Return to study ST002822 main page

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 acidME73158475810C05828--
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME7315856451814---
1-methylguanidineMethylguanidineME73158610111C02294--
1-methylhistamine1-MethylhistamineME7315873614C05127--
1-methylnicotinamide1-Methyl nicotinamideME731588457C02918--
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME731589440569C05131--
2-aminoheptanoate2-Aminoheptanoic acidME731590227939---
2'-deoxyadenosineDeoxyadenosineME73159113730C00559--
2'-deoxycytidineDeoxycytidineME73159213711C00881--
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME7315936426901---
2-methylmalonylcarnitine (C4-DC)CAR DC3:0;2MeME73159453481628---
2-oxoarginine*2-OxoarginineME731595558C03771--
3-amino-2-piperidone3-Amino-2-piperidoneME7315965200225---
3-aminoisobutyrate3-Aminoisobutanoic acidME73159764956C05145--
3-formylindole1H-Indole-3-carboxaldehydeME73159810256C08493--
3-hydroxyhexanoylcarnitine (1)CAR 6:0;3OHME731599----
3-hydroxyhexanoylcarnitine (2)CAR 6:0;3OHME731600----
3-hydroxyoctanoylcarnitine (1)CAR 8:0;3OHME731601----
3-hydroxyoctanoylcarnitine (2)CAR 8:0;3OHME731602----
3-ureidopropionateUreidopropionic acidME731603111C02642--
4-guanidinobutanoate4-Guanidinobutanoic acidME731604500C01035--
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME731605439902C03079--
4-imidazoleacetateImidazoleacetic acidME73160696215C02835--
5-aminovalerate5-Aminopentanoic acidME731607138C00431--
5-hydroxylysine5-HydroxylysineME7316083032849C16741--
5-methylthioadenosine (MTA)5'-MethylthioadenosineME731609439176C00170--
acetylcarnitine (C2)CAR 2:0ME7316107045767C02571--
acetylcholineAcetylcholineME731611187C01996--
adenineAdenineME731612190C00147--
adenosineAdenosineME73161360961C00212--
adenosine 5'-monophosphate (AMP)AMPME7316146083C00020--
AICA ribonucleotideAICARME73161565110C04677--
alanineAlanineME7316165950C00041--
alanylleucineAla-LeuME731617259583---
anserineAnserineME731618112072C01262--
arginineArginineME7316196322C00062--
ascorbate (Vitamin C)Vitamin CME73162054670067D00018,C00072--
asparagineAsparagineME7316216267C00152--
aspartateAspartic acidME7316225960C00049--
benzoylcarnitine*BenzoylcarnitineME731623----
beta-alaninebeta-AlanineME731624239C00099--
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME731625----
betaineBetaineME731626247C00719--
butenoylcarnitine (C4:1)CAR 4:1ME731627----
butyrylcarnitine (C4)CAR 4:0ME731628439829C02862--
carnitineCarnitineME731629288C00487,C00308--
carnosineCarnosineME731630439224C00386--
C-glycosyltryptophanC-GlycosyltryptophanME73163110981970---
cholineCholineME731632305C00114--
choline phosphateCholine phosphateME7316331014C00588--
citrullineCitrullineME7316349750C00327--
creatineCreatineME731635586C00300--
creatinineCreatinineME731636588C00791--
cystathionineCystathionineME731637439258C02291--
cysteineCysteineME7316385862C00097--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME7316393080690---
cysteinylglycineCys-GlyME731640439498C01419--
cytidineCytidineME7316416175C00475--
cytidine 5'-monophosphate (5'-CMP)CMPME7316426131C00055--
cytosineCytosineME731643597C00380--
deoxycarnitine3-DehydroxycarnitineME73164422620C01181--
dihydroxyacetone phosphate (DHAP)Dihydroxyacetone phosphateME731645668C00111--
dimethylarginine (SDMA + ADMA)DimethylarginineME731647-C21189,C03626--
dimethylglycineDimethylglycineME731648673C03626--
dimethyl sulfoneDimethyl sulfoneME7316466213C11142--
ergothioneineErgothioneineME7316495351619C05570--
fructosyllysineFructosyllysineME7316509839580---
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME73165165254---
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME7316527015685---
gamma-glutamylglutamategamma-Glutamylglutamic acidME73165392865C05282--
gamma-glutamylglutaminegamma-GlutamylglutamineME731654150914C05283--
gamma-glutamylleucinegamma-GlutamylleucineME731655151023---
gamma-glutamylthreoninegamma-GlutamylthreonineME73165676078708---
gamma-glutamylvalinegamma-GlutamylvalineME7316577015683---
glutamateGlutamic acidME73165833032C00025,C00217--
glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME73165968662---
glutamineGlutamineME7316605961C00064--
glutathione, oxidized (GSSG)Oxidized glutathioneME73166165359D00031,C00127--
glutathione, reduced (GSH)GlutathioneME731662124886D00014,C00051--
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME73166371920C00670--
glycerophosphoserine*sn-Glycero-3-phosphoserineME7316643081457---
glycineGlycineME731665750C00037--
glycylleucineGly-LeuME73166692843C02155--
glycylvalineGly-ValME7316672724807---
