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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
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME91620075810C05828--
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME9162506451814---
1-methylhistidine1-MethylhistidineME91619092105C01152--
1-methylnicotinamide1-Methyl nicotinamideME916091457C02918--
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME916233440569C05131--
2-aminoadipatealpha-Aminoadipic acidME91611692136C00956--
2-aminobutyrate2-Aminobutyric acidME91615780283C02356--
2-aminoheptanoate2-Aminoheptanoic acidME916266227939---
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME9162216426901---
2-methylserine2-MethylserineME91627794309C02115--
2'-O-methylcytidine2'-O-MethylcytidineME916279150971---
2-oxoarginine*2-OxoarginineME916249558C03771--
2-pyrrolidinone2-PyrrolidinoneME91619312025---
3-amino-2-piperidone3-Amino-2-piperidoneME9162915200225---
3-aminoisobutyrate3-Aminoisobutanoic acidME91615664956C05145--
3-formylindole1H-Indole-3-carboxaldehydeME91628810256C08493--
3-hydroxybutyroylglycine**3-hydroxybutyroylglycineME916286----
3-hydroxyhexanoylcarnitine (1)CAR 6:0;3OHME916300----
3-hydroxyoctanoylcarnitine (1)CAR 8:0;3OHME916304----
3-hydroxyoctanoylcarnitine (2)CAR 8:0;3OHME916305----
3-hydroxystachydrine*3-HydroxystachydrineME91628446173781C10151--
3-methoxytyrosine3-MethoxytyrosineME9161689307---
3-methylcytidine3-MethylcytidineME91621914237477---
3-methylglutarylcarnitine (2)CAR DC5:0;3MeME916270128145---
3-methylhistidine3-MethylhistidineME91617364969C01152--
3-phosphoglycerate3-Phosphoglyceric acidME916093724C00597--
3-ureidopropionateUreidopropionic acidME916152111C02642--
4-acetamidobutanoate4-Acetamidobutanoic acidME91615518189C02946--
4-acetamidophenolAcetaminophenME9161691983C06804--
4-guanidinobutanoate4-Guanidinobutanoic acidME916175500C01035--
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME916245439902C03079--
4-imidazoleacetateImidazoleacetic acidME91619996215C02835--
"5,6-dihydrothymine"DihydrothymineME91609493556C00906--
5-(galactosylhydroxy)-lysine5-(Galactosylhydroxy)-lysineME91624266995551---
5-hydroxylysine5-HydroxylysineME9161743032849C16741--
5-methylthioadenosine (MTA)5'-MethylthioadenosineME916100439176C00170--
6-bromotryptophan6-BromotryptophanME9162949856996---
7-methylguanine7-MethylguanineME916218135398679C02242--
7-methylxanthine7-MethylxanthineME91621368374C16353--
acetylcarnitine (C2)CAR 2:0ME9161847045767C02571--
adenineAdenineME916145190C00147--
adenosine 5'-diphosphate (ADP)ADPME9160986022C00008--
adenosine 5'-monophosphate (AMP)AMPME9160996083C00020--
adipoylcarnitine (C6-DC)CAR DC6:0ME91627571296139---
alanineAlanineME9161405950C00041--
alliinAlliinME91625787310C08265--
anthranilate2-Aminobenzoic acidME916166227C00108--
argininate*Argininic acidME916248160437---
arginineArginineME9161016322C00062--
asparagineAsparagineME9161466267C00152--
aspartateAspartic acidME9161025960C00049--
beta-alaninebeta-AlanineME916103239C00099--
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME916227----
betaineBetaineME916137247C00719--
butyrylcarnitine (C4)CAR 4:0ME916191439829C02862--
caffeineCaffeineME9161442519C07481--
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME9162532572---
carnitineCarnitineME916170288"C00487,C00308"--
carnosineCarnosineME916104439224C00386--
C-glycosyltryptophanC-GlycosyltryptophanME91627310981970---
cholineCholineME916165305C00114--
choline phosphateCholine phosphateME9161051014C00588--
citrullineCitrullineME9161179750C00327--
cortisoneCortisoneME916106222786C00762--
cotinineCotinineME916143408---
creatineCreatineME916161586C00300--
creatinineCreatinineME916107588C00791--
"cys-gly, oxidized"CYS-GLY, oxidizedME916162333293---
cystathionineCystathionineME916109439258C02291--
cysteineCysteineME9161385862C00097--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME9162173080690---
cysteine s-sulfateCysteine-S-sulfateME916185115015C05824--
cysteine sulfinic acid3-Sulfino-alanineME916240109C00606--
cysteinylglycineCys-GlyME916108439498C01419--
cysteinylglycine disulfide*Cysteinylglycine disulfideME91624322833544---
cytidineCytidineME9161426175C00475--
deoxycarnitine3-DehydroxycarnitineME91623222620C01181--
dimethylarginine (SDMA + ADMA)DimethylarginineME916236-"C21189,C03626"--
dimethylglycineDimethylglycineME916139673C03626--
dimethyl sulfoneDimethyl sulfoneME9162636213C11142--
ectoineEctoineME916231126041C06231--
ergothioneineErgothioneineME9162415351619C05570--
ethyl beta-glucopyranosideEthyl glucosideME916293121667---
formiminoglutamateFormiminoglutamic acidME916244439233C00439--
fructosyllysineFructosyllysineME9162689839580---
gamma-glutamylalaninegamma-GlutamylalanineME916237440103C03738--
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME91628065254---
gamma-glutamylcitrulline*gamma-GlutamylcitrullineME916289----
gamma-glutamylglutamategamma-Glutamylglutamic acidME91611092865C05282--
gamma-glutamylglutaminegamma-GlutamylglutamineME916158150914C05283--
gamma-glutamylglycinegamma-GlutamylglycineME916207100099---
gamma-glutamylhistidinegamma-GlutamylhistidineME9161637017195---
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME91622022885096---
gamma-glutamylleucinegamma-GlutamylleucineME916167151023---
gamma-glutamylmethioninegamma-GlutamylmethionineME9162097009567---
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME916182111299---
gamma-glutamylthreoninegamma-GlutamylthreonineME91621076078708---
gamma-glutamyltyrosinegamma-GlutamyltyrosineME91615494340---
gamma-glutamylvalinegamma-GlutamylvalineME9161967015683---
glutamateGlutamic acidME91613233032"C00025,C00217"--
"glutamate, gamma-methyl ester"Glutamic acid, gamma-methyl esterME91619568662---
glutamineGlutamineME9161335961C00064--
glutamine conjugate of C7H12O2*-ME916290----
glutamine_degradant*-ME916224----
glutarylcarnitine (C5-DC)CAR DC5:0ME91622671317118---
glycerol 3-phosphatesn-Glycero-3-phosphateME916176754C0093--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME916230123874C01233--
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME91617971920C00670--
glycineGlycineME916111750C00037--
guanidinoacetateGuanidoacetic acidME916112763C00581--
hexanoylcarnitine (C6)CAR 6:0ME9161836426853---
histidine betaine (hercynine)*HercynineME9162623083620---
homoarginineHomoarginineME9161879085C01924--
homocitrullineHomocitrullineME91618865072C02427--
