16578--
2-butenoylglycine2-ButenoylglycineME4862766303498---
hydroxy-CMPF*-ME486277----
3-hydroxyphenylacetoylglutamine-ME486278----
trans-2-hexenoylglycine-ME486279----
2-hydroxyarachidate*2-Hydroxyeicosanoic acidME4862805225199---
N-stearoylserine*N-Stearoyl serineME486281----
3-hydroxyoleate*-ME486282----
dodecenedioate (C12:1-DC)*Traumatic acidME4862835283028---
hexadecenedioate (C16:1-DC)*-ME486284----
octadecenedioate (C18:1-DC)Octadecenedioic acidME4862859543674---
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME486286----
glucuronide of C12H22O4 (1)*-ME486287----
glucuronide of C14H26O4 (1)*-ME486288----
glucuronide of C10H18O2 (1)*-ME486289----
glucuronide of C8H16O2 (1)-ME486290----
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME486291194501---
methylnaphthyl sulfate (1)*-ME486292----
methylnaphthyl sulfate (2)*-ME486293----
glucuronide of C14H26O4 (2)*-ME486294----
glucuronide of C10H18O2 (7)*-ME486295----
glucuronide of C10H18O2 (8)*-ME486296----
glucuronide of C14H22O4 (2)*-ME486297----
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME48629895555---
genistein sulfate*Genistein sulfateME486299----
perfluorooctanoate (PFOA)Perfluorooctanoic acidME4863009554---
glyco-alpha-muricholate**Gly-alphaMCAME486301----
glyco-beta-muricholate**Gly-betaMCAME486302----
3-formylindole1H-Indole-3-carboxaldehydeME48630310256C08493--
N4-acetylsulfamethoxazole*N-AcetylsulfamethoxazoleME48630465280D01601,C13061--
N4-acetyl-5-hydroxysulfamethoxazole*-ME486305----
resveratrol sulfate (1)*Resveratrol sulfateME48630625113755---
resveratrol disulfate (1)*Resveratrol disulfateME486307----
resveratrol disulfate (2)*Resveratrol disulfateME486308----
resveratrol glucuronide (1)*Resveratrol glucuronideME486309----
glycine conjugate of C10H12O2*-ME486310----
glycine conjugate of C10H14O2 (1)*-ME486311----
dihydroferulic acid sulfateDihydroferulic acid 4-sulfateME486312187489---
fibrinopeptide A (5-16)*-ME486313----
tetradecadienoate (14:2)*Tetradecadienoic acidME4863145312409---
3-hydroxyhippurate sulfate3-Hydroxyhippuric acid sulfateME486315186339---
6-bromotryptophan6-BromotryptophanME4863169856996---
delta-CEHCdelta-CEHCME48631735027084---
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME48631859100900---
1-carboxyethyltyrosine1-CarboxyethyltyrosineME486319----
1-carboxyethylvaline1-CarboxyethylvalineME486320----
1-carboxyethylleucine1-CarboxyethylleucineME486321----
1-carboxyethylisoleucine1-CarboxyethylisoleucineME486322----
dodecadienoate (12:2)*Dodecadienoic acidME48632325480---
delta-CEHC glucuronide-ME486324----
glucuronide of piperine metabolite C17H21NO3 (3)*-ME486325----
glucuronide of piperine metabolite C17H21NO3 (4)*-ME486326----
glucuronide of piperine metabolite C17H21NO3 (5)*-ME486327----
sulfate of piperine metabolite C16H19NO3 (2)*-ME486328----
sulfate of piperine metabolite C16H19NO3 (3)*-ME486329----
sulfate of piperine metabolite C18H21NO3 (1)*-ME486330----
sulfate of piperine metabolite C18H21NO3 (3)*-ME486331----
N-acetyltheanine-ME486332----
2-naphthol sulfate2-Naphthyl sulfateME48633374428---
(2,4 or 2,5)-dimethylphenol sulfateDimethylphenol sulfateME486334----
cholic acid glucuronideCholic acid glucuronideME48633521252309---
2-hydroxyfluorene sulfate-ME486336----
4-methylhexanoylglutamine-ME486337----
sulfociprofloxacin*SulfociprofloxacinME486338128781---
4-hydroxy duloxetine glucuronide*4-Hydroxy-duloxetine glucuronideME48633929981512---
ezetimibe glucuronide*Ezetimibe glucuronideME4863409894653---
dihydrocaffeate sulfate (2)Dihydrocaffeic acid 3-sulfateME486341----
lithocholate sulfate (1)Lithocholic acid sulfateME486342451489---
lithocholic acid sulfate (2)Lithocholic acid sulfateME486343----
3-(methylthio)acetaminophen sulfate*-ME486344----
tauroursodeoxycholic acid sulfate (1)-ME486345----
3-ethylcatechol sulfate (1)3-Ethylcatechol sulfateME486346----
3-ethylcatechol sulfate (2)3-Ethylcatechol sulfateME486347----
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME486348----
fibrinopeptide B (1-13)**-ME486349----


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
alpha-ketoglutarate2-Oxoglutaric acidME48659851C00026--
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME48659911966314C01188,C06001--