guanidinoacetateGuanidoacetic acidME731668763C00581--
guanineGuanineME731669135398634C00242--
guanosineGuanosineME7316706802C00387--
histamineHistamineME731671774C00388--
histidine betaine (hercynine)*HercynineME7316723083620---
histidine methyl ester-ME73167392893---
homostachydrine*(S)-HomostachydrineME731674441447C08283--
hydroxy-N6,N6,N6-trimethyllysine*3-Hydroxy-N6,N6,N6-trimethyl-lysineME731675----
imidazole lactateImidazolelactic acidME731676793C05568--
imidazole propionateImidazole propanoateME73167770630---
inosine 5'-monophosphate (IMP)IMPME7316788582C00130--
isobutyrylcarnitine (C4)CAR 3:0;2MeME731679168379---
isoleucineIsoleucineME7316806306C06418,C00407,C16424--
kynurenineKynurenineME731681161166C00328--
leucineLeucineME7316826106C00123--
leucylalanineLeu-AlaME73168381721---
leucylglutamine*Leu-GlnME7316844305457---
leucylglycineLeu-GlyME73168579070---
lysineLysineME7316865962C00739,C00047--
malonylcarnitineCAR DC3:0ME73168722833583---
methionineMethionineME7316886137C00073--
methionine sulfoxideMethionine sulfoxideME731689158980C02989--
N1-methyladenosine1-MethyladenosineME73169427476C02494--
(N(1) + N(8))-acetylspermidineAsparagineME731581-C01029,C00612--
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME731697123800---
N6-methyllysineN(6)-MethyllysineME731698164795C02728--
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME731696193344C05545--
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME731695440120C03793--
N-acetylarginineN-AcetylarginineME73169967427C02562--
N-acetylasparagineN-AcetylasparagineME73170099715---
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME731701188803C12270--
N-acetylglucosaminylasparagineAspartylglycosamineME731702123826C04540--
N-acetylglutamineN-AcetylglutamineME731703182230C02716--
N-acetylhistidineN-AcetylhistidineME73170475619C02997--
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME73170511902949---
N-acetylneuraminateN-Acetylneuraminic acidME731706439197C00270--
N-acetylputrescineN-AcetylputrescineME731707122356C02714--
N-acetylserineN-AcetylserineME73170865249---
nicotinamideNiacinamideME731709936C00153--
nicotinamide N-oxideNicotinamide N-oxideME73171072661---
nicotinamide ribonucleotide (NMN)Nicotinamide ribotideME73171114180C00455--
nicotinamide ribosideNicotinamide ribosideME731712439924C03150--
N-methylprolineN-Methyl-prolineME731713643474---
N-monomethylarginineTarginineME731714132862C03884--
N,N-dimethylalanineN,N-DimethylalanineME7316925488191---
N,N-dimethyl-pro-pro-ME731693----
N,N,N-trimethyl-5-aminovaleratedelta-ValerobetaineME73169014274897---
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME731691----
O-methyltyrosineO-MethyltyrosineME731715-D00762--
ophthalmateOphthalmic acidME7317167018721---
ornithineOrnithineME7317176262C00077--
oxindolylalanineOxyindolylalanineME73171820977764---
pantetheinePantetheineME731719439322C00831--
phenylacetylglycinePhenylacetylglycineME73172068144C05598--
phenylalaninePhenylalanineME7317216140C00079--
phenylalanylalaninePhe-AlaME7317225488196---
phenylalanylglycinePhe-GlyME7317236992304---
pipecolatePipecolic acidME731724----
pro-hydroxy-proPro-hydroxyProME73172511902893---
prolineProlineME731726-C00148,C000763--
prolylglycinePro-GlyME7317276426709---
propionylcarnitine (C3)CAR 3:0ME731728107738C03017--
putrescinePutrescineME7317291045C00134--
pyridoxaminePyridoxamineME7317301052C00534--
pyridoxamine phosphatePyridoxamine 5'-phosphateME7317311053C00647--
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME73158253481617---
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME73158371464477---
S-adenosylmethionine (SAM)S-AdenosylmethionineME73173234755C00019--
serineSerineME7317335951C00065--
serotoninSerotoninME7317345202C00780--
spermidineSpermidineME7317351102C00315--
spermineSpermineME7317361103C00750--
stachydrineStachydrineME731737115244C10172--
succinylcarnitine (C4-DC)CAR DC4:0ME73173871464481---
taurineTaurineME7317391123C00245--
taurocyamineTaurocyamineME73174068340C01959--
thiamin (Vitamin B1)ThiamineME7317411130DG00125,C00378,D08580--
thioprolineThioprolineME73174293176---
threonineThreonineME7317436288C00188--
tiglylcarnitine (C5:1-DC)CAR DC5:1ME73174422833596---
trans-4-hydroxyprolinetrans-4-HydroxyprolineME7317455810C01157--
tricine-ME73174679784---
triethanolamineTriethanolamineME7317477618C06771--
trigonelline (N'-methylnicotinate)TrigonellineME7317485570C01004--
trimethylamine N-oxideTrimethylamine N-oxideME7317491145C01104--
trizma acetate2-Amino-2-methylol-propane-1,3-diolME73175016218782C07182--
tryptophanTryptophanME7317516305C00078--