homostachydrine*(S)-HomostachydrineME916225441447C08283--
hydroxyasparagine**HydroxyasparagineME91628515991574C20631--
"hydroxy-N6,N6,N6-trimethyllysine*"3-Hydroxy-N6,N6,N6-trimethyl-lysineME916301----
imidazole lactateImidazolelactic acidME916177793C05568--
imidazole propionateImidazole propanoateME91625670630---
iminodiacetate (IDA)Iminodiacetic acidME9161868897C19911--
indolin-2-oneIndolin-2-oneME916264321710C12312--
inosineInosineME9161136021C00294--
inosine 5'-monophosphate (IMP)IMPME9161148582C00130--
isobutyrylcarnitine (C4)CAR 3:0;2MeME916192168379---
isoleucineIsoleucineME9161156306"C06418,C00407,C16424"--
isovalerylcarnitine (C5)CAR 4:0;3MeME916212169235C20826--
kynurenateKynurenic acidME9160923845C01717--
kynurenineKynurenineME916178161166C00328--
lanthionineLanthionineME91625998504---
leucineLeucineME9161186106C00123--
leucylglycineLeu-GlyME91625279070---
lidocaineLidocaineME9162223676D00358--
lysineLysineME9161195962"C00739,C00047"--
methionineMethionineME9161206137C00073--
methionine sulfoneMethionine sulfoneME91626769961---
methionine sulfoxideMethionine sulfoxideME916172158980C02989--
N1-methyladenosine1-MethyladenosineME91616427476C02494--
N1-methylinosine1-MethylinosineME916214650095---
(N(1) + N(8))-acetylspermidineAsparagineME916283-"C01029,C00612"--
"N2-acetyl,N6-methyllysine"N2-Acetyl,N6-methyllysineME916298----
"N2-acetyl,N6,N6-dimethyllysine"N2-Acetyl,N6,N6-dimethyllysineME916297----
"N2,N2-dimethylguanosine"N2,N2-DimethylguanosineME916215135501639---
N4-acetylcytidineN4-AcetylcytidineME916216107461---
N6-methyllysineN(6)-MethyllysineME916255164795C02728--
"N6,N6-dimethyllysine"N(6),N(6)-Dimethyl-lysineME916295193344C05545--
"N6,N6,N6-trimethyllysine"N-6-TrimethyllysineME916096440120C03793--
N-acetyl-2-aminoadipateN-Acetyl-2-aminoadipic acidME916303443992C12986--
N-acetylarginineN-AcetylarginineME91620467427C02562--
N-acetylasparagineN-AcetylasparagineME91620399715---
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME916229188803C12270--
N-acetylcarnosineN-AcetylcarnosineME9162619903482---
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME916274-C01074--
N-acetylglucosaminylasparagineAspartylglycosamineME916160123826C04540--
N-acetylglycineN-AcetylglycineME91618910972---
N-acetylhistidineN-AcetylhistidineME91620675619C02997--
N-acetylisoleucineN-AcetylisoleucineME916205306109---
N-acetyl-isoputreanineN-AcetylisoputreanineME916296131802901---
N-acetylleucineN-AcetylleucineME91615370912C02710--
N-acetylneuraminateN-Acetylneuraminic acidME916159439197C00270--
N-acetylphenylalanineN-AcetylphenylalanineME91620274839C03519--
N-acetylprolineN-Acetyl-prolineME916211322640---
N-acetylputrescineN-AcetylputrescineME916097122356C02714--
N-acetyl sulfapyridineN4-AcetylsulfapyridineME91627258638---
N-acetyltryptophanN-Acetyl-tryptophanME916201-C03137--
N-ethylglycinexylidideMonoethylglycinexylidideME91622324415C16561--
nicotinamideNiacinamideME916121936C00153--
N-methylpipecolateN-methyl pipecolic acidME91626911286529---
N-methylprolineN-Methyl-prolineME916239643474---
"N,N-dimethylalanine"N,N-DimethylalanineME9162925488191---
"N,N-dimethyl-pro-pro"-ME916306----
"N,N,N-trimethyl-5-aminovalerate"delta-ValerobetaineME91628214274897---
"N,N,N-trimethyl-alanylproline betaine (TMAP)"N,N,N-Trimethyl-alanylproline betaineME916287----
ondansetronOndansetronME9162814595C07325--
ornithineOrnithineME9161226262C00077--
oxindolylalanineOxyindolylalanineME91630720977764---
phenylacetylcarnitine-ME916271101724840---
phenylalaninePhenylalanineME9161236140C00079--
phosphatePhosphoric acidME9161241061C00009--
phosphoethanolaminePhosphoethanolamineME9161511015C00346--
picolinatePicolinic acidME9161481018C10164--
pipecolatePipecolic acidME916150----
pro-hydroxy-proPro-hydroxyProME91619811902893---
prolineProlineME916125-"C00148,C000763"--
prolylglycinePro-GlyME9162586426709---
propionylcarnitine (C3)CAR 3:0ME916197107738C03017--
pseudoephedrinePseudoephedrineME9162477028C02765--
pyridoxalPyridoxalME9161261050C00250--
pyrralinePyrralineME91623514274616C21013--
quinolinateQuinolinic acidME9160951066C03722--
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME91626053481617---
ranitidineRanitidineME9162463001055D00422--
ranitidine N-oxide*Ranitidine N-oxideME91629962985---
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME91608911966181C04322--
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME91627871464477---
S-allylcysteineS-AllylcysteineME91626598280---
sarcosineSarcosineME9161491088C00213--
S-carboxyethylcysteineS-(2-Carboxyethyl)cysteineME916302----
serineSerineME9161275951C00065--
serotoninSerotoninME9161285202C00780--
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME91625182142---
spermidineSpermidineME9160901102C00315--
stachydrineStachydrineME916208115244C10172--
succinylcarnitine (C4-DC)CAR DC4:0ME91623871464481---
taurineTaurineME9161291123C00245--
theobromineTheobromineME9161815429C07480--
theophyllineTheophyllineME9161802153C07130--
thioprolineThioprolineME91627693176---
threonineThreonineME9161346288C00188--
tiglylcarnitine (C5:1-DC)CAR DC5:1ME91622822833596---
trans-4-hydroxyprolinetrans-4-HydroxyprolineME9161475810C01157--
trans-urocanateUrocanic acidME916131736715C00785--
trigonelline (N'-methylnicotinate)TrigonellineME9161945570C01004--
trimethylamine N-oxideTrimethylamine N-oxideME9162541145C01104--
tryptophanTryptophanME9161356305C00078--
tryptophan betaineLenticinME916234442106C09213--
tyrosineTyrosineME9161416057C00082--
ureaUreaME9161301176C00086--
valineValineME9161366287C00183--
X-11787-ME916308----
X-11795-ME916309----
X-12096-ME916310----
X-12100-ME916311----
X-12101-ME916312----
X-12112-ME916313----
X-12462-ME916314----
X-12680-ME916315----
X-12798-ME916316----
X-13507-ME916317----
X-13684-ME916318----
X-14056-ME916319----
X-15461-ME916320----
X-15503-ME916321----
X-16397-ME916322----
X-16580-ME916323----
X-22162-ME916324----
X-23583-ME916325----
X-23587-ME916326----
X-23593-ME916327----
X-23636-ME916328----
X-23639-ME916329----
X-23644-ME916330----
X-23654-ME916331----
X-23659-ME916332----
X-23665-ME916333----
X-23739-ME916334----
X-23780-ME916335----
X-24241-ME916336----
X-24243-ME916337----
X-24422-ME916338----
X-24456-ME916339----
X-24473-ME916340----
X-24475-ME916341----
X-24518-ME916342----
X-24728-ME916343----
X-24736-ME916344----
X-24812-ME916345----
X-24970-ME916346----
X-25172-ME916347----
X-25265-ME916348----
X-25267-ME916349----