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME486600-C03761--
succinateSuccinic acidME4866011110C00042--
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME486602-C03197,C01089--
fumarateFumaric acidME486603444972C00122--
gluconateGluconic acidME486604-C00257--
glutarate (C5-DC)Glutaric acidME486605-C00489--
guanidinoacetateGuanidoacetic acidME486606763C00581--
myo-inositolMyo-inositolME486607892C00137--
2-aminoadipatealpha-Aminoadipic acidME48660892136C00956--
lactoseLactoseME4866096134C01970--
methylmalonate (MMA)Methylmalonic acidME486610487C02170--
orotateOrotic acidME486611967C00295--
salicylateSalicylic acidME486612338C00805--
glucoseGlucoseME4866135793C00031--
alpha-ketobutyrate3-Methyl pyruvic acidME48661458C00109--
mannoseMannoseME486615-C00159,C02209,C00936--
uracilUracilME4866161174C00106--
xyloseXyloseME486617135191C00181--
arabinoseArabinoseME48661866308C00216--
fructoseFructoseME4866192723872C00095--
maltoseMaltoseME48662010991489C00208--
dihydroorotate4,5-Dihydroorotic acidME486621648C00337--
sucroseSucroseME4866225988C00089--
allantoinAllantoinME486623-C02348,C01551,C02350--
xanthineXanthineME4866241188C00385--
glycerateGlyceric acidME486625-C00258--
N-acetylalanineN-AcetylalanineME48662688064C02847--
methylsuccinateMethylsuccinic acidME48662710349---
ethylmalonateEthylmalonic acidME48662811756---
suberate (C8-DC)Suberic acidME48662910457C08278--
pimelate (C7-DC)Pimelic acidME486630385C02656--
glucuronateGlucuronic acidME486631-C16245--
allo-threonineAllothreonineME48663299289C05519--
2-isopropylmalate2-Isopropylmalic acidME48663377C02504--
quinateQuinic acidME4866346508C00296--
gentisateGentisic acidME4866353469C00628--
maleateMaleic acidME486636444266C01384--
erythritolErythritolME486637222285C00503--
ribonateRibonic acidME4866385460677C01685--
threonateThreonic acidME486639-C01620--
galactonateGalactonic acidME486640-C00880,C15930--
sebacate (C10-DC)Sebacic acidME4866415192C08277--
N-acetylglutamineN-AcetylglutamineME486642182230C02716--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME48664399823---
erythronate*Erythronic acidME4866442781043---
5-acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME486645108214C16365--
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME48664688299C16366--
orotidineOrotidineME48664792751---
gulonate*Gulonic acidME486648152304C00800--
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME48664954575349C03274--
N2-acetyllysineN(2)-AcetyllysineME48665092907C12989--
mannitol/sorbitolSorbitolME486651-C00392,C00794--
3-methyladipate3-Methyladipic acidME48665212292---
N-acetylserineN-AcetylserineME48665365249---
chiro-inositol1D-chiro-InositolME486654-C19891--
1-stearoyl-2-oleoyl-GPG (18:0/18:1)PG 18:0/18:1ME48665524779551---
alpha-ketoglutaramate*2-Keto-glutaramic acidME48665648C00940--
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME486657677C04039--
3-methylglutaconate3E-Methylglutaconic acidME4866581551553---
oxypurinolOxypurinolME486659135398752D02365--
hydantoin-5-propionateHydantoin-5-propionic acidME486660782C05565--
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME486661599C01127--
mannonate*Mannonic acidME4866623246006---
succinimideSuccinimideME48666311439C07273--
N-methyltaurineN-MethyltaurineME4866647882---
3-hydroxyadipate3-Hydroxy-adipic acidME486665151913---
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME486666161227C00204--
arabonate/xylonateArabinonic acid/Xylonic acidME486667-C00502,C05411--
arabitol/xylitolArabitolME486668-C00379,C00542,C01904--
citraconate/glutaconateCitraconic acid/Glutaconic acidME486669-C02226,C02214--
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME486670-C21297,C05984--
1-linoleoyl-GPA (18:2)*LPA 18:2/0:0ME486671----
isocitric lactoneIsocitric acid lactoneME48667298259---
caffeic acid sulfateCaffeic acid sulfateME48667321668705---
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME48667474483C18142--
dexlansoprazoleDexlansoprazoleME4866759578005D08903--
lyxonateD-Lyxonic acidME486676----
heptenedioate (C7:1-DC)*Heptenedioic acidME486677----
carboxyibuprofen glucuronide*Carboxyibuprofen glucuronideME486678135390721---
fibrinopeptide B (1-12)**-ME48667916132131---
fibrinopeptide B (1-11)**-ME48668016132131---


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