tyrosineTyrosineME7317526057C00082--
ureaUreaME7317531176C00086--
valineValineME7317546287C00183--
X-10445-ME731755----
X-10457-ME731756----
X-11381-ME731757----
X-11787-ME731758----
X-12100-ME731759----
X-12101-ME731760----
X-12462-ME731761----
X-12798-ME731762----
X-14056-ME731763----
X-15136-ME731764----
X-15161-ME731765----
X-15461-ME731766----
X-22162-ME731767----
X-23171-ME731768----
X-23587-ME731769----
X-23593-ME731770----
X-23639-ME731771----
X-23665-ME731772----
X-23739-ME731773----
X-24224-ME731774----
X-24425-ME731775----
X-24697-ME731776----
X-25109-ME731777----
X-25422-ME731778----
X-25855-ME731779----
X-25936-ME731780----
xanthineXanthineME7317811188C00385--


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-18:1 or LPE O-18:2ME731782----
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME731783----
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME73178452925126---
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME73178524779386---
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME73178652925127---
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME73178734779384---
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME73178852925128---
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME73178911146967---
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME73179010917802---
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME731791----
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME7317929547058---
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME731793----
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME73179442607457---
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME731795----
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME7317965288075---
1,2-dilinoleoyl-GPE (18:2/18:2)*PE 18:2/18:2ME7317979546812---
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME731798452110D03585--
1,2-dipalmitoyl-GPE (16:0/16:0)*PE 16:0/16:0ME731799445468---
1,2-dipalmitoyl-GPG (16:0/16:0)PG 16:0/16:0ME73180011846227---
14-HDoHE/17-HDoHE-ME731801----
1-docosahexaenoylglycerol (22:6)MG 22:6ME73180253480995---
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME73180324779481---
1-linolenoyl-GPC (18:3)*LPC 18:3ME731804-C04100--
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME73180524778979C05208--
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*PE 18:2_20:4ME731806348279332---
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME73180752922731---
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME73180811988421C04100--
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME73180952925130---
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME73181024778634---
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME731811129657---
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME731812348281223---
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*PI 18:1/20:4ME731813----
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME73181424778955---
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*PE 18:1/22:6ME73181552922113---
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*PC 18:1_18:2ME73181624778939---
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME7318179546753---
1-oleoyl-2-linoleoyl-GPI (18:1/18:2)*PI 18:1_18:2ME73181852928384---
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME73181916081932C03916--
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME7318209547071---
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1_18:3ME73182152922452---
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*PC 16:1/18:2ME73182224778768---
1-palmitoleoyl-GPC (16:1)*LPC 16:1/0:0ME73182324779461---
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME73182410747814C05208--
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME7318259546800C05210--
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME731826----
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME7318276441886---
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME7318289546799---
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*PC 16:0_18:3ME73182924778699---
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME7318305287971---
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME7318319546747---
1-palmitoyl-2-linoleoyl-GPG (16:0/18:2)PG 16:0/18:2ME73183252927246---
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME7318336436017C13875--
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME7318345283496---
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)PG 16:0/18:1ME73183570789105---