X-25271-ME916350----
X-25343-ME916351----
X-25419-ME916352----
X-25420-ME916353----
X-25422-ME916354----
X-25519-ME916355----
X-25520-ME916356----
X-25790-ME916357----
X-25810-ME916358----
X-25948-ME916359----
X-25957-ME916360----
X-26058-ME916361----
X-26097-ME916362----
xanthurenateXanthurenic acidME9161715699C02470--


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
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1ME916442----
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4ME916484----
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4ME91648052925126---
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2ME91648324779386---
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2ME91649552925127---
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1ME91648234779384---
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1ME91648152925128---
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1ME91650152923882---
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0ME91650211146967---
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0ME91642810917802---
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0ME916431----
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4ME9164799547058---
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2ME916509----
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1ME91646242607457---
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0ME916432----
"1,2-dilinoleoyl-GPC (18:2/18:2)"PC 18:2/18:2ME9164575288075---
"1,2-dilinoleoyl-GPE (18:2/18:2)*"PE 18:2/18:2ME9165069546812---
"1,2-dipalmitoyl-GPC (16:0/16:0)"PC 16:0/16:0ME916385452110D03585--
"1,2-dipalmitoyl-GPE (16:0/16:0)*"PE 16:0/16:0ME916504445468---
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME91640624779476C05208--
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME91641042607465---
1-cerotoyl-GPC (26:0)*LPC 26:0/0:0ME916563----
1'-hydroxymidazolam-ME916388107917---
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME91642724779481---
1-linolenoyl-GPC (18:3)*LPC 18:3/0:0ME916441-C04100--
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME91649924778979C05208--
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*PE 18:2/20:4ME916508348279332---
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME91651752922731---
1-linoleoyl-GPA (18:2)*LPA 18:2/0:0ME916497----
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME91640211988421C04100--
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME91640952925130---
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME91650024778634---
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME916386129657---
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME916507348281223---
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME91649824778955---
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME9164969546753---
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME91639816081932C03916--
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME9164089547071---
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1/18:3ME91651852922452---
1-palmitoleoyl-GPC (16:1)*LPC 16:1/0:0ME91640524779461---
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME91645910747814C05208--
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME9164749546800C05210--
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...PC 16:0/20:3ME916473----
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME9164606441886---
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME9164759546799---
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME9163785287971---
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME9164139546747---
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME91637746891795---
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME9163806436017C13875--
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME9163765283496---
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME91649471296232---
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME9164726443788---
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME91646424778686C03889--
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*PE 16:0/18:0ME9165055326793---
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME91639386554C04102--
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME9164079547069---
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME91641216219824---
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME9164705289133C05210--
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME916382----
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0/20:4ME91641424779545---
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME91646124778876---
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME9164769546798---
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME9164716441487---
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME9164699546749---
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME916477----
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME91645824778825---
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME9164119546742---
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME916503----
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME9163849547087---
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME916397497300---
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME9164039547068---
2-aminooctanoate2-Aminocaprylic acidME91643869522---
3-hydroxydecanoylcarnitineCAR 10:0;3OHME916593121454166---
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME916588129637446---
4-cholesten-3-oneCholestenoneME91642391477C00599--
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME91658791825571---
7-dehydrocholesterol7-DehydrocholesterolME916364439423C01164--
adrenoylcarnitine (C22:4)*CAR 22:4ME916583----
alpha-tocopherolalpha-TocopherolME91637286472C02477--
arachidonoylcarnitine (C20:4)CAR 20:4ME916578136212424---
arachidonoylcholineArachidonoylcholineME916514122198216---
arachidonoyl ethanolamideArachidonoyl-EAME9163745281969C11695--
arachidoylcarnitine (C20)*CAR 20:0ME91657453477833---
behenoylcarnitine (C22)*CAR 22:0ME91657371464577---
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME91648644260132---
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME91645144260125---
beta-cryptoxanthinCryptoxanthinME9164205281235C08591--