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME73183671296232---
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME7318376443788---
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME73183824778686C03889--
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*PE 16:0/18:0ME7318395326793---
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME73184086554C04102--
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME7318419547069---
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME7318423300276---
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME73184316219824---
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME7318445289133C05210--
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME731845----
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0/20:4ME73184624779545---
1-stearoyl-2-docosahexaenoyl-glycosyl-GPE (18:0/22...PE 18:0/22:6ME731847----
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME73184824778876---
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME7318499546798---
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME7318506441487---
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME7318519546749---
1-stearoyl-2-linoleoyl-GPG (18:0/18:2)*PG 18:0/18:2ME731852----
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME731853----
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)PS 18:0/18:2ME7318549547091---
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME73185524778825---
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME7318569546742---
1-stearoyl-2-oleoyl-GPG (18:0/18:1)PG 18:0/18:1ME73185724779551---
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME731858497300---
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME7318599547068---
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME731860----
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME731861----
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME73186274819135---
2-aminooctanoate2-Aminocaprylic acidME73186369522---
3-decenoylcarnitineCAR 10:1ME731864----
3-hydroxydecanoylcarnitineCAR 10:0;3OHME731865121454166---
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME731866129637446---
3-hydroxypalmitoylcarnitineCAR 16:0;3OHME731867126456228---
4-cholesten-3-oneCholestenoneME73186891477C00599--
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME73186991825571---
adrenoylcarnitine (C22:4)*CAR 22:4ME731870----
alpha-tocopherolalpha-TocopherolME73187186472C02477--
arachidonate (20:4n6)Arachidonic acidME731872444899C00219--
arachidonoylcarnitine (C20:4)CAR 20:4ME731874136212424---
arachidonoylcholineArachidonoylcholineME731875122198216---
arachidonoyl ethanolamideArachidonoyl-EAME7318735281969C11695--
arachidoylcarnitine (C20)*CAR 20:0ME73187653477833---
behenoylcarnitine (C22)*CAR 22:0ME73187971464577---
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME73187744260132---
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME73187844260125---
beta-sitosterolSitosterolME731880222284C01753--
bilirubin (Z,Z)BilirubinME7318815280352C00486--
biliverdinBiliverdinME7318825280353C00500--
campesterolCampesterolME731883173183C01789--
carotene diol (1)Carotene diolME731884----
ceramide (d18:1/17:0, d17:1/18:0)*Cer 35:1;O2ME731885----
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME731886----
cholesterolCholesterolME731887-C00187--
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME73188857357170---
decanoylcarnitine (C10)CAR 10:0ME73188910245190---
delta-tocopheroldelta-TocopherolME73189092094C14151--
diacylglycerol (14:0/18:1, 16:0/16:1) [2]*DG 32:1ME731891----
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*DG 34:3ME731892----
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME731893----
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME731894----
docosadienoylcarnitine (C22:2)*CAR 22:2ME73189571464511---
docosahexaenoylcarnitine (C22:6)*CAR 22:6ME731897----
docosahexaenoyl ethanolamideDocosahexenoyl-EAME7318965283451---
docosapentaenoylcarnitine (C22:5n3)*CAR 22:5ME73189871464594---
docosapentaenoylcarnitine (C22:5n6)*-ME73189971464594---
eicosenoylcarnitine (C20:1)*CAR 20:1ME731900----
erucoylcarnitine (C22:1)*CAR 22:1ME731901----
gamma-tocopherol/beta-tocopherolbeta-tocopherolME731902-C14152,C02483--
gamma-tocotrienolgamma-TocotrienolME7319035282349C14155--
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME731904----
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME731905----
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME731906----
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME731907----
hemeHemeME73190826945C00032--
heptadecasphingosine (d17:1)C17 SphingosineME7319095283557---
hexadecasphingosine (d16:1)*C16 SphingosineME73191014767871---
hexanoylcarnitine (C6)CAR 6:0ME7319116426853---
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**-ME731912----
laurylcarnitine (C12)CAR 12:0ME731913168381---
lignoceroylcarnitine (C24)*CAR 24:0ME731915----
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME731914----
linolenoylcarnitine (C18:3)*CAR 18:3ME731916----
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME7319179543796---
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME7319189543796---
linoleoylcarnitine (C18:2)*CAR 18:2ME7319196450015---
linoleoylcholine*alpha-LinoleoylcholineME73192053481656---
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]...DG 18:2_22:6ME7319219543899---
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*DG 18:2_18:3ME7319229543737---
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME7319239543729---
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME7319249543729---
margaroylcarnitine (C17)*CAR 17:0ME73192553477803---
meadoylcarnitine (C20:3n9)*-ME731926----
myristoleoylcarnitine (C14:1)*CAR 14:1ME731927129691961---
myristoylcarnitine (C14)CAR 14:0ME7319286426854---
N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH...-ME73192972715801---
N-arachidoyl-sphingosine (d18:1/20:0)*-ME7319305283566---
N-behenoyl-sphingadienine (d18:2/22:0)*Cer 18:2;O2/22:0ME731931----
nervonoylcarnitine (C24:1)*CAR 24:1ME731932----
nonanoylcarnitine (C9)CAR 9:0ME73193391825642---
N-palmitoyl-sphingadienine (d18:2/16:0)*Cer 18:2;O2/16:0ME731934----
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME7319355283572---
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME7319365283564---
N-stearoyl-sphingadienine (d18:2/18:0)*Cer 18:2;O2/18:0ME731937132282053---
N-stearoyl-sphinganine (d18:0/18:0)*Cer 18:0;O2/18:0ME7319385283573---
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME7319395283565---
octanoylcarnitine (C8)CAR 8:0ME731940-C02838--
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME7319429543786---
oleoylcarnitine (C18:1)CAR 18:1(9Z)ME7319436441392---
oleoylcholineOleoylcholineME73194459040790---
oleoyl ethanolamideOleoyl-EAME7319415283454---
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME73194514275396---
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME73194671433693---
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*DG 18:1_18:1ME7319479543716---
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*DG 18:1_18:1ME7319489543716---
palmitoleoylcarnitine (C16:1)*CAR 16:1ME73194971464547---
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*DG 16:1_18:2ME7319509543699---
palmitoloelycholine-ME731951----
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*DG 16:0_20:4ME7319559543736---
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*DG 16:0_20:4ME7319569543736---
palmitoylcarnitine (C16)CAR 16:0ME731957461C02990--
palmitoylcholinePalmitoylcholineME731958151731---
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME7319529939965---
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [1]...DG 16:0_22:6ME7319599543827---
palmitoyl-docosahexaenoyl-glycerol (16:0/22:6) [2]...DG 16:0_22:6ME7319609543827---
palmitoyl ethanolamidePalmitoyl-EAME7319534671C16512--
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*DG 16:0_18:2ME7319619543695---
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME731962131801744---
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*DG 16:0_18:1ME7319635282283C13861--
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*DG 16:0_18:1ME7319645282283C13861--
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME7319549939941---
pentadecanoylcarnitine (C15)*CAR 15:0ME731965123132011---
phytosphingosinePhytosphingosineME731966122121C12144--
retinol (Vitamin A)RetinolME731967445354C00473--
sphingadienineSphingadienineME7319686449795---
sphinganineSphinganineME7319693126C00836--
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...SM 33:1;O2ME731970----
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME73197144260130---
sphingomyelin (d18:0/20:0, d16:0/22:0)*SM 38:0;O2ME731972----
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME73197311433862---
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME73197446891763---
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME7319756443882---
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME731976----
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME73197744260124---