beta-sitosterolSitosterolME916389222284C01753--
"bilirubin (E,E)*"BilirubinME916418129320511---
"bilirubin (E,Z or Z,E)*"BilirubinME9164195799469C00486--
"bilirubin (Z,Z)"BilirubinME9163705280352C00486--
biliverdinBiliverdinME9163635280353C00500--
campesterolCampesterolME916395173183C01789--
carotene diol (1)Carotene diolME916584----
carotene diol (2)Carotene diolME916585----
carotene diol (3)Carotene diolME916586----
"ceramide (d16:1/24:1, d18:1/22:1)*"Cer 40:2;O2ME916552----
"ceramide (d18:1/14:0, d16:1/16:0)*"Cer 36:1;O2ME916553----
"ceramide (d18:1/17:0, d17:1/18:0)*"Cer 35:1;O2ME916554----
"ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*"Cer 38:1;O2ME916560----
"ceramide (d18:2/24:1, d18:1/24:2)*"Cer 42:3;O2ME916555----
cerotoylcarnitine (C26)*CAR 26:0ME91657653477828---
cetirizineCetirizineME9164902678C07778--
cholesterolCholesterolME916365-C00187--
"cis-3,4-methyleneheptanoylcarnitine"-ME916595----
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME91642557357170---
citalopram/escitalopramEscitalopramME916435146570D07913--
decanoylcarnitine (C10)CAR 10:0ME91639210245190---
De(carboxymethoxy) cetirizine acetic acid-ME916596----
delta-tocopheroldelta-TocopherolME91639092094C14151--
desmethylcitalopram*N-DesmethylcitalopramME916590162180C16608--
"diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*"DG 34:3ME916535----
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME916581----
dihomo-linolenoyl-cholineDihomo-gamma-linolenoylcholineME916516----
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME916580----
docosahexaenoylcholineDocosahexaenoylcholineME916515----
doxycyclineDoxycyclineME91643354671203D00307--
eicosenoylcarnitine (C20:1)*CAR 20:1ME916579----
gamma-tocopherol/beta-tocopherolbeta-tocopherolME916478-"C14152,C02483"--
"glycosyl ceramide (d18:1/23:1, d17:1/24:1)*"HexCer 41:2;O2ME916558----
"glycosyl ceramide (d18:2/24:1, d18:1/24:2)*"HexCer 42:3;O2ME916556----
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...-ME916559----
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*HexCer 18:2;O2/22:0ME916546----
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*HexCer 18:1;O2/24:1ME916416----
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME916512----
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME916417----
glycosyl-N-tricosanoyl-sphingadienine (d18:2/23:0)...-ME916557----
hemeHemeME91639926945C00032--
hexadecasphingosine (d16:1)*C16 SphingosineME91655114767871---
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**-ME916591----
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*LacCer 18:1;O2/22:0ME91654444260143---
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*LacCer 18:1;O2/24:1ME916543----
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME91648953477895---
laurylcarnitine (C12)CAR 12:0ME916401168381---
lignoceroylcarnitine (C24)*CAR 24:0ME916575----
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME916454----
linolenoylcarnitine (C18:3)*CAR 18:3ME916572----
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME9165249543796---
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME9165259543796---
linoleoylcarnitine (C18:2)*CAR 18:2ME9164346450015---
linoleoylcholine*alpha-LinoleoylcholineME91656253481656---
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...DG 18:2_22:6ME9165299543899---
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]...DG 18:2_22:6ME9165309543899---
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*DG 18:2_18:3ME91652714275409---
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME9165289543737---
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME9165369543729---
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME9165379543729---
margaroylcarnitine (C17)*CAR 17:0ME91643653477803---
myristoleoylcarnitine (C14:1)*CAR 14:1ME916447129691961---
myristoylcarnitine (C14)CAR 14:0ME9163966426854---
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME91649144260138---
myristoyl-linoleoyl-glycerol (14:0/18:2) [2]*DG 14:0_18:2ME91655014275352---
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME916545----
nervonoylcarnitine (C24:1)*CAR 24:1ME916582----
nonanoylcarnitine (C9)CAR 9:0ME91645691825642---
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME916541----
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME9164885283572---
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME9163755283564---
N-stearoyl-sphingadienine (d18:2/18:0)*Cer 18:2;O2/18:0ME916547132282053---
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME9163695283573---
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME9163815283565---
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME916446----
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME916445----
octanoylcarnitine (C8)CAR 8:0ME916391-C02838--
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*DG 18:1_20:4ME9165329543786---
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME9165339543786---
oleoylcarnitine (C18:1)CAR 18:1(9Z)ME9164046441392---
oleoylcholineOleoylcholineME91651359040790---
oleoyl ethanolamideOleoyl-EAME9163735283454---
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*-ME91653814275403---
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME91642914275396---
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME91643071433693---
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME9165229543716---
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME9165239543716---
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]...DG 16:1_20:4ME916549----
palmitoleoylcarnitine (C16:1)*CAR 16:1ME91651971464547---
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME9165319543699---
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*DG 16:0_20:4ME9165269543736---
palmitoylcarnitine (C16)CAR 16:0ME916387461C02990--
palmitoylcholinePalmitoylcholineME916510151731---
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME9164659939965---
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]...DG 16:0_22:6ME9165429543827---
palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*DG 16:0_18:3ME916534----
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME9164929543695---
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME916493131801744---
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*DG 16:0_18:1ME9165205282283C13861--