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME731978----
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME731979----
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME731980----
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME731981----
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME73198244260126---
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME731983----
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME731984----
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME73198552931155---
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME731986----
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME731987134757653---
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME731988----
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME73198985336023---
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME731990----
sphingosineSphingosineME7319915280335C00319--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*DG 18:0_20:4ME7319946438587C00165--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*DG 18:0_20:4ME7319956438587---
stearoylcarnitine (C18)CAR 18:0ME7319963006797---
stearoylcholine*StearoylcholineME73199790111---
stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]*DG 18:0_22:6ME731998----
stearoyl ethanolamideStearoyl-EAME73199227902---
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*DG 18:0_18:2ME731999----
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME7319936453725C00550--
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME732000----
X-23782-ME732001----
X-25991-ME732002----
X-26106-ME732003----
X-26107-ME732004----
X-26108-ME732005----
ximenoylcarnitine (C26:1)*CAR 26:1ME732006----


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 acidME7320125312435---
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME7320135312513---
12,13-DiHOME12,13-DiHOMEME73201410236635C14829--
1,2,3-benzenetriol sulfate (2)Pyrogallol sulfateME732010----
12-HETE12-HETEME7320155283155C14777--
12-HHTrE12S-HHTrEME7320165283141C20388--
13-HODE + 9-HODEHODEME732017-C14767,C14762--
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME732007-C16995--
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME73201164960C07326--
16-hydroxypalmitateJuniperic acidME73201810466C18218--
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME7320083083779---
18-methylnonadecanoate (i20:0)Isoarachidic acidME7320194383090---
1-arachidonoyl-GPA (20:4)LPA 20:4/0:0ME73202042607498---
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME73202124779476C05208--
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME73202242607465---
1-arachidonoyl-GPI (20:4)*LPI 20:4/0:0ME732023121596217---
1-arachidonylglycerol (20:4)MG 20:4ME732024-C13857--
1-carboxyethylisoleucine1-CarboxyethylisoleucineME732025----
1-carboxyethylleucine1-CarboxyethylleucineME732026----
1-carboxyethylphenylalanine1-CarboxyethylphenylalanineME73202759100900---
1-carboxyethyltyrosine1-CarboxyethyltyrosineME732028----
1-carboxyethylvaline1-CarboxyethylvalineME732029----
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME732030----
1-dihomo-linoleoylglycerol (20:2)MG 20:2ME732031----
1-eicosapentaenoylglycerol (20:5)*MG 20:5ME73203253480988---
1-heptadecenoylglycerol (17:1)*MG 17:1/0:0/0:0ME732033----
1-linolenoylglycerol (18:3)MG 18:3ME73203453480978---
1-linoleoylglycerol (18:2)MG 18:2ME7320355283469---
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME732036----
1-linoleoyl-GPI (18:2)*LPI 18:2/0:0ME73203711124828---
1-margaroylglycerol (17:0)MG 17:0ME732038107036---
1-meadoylglycerol (20:3n9)*MG 20:3/0:0/0:0ME732039----
1-methyl-5-imidazolelactate1-Methyl-5-imidazolelactateME732040----
1-myristoylglycerol (14:0)MG 16:3ME73204110957631C01885--
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME7320425283468---
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME732043----
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME73204486289645---
1-palmitoleoylglycerol (16:1)*MG 16:1ME732045----
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME73204614900---
1-palmitoyl-GPA (16:0)LPA 16:0/0:0ME7320476419701C04036--
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME73204871296207---
1-pentadecanoylglycerol (15:0)MG 15:0ME732049190750---
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME732050----
2,4-di-tert-butylphenol2,4-Ditert-butylphenolME732051----
2,8-quinolinediol sulfate2,8-Quinolinediol sulfateME732052----
2-amino-p-cresol sulfate-ME732053----
2-aminophenol sulfate2-Aminophenyl sulfateME732054181670---