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME9165215282283C13861--
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME9164229939941---
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...CerPE 18:1;O2/16:0ME916594----
piperinePiperineME916394638024C03882--
prednisolonePrednisoloneME9165115755"D00472,C07369"--
retinalRetinalME916437638015C00376--
retinol (vitamin A)RetinolME916368445354C00473--
sertralineSertralineME91642668617C07246--
sphingadienineSphingadienineME9165486449795---
sphinganineSphinganineME9163673126C00836--
sphinganine-1-phosphateSphinganine 1-phosphateME916415520---
"sphingomyelin (d17:1/14:0, d16:1/15:0)*"SM 31:1;O2ME916589----
"sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0...SM 33:1;O2ME916455----
"sphingomyelin (d17:2/16:0, d18:2/15:0)*"SM 33:2;O2ME916571----
"sphingomyelin (d18:0/18:0, d19:0/17:0)*"SM 36:0;O2ME91648744260130---
"sphingomyelin (d18:0/20:0, d16:0/22:0)*"SM 38:0;O2ME916564----
"sphingomyelin (d18:1/14:0, d16:1/16:0)*"SM 32:1;O2ME91643911433862---
"sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0...SM 35:1;O2ME91646346891763---
"sphingomyelin (d18:1/18:1, d18:2/18:0)"SM 36:2;O2ME9164216443882---
"sphingomyelin (d18:1/19:0, d19:1/18:0)*"SM 37:1;O2ME916565----
"sphingomyelin (d18:1/20:0, d16:1/22:0)*"SM 38:1;O2ME91644844260124---
"sphingomyelin (d18:1/20:1, d18:2/20:0)*"SM 38:2;O2ME916449----
"sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2...-ME916450----
"sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0...SM 39:1;O2ME916485----
"sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1...SM 40:2;O2ME916452----
"sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2...SM 40:3;O2ME916453----
"sphingomyelin (d18:1/24:1, d18:2/24:0)*"SM 42:2;O2ME91644444260126---
"sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0...SM 43:1;O2ME916570----
"sphingomyelin (d18:2/14:0, d18:1/14:1)*"SM 32:2;O2ME916443----
"sphingomyelin (d18:2/16:0, d18:1/16:1)*"SM 34:2;O2ME916440----
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME91656652931155---
"sphingomyelin (d18:2/21:0, d16:2/23:0)*"SM 39:2;O2ME916568----
"sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1...SM 41:2;O2ME916467134757653---
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME916569----
"sphingomyelin (d18:2/24:1, d18:1/24:2)*"SM 42:3;O2ME91646885336023---
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME916567----
sphingosineSphingosineME9163665280335C00319--
sphingosine 1-phosphateSphingosine 1-phosphateME9163835283560C06124--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*DG 18:0_20:4ME9165396438587C00165--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*DG 18:0_20:4ME9165406438587---
stearoylcarnitine (C18)CAR 18:0ME9164003006797---
stearoylcholine*StearoylcholineME91656190111---
stearoyl ethanolamideStearoyl-EAME91642427902---
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME9163796453725C00550--
thyroxineThyroxineME9163715819C01829--
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME916466----
undecenoylcarnitine (C11:1)CAR 11:1ME916592----
X-13431-ME916597----
X-17335-ME916598----
X-23641-ME916599----
X-23680-ME916600----
X-23782-ME916601----
X-26106-ME916602----
X-26108-ME916603----
ximenoylcarnitine (C26:1)*CAR 26:1ME916577----


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
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME9167045312435---
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME9167035312513---
10-undecenoate (11:1n1)10-Hendecenoic acidME91669814891C13910--
"12,13-DiHOME"12,13-DiHOMEME91660410236635C14829--
13-HODE + 9-HODEHODEME916765-"C14767,C14762"--
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME916775-C16995--
"1,5-anhydroglucitol (1,5-AG)"1,5-AnhydrosorbitolME91666664960C07326--
16alpha-hydroxy DHEA 3-sulfate3beta,16alpha-Dihydroxyandrostenone 3-sulfateME91676320848950---
16-hydroxypalmitateJuniperic acidME91677710466C18218--
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME9167673083779---
"1,7-dimethylurate"1,7-Dimethyluric acidME91671191611C16356--
1-arachidonoyl-GPI (20:4)*LPI 20:4/0:0ME916733121596217---
1-arachidonylglycerol (20:4)MG 20:4ME916716-C13857--
1-linolenoylglycerol (18:3)MG 18:3ME91671753480978---
1-linoleoylglycerol (18:2)MG 18:2ME9166875283469---
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME916814----
1-linoleoyl-GPI (18:2)*LPI 18:2/0:0ME91674211124828---
1-methylxanthine1-MethylxanthineME91671280220C16358--
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME9166805283468---
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME916792----
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME91674186289645---
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME91667514900---
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME91673471296207---
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME916667----
21-hydroxypregnenolone disulfate21-HydroxypregnenoloneME916756134595---
"2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*"2,3-Dihydroxy-5-methylthio-4-pentenoic acidME916833----
"2,4-di-tert-butylphenol"2,4-Ditert-butylphenolME916849----
2-aminophenol sulfate2-Aminophenyl sulfateME916788181670---
2-butenoylglycine2-ButenoylglycineME9168176303498---
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME916722164623---
2-hydroxyacetaminophen sulfate*2-Hydroxyacetaminophen sulfateME91674586290013---
2-hydroxydecanoate2-Hydroxycapric acidME91678221488---
2-hydroxyhippurate (salicylurate)Salicyluric acidME91665310253C07588--
2-hydroxyibuprofen2-HydroxyibuprofenME91678510443535---
2-hydroxylaurate2-Hydroxylauric acidME91681297783---
2-hydroxynervonate*Hydroxynervonic acidME9168165312783---
2-hydroxyoctanoate2-Hydroxyoctanoic acidME916671----
2-hydroxypalmitate2-Hydroxypalmitic acidME916724----
2-hydroxyphytanate*2-Hydroxyphytanic acidME916789189026---
2-hydroxystearate2-Hydroxystearic acidME916644-"C03042,C03045"--
2-linoleoylglycerol (18:2)MG 18:2ME9166835365676---
2-methoxyacetaminophen glucuronide*2-Methoxyacetaminophen glucuronideME916747121596203---
2-methoxyacetaminophen sulfate*2-Methoxyacetaminophen sulfateME91674686290014---
2-naphthol sulfate2-Naphthyl sulfateME91682974428---
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME9166825319879---
2-O-methylascorbic acid2-O-Methylascorbic acidME91677854726398---
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME916841----
2-palmitoyl-GPC (16:0)*LPC 0:0/16:0ME91672315061532---