2-arachidonoylglycerol (20:4)MG 20:4ME7320555282280C13856--
2'-deoxyadenosine 5'-monophosphatedAMPME73205612599C00360--
2'-deoxyguanosineDeoxyguanosineME732057135398592C00330--
2'-deoxyinosineDeoxyinosineME732058135398593C05512--
2'-deoxyuridineDeoxyuridineME73205913712C00526--
2-dihomo-linoleoylglycerol (20:2)*-ME732060----
2-docosahexaenoylglycerol (22:6)*MG 22:6ME73206146896303---
2-heptadecenoylglycerol (17:1)*MG 0:0/17:1/0:0ME732062----
2-hydroxyarachidate*2-Hydroxyeicosanoic acidME7320635225199---
2-hydroxydecanoate2-Hydroxycapric acidME73206421488---
2-hydroxyoctanoate2-Hydroxyoctanoic acidME732065----
2-hydroxypalmitate2-Hydroxypalmitic acidME732066----
2-hydroxystearate2-Hydroxystearic acidME732067-C03042,C03045--
2-linoleoylglycerol (18:2)MG 18:2ME7320685365676---
2-myristoylglycerol (14:0)MG 0:0/14:0/0:0ME732069137938---
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME7320705319879---
2'-O-methyluridine2'-O-MethyluridineME732071102212---
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME732009----
2-oxindole-3-acetate2-Oxindole-3-acetateME7320723080590---
2-palmitoleoylglycerol (16:1)*MG 16:1ME73207353480960---
2-palmitoylglycerol (16:0)MG 0:0/16:0/0:0ME732074123409---
2-palmitoyl-GPC (16:0)*LPC 0:0/16:0ME73207515061532---
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME732076----
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME732077187488---
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME7320789378C03672--
3,5-dichloro-2,6-dihydroxybenzoic acid3,5-Dichloro-2,6-dihydroxybenzoic acidME73207924721632---
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*3-Bromo-5-chloro-2,6-dihydroxybenzoic acidME732080134581543---
3'-dephospho-acetyl-CoA-ME732081193680---
3'-dephospho-CoA-glutathione*-ME732082----
3'-dephosphocoenzyme A3'-Dephospho-CoAME732083444485C00882--
3-hydroxydecanoate3-Hydroxydecanoic acidME73208426612---
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME732085151492---
3-hydroxylaurate3-Hydroxydodecanoic acidME73208694216---
3-hydroxymyristate3-Hydroxytetradecanoic acidME73208716064---
3-hydroxyoctanoate3-Hydroxyoctanoic acidME73208826613C20793--
3-hydroxyoleate*-ME732089----
3-hydroxypalmitate3-Hydroxyhexadecanoic acidME73209015569776---
3-hydroxystearate3-Hydroxystearic acidME7320915282907---
3-hydroxytridecanoate-ME7320925312749---
3-indoleglyoxylic acid3-Indoleglyoxylic acidME73209373863---
3-indoxyl sulfateIndoxyl sulfateME73209410258---
3-methylhistidine3-MethylhistidineME73209564969C01152--
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME732096107C05629--
3-phosphoglycerate3-Phosphoglyceric acidME732097724C00597--
4-chlorobenzoic acid4-Chlorobenzoic acidME7320986318C02370--
4-ethylcatechol sulfate4-Ethylcatechol sulfateME732099----
4-HDoHE4-HDoHEME732100----
4-hydroxycinnamatecis-p-Coumaric acidME732101637542C00811--
4-hydroxyhippurate4-Hydroxyhippuric acidME732102151012---
4-hydroxynonenal4-HydroxynonenalME7321035283344C21642--
4-hydroxy-nonenal-glutathione-ME73210492970719---
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME732105979C01179--
4-methylcatechol sulfate4-Methylcatechol 1-sulfateME73210654104170---
4-methylhexanoylglycine-ME732107----
4-vinylphenol sulfate4-HydroxystyreneME7321086426766C05627--
5,6-dihydrouridine5,6-DihydrouridineME73210994312---
5-dodecenoate (12:1n7)5-Dodecenoic acidME7321105312378---
5-KETE5-Oxo-ETEME7321115353355C14732--
5-methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME732112440055C03592--
5-methyltetrahydrofolate (5MeTHF)5-Methyl-THFME7321133729C00440--
5-methyluridine (ribothymidine)RibothymidineME732114445408---
5-oxoprolinePyroglutamic acidME732115-C02237,C01879--
6-phosphogluconate6-Phosphogluconic acidME73211691493C00345--
7-ketodeoxycholate7-Ketodeoxycholic acidME732117188292---
7-methylguanine7-MethylguanineME732118135398679C02242--
9,10-DiHOME9,10-DiHOMEME7321199966640C14828--
acetyl CoAAcetyl-CoAME732120444493C00024--
aconitate [cis or trans]cis-Aconitic acidME732121-C004174,C02341--
adenosine 2'-monophosphate (2'-AMP)Adenosine 2'-phosphateME73212294136C00946--
adenosine 3',5'-cyclic monophosphate (cAMP)3',5' cyclic AMPME7321236076C00575--
adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME732124159296C00054--
adenosine 5'-diphosphate (ADP)ADPME7321256022C00008--
adenosine 5'-diphosphoribose (ADP-ribose)ADP-riboseME732126192C00301--
adenylosuccinateAdenylsuccinic acidME732127440122C03794--
adrenate (22:4n6)Adrenic acidME732128-C16527--
arachidate (20:0)Arachidic acidME73212910467C06425--
benzoateBenzoic acidME732130243C00180--