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME916781----
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME9166129378C03672--
"3beta,7alpha-dihydroxy-5-cholestenoate"3beta,7alpha-Dihydroxy-5-cholestenoic acidME9167293081084C17335--
3beta-hydroxy-5-cholestenoateCholestenoic acidME916806165511C17333--
"3-bromo-5-chloro-2,6-dihydroxybenzoic acid*"3-Bromo-5-chloro-2,6-dihydroxybenzoic acidME916845134581543---
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acidME916824194501---
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME916694123979---
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME916693188979---
3-hydroxydecanoate3-Hydroxydecanoic acidME91668426612---
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME91671916663321---
3-hydroxylaurate3-Hydroxydodecanoic acidME91669294216---
3-hydroxymyristate3-Hydroxytetradecanoic acidME91667916064---
3-hydroxyoctanoate3-Hydroxyoctanoic acidME91667226613C20793--
3-hydroxyoleate*-ME916819----
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME916796----
3-indoxyl sulfateIndoxyl sulfateME91666410258---
3-methoxycatechol sulfate (1)3-Methoxycatechol sulfateME916807129892430---
3-methyl-2-oxobutyrateKetoisovaleric acidME91668149C00141--
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME916659-"C03465,C06008,C00671"--
3-methyl catechol sulfate (1)3-Methylcatechol sulfateME916784118431379---
3-(methylthio)acetaminophen sulfate*-ME916832----
3-methylxanthine3-MethylxanthineME91669170639C16357--
3-(N-acetyl-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME91665483967---
4-acetamidophenylglucuronidep-AcetamidophenylglucuronideME916660----
4-acetaminophen sulfateParacetamol sulfateME91665583939C06804--
4-allylcatechol sulfate4-Allylcatechol sulfateME916830----
4-allylphenol sulfate4-Allylphenol sulfateME91674866633409---
4-chlorobenzoic acid4-Chlorobenzoic acidME9168486318C02370--
4-ethylphenylsulfate4-EthylphenylsulfateME91673920822574C13637--
4-hydroxychlorothalonil4-HydroxychlorothalonilME91679534217---
4-hydroxyhippurate4-Hydroxyhippuric acidME916714151012---
4-methyl-2-oxopentanoateKetoleucineME91666570C00233--
4-methylcatechol sulfate4-Methylcatechol 1-sulfateME91678354104170---
4-vinylguaiacol sulfate4-Vinylguaiacol sulfateME91679953803570---
4-vinylphenol sulfate4-HydroxystyreneME9167386426766C05627--
"5,6-dihydrouridine"5,6-DihydrouridineME91671594312---
"5alpha-androstan-3beta,17beta-diol disulfate"5alpha-Androstane-3beta,17beta-diol disulfateME91674990186325C12525--
"5alpha-pregnan-3beta,20alpha-diol disulfate"5alpha-Pregnan-3beta,20alpha-diol disulfateME916750118703093---
"5alpha-pregnan-3beta,20alpha-diol monosulfate (2)...-ME916757----
5-dodecenoate (12:1n7)5-Dodecenoic acidME9167015312378---
5-hydroxy-2-methylpyridine sulfate-ME916834----
5-methyluridine (ribothymidine)RibothymidineME916718445408---
5-oxoprolinePyroglutamic acidME916635-"C02237,C01879"--
6-hydroxyindole sulfate6-Hydroxyindole sulfateME916801122198196---
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME9167903014237---
7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME9167283081085C17337--
"9,10-DiHOME"9,10-DiHOMEME9166079966640C14828--
9-hydroxystearate9-Hydroxy stearic acidME9167939570127---
aconitate [cis or trans]cis-Aconitic acidME916710-"C004174,C02341"--
adrenate (22:4n6)Adrenic acidME916697-C16527--
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME916669-C03264--
amoxicillinAmoxicillinME91681333613"DG00520,C06827,D00229"--
"androstenediol (3alpha, 17alpha) monosulfate (3)"-ME916758----
"androstenediol (3beta,17beta) disulfate (1)"4-Androsten-3beta,17beta-diol disulfateME91675387120982C04295--
"androstenediol (3beta,17beta) disulfate (2)"4-Androsten-3beta,17beta-diol disulfateME91675587120982---
"androstenediol (3beta,17beta) monosulfate (1)"-ME916759----
androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME916688159663---
arachidate (20:0)Arachidic acidME91663010467C06425--
arachidonate (20:4n6)Arachidonic acidME916611444899C00219--
benzoateBenzoic acidME916657243C00180--
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME91664769362---
"bilirubin degradation product, C17H18N2O4 (1)**"-ME916850----
"bilirubin degradation product, C17H18N2O4 (2)**"-ME916851----
"bilirubin degradation product, C17H18N2O4 (3)**"-ME916852----
"bilirubin degradation product, C17H20N2O5 (1)**"-ME916853----
"bilirubin degradation product, C17H20N2O5 (2)**"-ME916854----
"branched-chain, straight-chain, or cyclopropyl 10...Decenoic acidME916843----
"branched-chain, straight-chain, or cyclopropyl 10...-ME916844----
"branched-chain, straight-chain, or cyclopropyl 12...-ME916846----
butyrate/isobutyrate (4:0)Butyric acidME916642264C00246--
caprate (10:0)Capric acidME9166272969C01571--
caproate (6:0)Caproic acidME9166328892C01585--
caprylate (8:0)Caprylic acidME916633379C06423--
carboxyibuprofenCarboxyibuprofenME91678610444113---
catechol sulfateCatechol sulfateME9167273083879---
celecoxibCelecoxibME9167722662"D00567,C07589"--
chenodeoxycholateChenodeoxycholic acidME91663910133C02528--
cholateCholic acidME916605221493C00695--
"cis-3,4-methyleneheptanoate"-ME916847----
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME9167715282726---
citalopram propionate*Citalopram propionic acidME91683110403174C16610--
citrateCitric acidME916640311C00158--
cortisolCortisolME9166165754C00735--
dehydroepiandrosterone sulfate (DHEA-S)Dehydroepiandrosterone sulfateME91667412594C04555--
deoxycholateDeoxycholic acidME916613-C04483--
desmethylnaproxenO-DesmethylnaproxenME916743162920---
desmethylnaproxen sulfateDesmethylnaproxen sulfateME916744184679---
dibutyl sulfosuccinateDibutyl sulfosuccinic acidME916842423891---
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME9166436439848C16525--
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME9167375280581C03242--
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME9166965282807C16533--
docosahexaenoate (DHA; 22:6n3)DHAME916668445580C06429--
docosapentaenoate (n3 DPA; 22:5n3)DPAME9166956441454C16513--
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME9167256441454C16513--
dodecadienoate (12:2)*Dodecadienoic acidME91682825480---
dodecanedioate (C12-DC)Dodecanedioic acidME91669012736C02678--
dodecenedioate (C12:1-DC)*Traumatic acidME9168205283028---
dopamine 3-O-sulfateDopamine 3-O-sulfateME916805122136C13690--
EDTAEdetic acidME9166856049C00284--
eicosanedioate (C20-DC)Eicosanedioic acidME91677675502---
eicosapentaenoate (EPA; 20:5n3)EPAME916656446284C06428--
eicosenedioate (C20:1-DC)*-ME916838----
eicosenoate (20:1)cis-Gondoic acidME916708-C16526--
epiandrosterone sulfateEpiandrosteroneME9167059929317C04555--
erucate (22:1n9)cis-Erucic acidME916637-C08316--
ethylparaben sulfateEthylparaben sulfateME91680322908099---
eugenol sulfateEugenol sulfateME916800180632---
gabapentinGabapentinME9167733446D00332--
gamma-CEHCgamma-CEHCME916761133098---
glutamine conjugate of C6H10O2 (2)*-ME916826----
glycerolGlycerolME916645753C00116--
glycine conjugate of C10H14O2 (1)*-ME916825----
glycochenodeoxycholateGlycochenodeoxycholic acidME91665012544C05466--
glycochenodeoxycholate 3-sulfateGlycochenodeoxycholic acid 3-sulfateME916808----
glycocholateGlycocholic acidME91661410140C01921--
glycocholenate sulfate*Glycocholenate sulfateME916751----
glycodeoxycholate 3-sulfateGlycodeoxycholic acid 3-sulfateME916809101602538---
glycolithocholate sulfate*Glycolithocholic acid 3-sulfateME91673572222C11301--
glycoursodeoxycholateGlycoursodeoxycholic acidME91677412310288---
guaiacol sulfateGuaiacol sulfateME91678722473---
heptanoate (7:0)Heptylic acidME9166318094C17714--
hexadecadienoate (16:2n6)7Z,10Z-Hexadecadienoic acidME91681513932172---
hexadecanedioate (C16-DC)Hexadecanedioic acidME91673110459C19615--
hexadecenedioate (C16:1-DC)*-ME916821----
hippurateHippuric acidME916658464C01586--
histidineHistidineME9166156274C00135--
hydroxy-CMPF*-ME916818----
hypoxanthineHypoxanthineME916606-C00262--
ibuprofenIbuprofenME9166483672C01588--
ibuprofen acyl glucuronide-ME916768163959---
indoleacetateIndoleacetic acidME916686802C00954--
indolelactateIndolelactic acidME91666392904C02043--
indolepropionate3-Indolepropionic acidME9166893744---
isobutyrylglycineIsobutyrylglycineME91672610855600---
isovalerate (i5:0)Isovaleric acidME91667010430C08262--
laurate (12:0)Lauric acidME9166093893C02679--
linoleate (18:2n6)Linoleic acidME9166085280450C01595--
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME916709-"C06426,C06427"--
malateMalic acidME916617525"C00149,C00711,C00497"--
maltotrioseMaltotrioseME916661439586C01835--
margarate (17:0)Margaric acidME91662810465---
metabolonic lactone sulfate-ME916839----
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME91679710657183---
myristate (14:0)Myristic acidME91662411005C06424--
myristoleate (14:1n5)Myristoleic acidME9166995281119C08322--
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME91672069698C05842--
N-acetyl-beta-alanineN-Acetyl-beta-alanineME91676276406C01073--
N-acetylthreonineN-AcetylthreonineME916702152204---
naproxenNaproxenME916646156391C01517--
N-formylmethionineN-FormylmethionineME916610439750C03145--
N-formylphenylalanineN-FormylphenylalanineME916794----
nonadecanoate (19:0)Nonadecenoic acidME91662912591C16535--
N-palmitoylglycineNA-Gly 16:0ME916780151008---
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME916823----
octadecanedioate (C18-DC)Octadecanedioic acidME91673270095---
octadecenedioate (C18:1-DC)Octadecenedioic acidME9168229543674---
oleate/vaccenate (18:1)Oleic acidME916811-"C21944,C08367,C01712,C00712"--
O-sulfo-tyrosineSulfotyrosineME916791514186---
oxalate (ethanedioate)Oxalic acidME916677971C00209--
palmitate (16:0)Palmitic acidME916618985C00249--
palmitoleate (16:1n7)Palmitoleic acidME916621445638C08362--
palmitoyl ethanolamidePalmitoyl-EAME9166494671C16512--
pantoate(R)-Pantoic acidME9167705289105C00522--
pantothenatePantothenic acidME9166366613C00864--
p-cresol sulfatep-Cresol sulfateME9167064615423---
pelargonate (9:0)Pelargonic acidME9166198158C01601--
pentadecanoate (15:0)Pentadecylic acidME91663413849C16537--
phenol sulfatePhenyl hydrogen sulfateME91672174426C02180--
phenylacetylglutaminealpha-N-PhenylacetylglutamineME91671392258C04148--
phenyllactate (PLA)Phenyllactic acidME9166733848C05607--
phytanatePhytanic acidME91662226840C01607--
pregnenediol disulfate (C21H34O8S2)*-ME916754----
pregnenediol sulfate (C21H34O5S)*Pregnenolone sulfateME916760105074C18044--
pregnenetriol disulfate*-ME916837----
pregnenetriol sulfate*-ME916836129671303---
pregnenolone sulfatePregnenolone sulfateME916764105074C18044--
pristanatePristanic acidME916623123929---
propyl 4-hydroxybenzoate sulfatePropylparaben sulfateME916802131838881---
pseudouridinePseudouridineME91662615047C02067--
saccharinSaccharinME9166785143C12283--
salicyluric glucuronide*Salicyluric glucuronideME916707121596205---
stearate (18:0)Stearic acidME9166205281C01530--
stearidonate (18:4n3)Stearidonic acidME9167005312508C16300--
sulfate*SulfateME9167695152822C00059--
tartarateTartaric acidME916662-"C00552,C02107,C00898"--
tartronate (hydroxymalonate)Hydroxypropanedioic acidME91667645C02287--
taurochenodeoxycholateTaurochenodeoxycholic acidME916651387316C05465--
taurocholateTaurocholic acidME916652-C05122--
taurocholenate sulfate*Taurocholenate sulfateME916752----
taurolithocholate 3-sulfateTaurolithocholic acid 3-sulfateME916736440071C03642--
tetradecadienedioate (C14:2-DC)*-ME91683586018718---
tetradecadienoate (14:2)*Tetradecadienoic acidME9168275312409---
tetradecanedioate (C14-DC)Tetradecanedioic acidME91673013185---
thymol sulfateThymol sulfateME91674012456386C09908--
"trans-3,4-methyleneheptanoate"-ME916810----
tridecenedioate (C13:1-DC)*-ME916766----
umbelliferone sulfateUmbelliferone sulfateME916804129659---
urateUric acidME9166411175C00366--
uridineUridineME9166256029C00299--
valylglycineVal-GlyME916779136487---
vanillic acid glycineVanilloylglycineME9168403083688---
vanillic alcohol sulfateVanillyl alcohol 4-sulfateME916798----
vanillylmandelate (VMA)Vanillylmandelic acidME9166381245C05584--
X-07765-ME916855----
X-11299-ME916856----
X-11308-ME916857----
X-11315-ME916858----
X-11372-ME916859----
X-11378-ME916860----
X-11381-ME916861----
X-11407-ME916862----
X-11444-ME916863----
X-11470-ME916864----
X-11478-ME916865----
X-11483-ME916866----
X-11843-ME916867----
X-11847-ME916868----
X-11852-ME916869----
X-11880-ME916870----
X-12026-ME916871----
X-12844-ME916872----
X-12847-ME916873----
X-12849-ME916874----
X-12851-ME916875----
X-13007-ME916876----
X-13728-ME916877----
X-14939-ME916878----
X-15245-ME916879----
X-15486-ME916880----
X-16124-ME916881----
X-16576-ME916882----
X-16935-ME916883----
X-16964-ME916884----
X-17010-ME916885----
X-17146-ME916886----
X-17653-ME916887----
X-17654-ME916888----
X-18779-ME916889----
X-18899-ME916890----
X-18913-ME916891----
X-18921-ME916892----
X-19299-ME916893----
X-19438-ME916894----
X-21258-ME916895----
X-21310-ME916896----
X-21319-ME916897----
X-21339-ME916898----
X-21353-ME916899----
X-21467-ME916900----
X-21607-ME916901----
X-21736-ME916902----
X-21796-ME916903----
X-22771-ME916904----
X-23984-ME916905----
X-24295-ME916906----
X-24307-ME916907----
X-24577-ME916908----
X-24581-ME916909----
X-24582-ME916910----
X-24637-ME916911----
X-24951-ME916912----
X-24953-ME916913----
X-26111-ME916914----


Analysis: HILIC 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
"1,6-anhydroglucose"GlucosanME9169622724705---
1-methylurate1-Methyluric acidME91697169726C16359--
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME917001----
"2,3-dihydroxy-2-methylbutyrate"2,3-Dihydroxy-2-methylbutanoic acidME917003301941---
"2,3-dihydroxyisovalerate"2,3-Dihydroxyisovaleric acidME916984677C04039--
"2,6-dihydroxybenzoic acid"2,6-Dihydroxybenzoic acidME9170129338---
2-hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME91701611427---
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME917000-"C21297,C05984"--
2-hydroxyglutarate2-Hydroxyglutaric acidME91698043C02630--
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME91691811970C05852--
2-isopropylmalate2-Isopropylmalic acidME91695677C02504--
2-keto-3-deoxy-gluconate2-Dehydro-3-deoxy-D-gluconic acidME916994161227C00204--
2-ketocaprylate2-Keto-octanoic acidME91701167600---
"2R,3R-dihydroxybutyrate"4-Deoxyerythronic acidME91698213120901---
"2S,3R-dihydroxybutyrate"4-Deoxythreonic acidME91698110964471---
"3,4-dihydroxybutyrate"3,4-Dihydroxybutyric acidME916976150929---
"3,5-dichloro-2,6-dihydroxybenzoic acid"3,5-Dichloro-2,6-dihydroxybenzoic acidME91701524721632---
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME916917-C03761--
3-hydroxyadipate3-Hydroxy-adipic acidME916990151913---
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME916921-"C03197,C01089"--
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME916997151492---
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME91691611966314"C01188,C06001"--
3-hydroxysebacate3-Hydroxysebacic acidME9169663017884---
3-methylglutaconate3E-Methylglutaconic acidME9169851551553---
4-hydroxy-2-oxoglutaric acid4-Hydroxy-2-oxoglutaric acidME916987599C01127--
4-vinylcatechol sulfate4-Vinylcatechol sulfateME917013----
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME91697288299C16366--
acesulfameAcesulfameME91699636573---
adipate (C6-DC)Adipic acidME916961196C06104--
allantoinAllantoinME916943-"C02348,C01551,C02350"--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME91696999823---
alpha-ketobutyrate3-Methyl pyruvic acidME91693358C00109--
alpha-ketoglutaramate*2-Keto-glutaramic acidME91698348C00940--
alpha-ketoglutarate2-Oxoglutaric acidME91691551C00026--
arabinoseArabinoseME91693866308C00216--
arabitol/xylitolArabitolME916998-"C00379,C00542,C01904"--
arabonate/xylonateArabinonic acid/Xylonic acidME916995-"C00502,C05411"--
ascorbic acid 2-sulfateAscorbic acid 2-sulfateME91700254676864---
ascorbic acid 3-sulfate*Ascorbic acid 3-sulfateME91700911425365---
azelate (C9-DC)Azelaic acidME9169492266C08261--
cholesterol sulfateCholesterol sulfateME91697565076C18043--
citraconate/glutaconateCitraconic acid/Glutaconic acidME916999-"C02226,C02214"--
cystineCystineME91692267678C00491--
decadienedioic acid (C10:2-DC)**Decadienedioic acidME91701817789717---
dihydrocaffeate sulfate (2)Dihydrocaffeic acid 3-sulfateME917010----
dihydroorotate4,5-Dihydroorotic acidME916941648C00337--
erythritolErythritolME916960222285C00503--
erythronate*Erythronic acidME9169702781043---
ethylmalonateEthylmalonic acidME91695111756---
fructoseFructoseME9169392723872C00095--
fumarateFumaric acidME916923444972C00122--
gluconateGluconic acidME916924-C00257--
glucoseGlucoseME9169325793C00031--
glucuronateGlucuronic acidME916953-C16245--
glutarate (C5-DC)Glutaric acidME916925-C00489--
glycerateGlyceric acidME916945-C00258--
gulonate*Gulonic acidME916974152304C00800--
heptenedioate (C7:1-DC)*Heptenedioic acidME917007----
hydantoin-5-propionateHydantoin-5-propionic acidME916986782C05565--
hypotaurineHypotaurineME916926107812C00519--
lactateLactic acidME916930612C00186--
lyxonateD-Lyxonic acidME917006----
maleateMaleic acidME916958444266C01384--
maltoseMaltoseME91694010991489C00208--
mannitol/sorbitolSorbitolME916978-"C00392,C00794"--
mannonate*Mannonic acidME9169893246006---
mannoseMannoseME916934-"C00159,C02209,C00936"--
methylmalonate (MMA)Methylmalonic acidME916928487C02170--
methylsuccinateMethylsuccinic acidME91695010349---
myo-inositolMyo-inositolME916927892C00137--
N6-acetyllysineN6-AcetyllysineME91697792832C02727--
N-acetylalanineN-AcetylalanineME91694888064C02847--
N-acetylaspartate (NAA)N-Acetylaspartic acidME91695965065C01042--
N-acetylglutamateN-Acetylglutamic acidME91695470914C00624--
N-acetylglutamineN-AcetylglutamineME916968182230C02716--
N-acetylmethionineN-AcetylmethionineME916946448580C02712--
N-acetylserineN-AcetylserineME91697965249---
N-acetyltaurineN-AcetyltaurineME916993159864---
N-acetylvalineN-AcetylvalineME91694766789---
N-delta-acetylornithineN(5)-Acetyl-ornithineME9169919920500C00437--
N-formylanthranilic acidFormylanthranilic acidME916992101399C05653--
N-oxalyl glycine (NOG)N-OxalylglycineME9170053080614---
orotateOrotic acidME916929967C00295--
orotidineOrotidineME91697392751---
pentose acid*Valeric acidME9170177991C00803--
perfluorohexanesulfonate (PFHxS)-ME917019----
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME91700474483C18142--
perfluorooctanoate (PFOA)Perfluorooctanoic acidME9170089554---
phenylpyruvatePhenylpyruvic acidME916919997C00166--
pyridoxate4-Pyridoxic acidME9169656723C00847--
pyruvatePyruvic acidME9169351060C00022--
quinateQuinic acidME9169576508C00296--
ribitolRibitolME9169556912"C00379,C01904,C00474,C00532"--
ribonateRibonic acidME9169635460677C01685--
salicylateSalicylic acidME916931338C00805--
sebacate (C10-DC)Sebacic acidME9169675192C08277--
S-methylcysteineMethylcysteineME916988----
suberate (C8-DC)Suberic acidME91695210457C08278--
succinateSuccinic acidME9169201110C00042--
succinoyltaurine-ME917014----
sucroseSucroseME9169425988C00089--
threonateThreonic acidME916964-C01620--
uracilUracilME9169361174C00106--
xanthineXanthineME9169441188C00385--
xyloseXyloseME916937135191C00181--


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