beta-citrylglutamateBeta-Citryl-glutamic acidME732131189741C20775--
beta-muricholatebeta-Muricholic acidME7321325283853C17726--
biopterinBiopterinME732133445040C06313--
butyrylglycineN-ButyrylglycineME73213488412---
caprate (10:0)Capric acidME7321352969C01571--
caproate (6:0)Caproic acidME7321368892C01585--
caprylate (8:0)Caprylic acidME732137379C06423--
catechol sulfateCatechol sulfateME7321383083879---
chenodeoxycholateChenodeoxycholic acidME73213910133C02528--
cholateCholic acidME732140221493C00695--
cinnamoylglycineCinnamoylglycineME732141709625---
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME7321425282726---
citrateCitric acidME732143311C00158--
CoA-glutathione*Glutathionyl-CoAME73214446873828C00920--
coenzyme ACoenzyme AME73214587642C00010--
corticosteroneCorticosteroneME7321465753C02140--
dehydroascorbateDehydroascorbic acidME732147440667C05422--
deoxycholateDeoxycholic acidME732148-C04483--
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME7321496439848C16525--
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME7321505280581C03242--
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME7321515282807C16533--
docosahexaenoate (DHA; 22:6n3)DHAME732152445580C06429--
docosapentaenoate (n3 DPA; 22:5n3)DPAME7321536441454C16513--
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME7321546441454C16513--
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME7321555312556C16534--
docosatrienoate (22:3n6)*10Z,13Z,16Z-Docosatrienoic acidME73215675955220---
dodecadienoate (12:2)*Dodecadienoic acidME73215725480---
eicosapentaenoate (EPA; 20:5n3)EPAME732158446284C06428--
eicosenoate (20:1)cis-Gondoic acidME732159-C16526--
equol sulfateEquol 4'-sulfateME732160----
erucate (22:1n9)cis-Erucic acidME732161-C08316--
ethyl beta-glucopyranosideEthyl glucosideME732162121667---
ethylparaben sulfateEthylparaben sulfateME73216322908099---
ferulic acid 4-sulfateFerulic acid 4-sulfateME7321646305574---
flavin adenine dinucleotide (FAD)FADME732165643975C00016--
flavin mononucleotide (FMN)FMNME732166643976C00061--
fructose 1,6-bisphosphateFructose 1,6-bisphosphateME732167445557C05378--
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME732168111299---
glycerolGlycerolME732169753C00116--
guanosine 5'-monophosphate (5'-GMP)GMPME7321706804C00144--
heneicosapentaenoate (21:5n3)6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acidME73217111998573---
heptadecatrienoate (17:3)*Heptadecatrienoic acidME73217216061034C16344--
hexadecadienoate (16:2n6)7Z,10Z-Hexadecadienoic acidME73217313932172---
hexadecatrienoate (16:3n3)7,10,13-Hexadecatrienoic acidME73217491820460---
hexadecenedioate (C16:1-DC)*-ME732175----
hexanoylglycineHexanoylglycineME73217699463---
hexanoyltaurineNA-Taurine 6:0ME7321772245940---
hippurateHippuric acidME732178464C01586--
histidineHistidineME7321796274C00135--
hypoxanthineHypoxanthineME732180-C00262--
indoleacetateIndoleacetic acidME732181802C00954--
indoleacetylglycineN-IndoleacetylglycineME732182446640---
indoleacrylateIndoleacrylic acidME7321835375048---
indolelactateIndolelactic acidME73218492904C02043--
indolepropionate3-Indolepropionic acidME7321853744---
inosineInosineME7321866021C00294--
isocaproylglycineIsocaproylglycineME73218728777652---
isoleucylglycineIle-GlyME732188342532---
isovalerylglycineIsovalerylglycineME732189546304---
kynurenateKynurenic acidME7321903845C01717--
lactateLactic acidME732191612C00186--
linoleate (18:2n6)Linoleic acidME7321925280450C01595--
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME732193-C06426,C06427--
linoleoyl ethanolamideLinoleoyl-EAME7321945283446---
malateMalic acidME732195525C00149,C00711,C00497--
maltitol/lactitol/cellobiotol/palatinol-ME732196----
maltopentaoseMaltopentaoseME73219713489094C06218--
maltoseMaltoseME73219810991489C00208--
maltotetraoseMaltotetraoseME732199439639C02052--
maltotrioseMaltotrioseME732200439586C01835--
margarate (17:0)Margaric acidME73220110465---
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME7322025312531---
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME73220510657183---
methyl glucopyranoside (alpha + beta)Methyl glucoseME732203----
methyl vanillate sulfate-ME732204----
myristate (14:0)Myristic acidME73220611005C06424--
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME73220969698C05842--
N6-acetyllysineN6-AcetyllysineME73221092832C02727--
N6-succinyladenosineSuccinyladenosineME732211165243---
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME73221295555---
N-acetylalanineN-AcetylalanineME73221388064C02847--
N-acetylisoleucineN-AcetylisoleucineME732214306109---
N-acetylleucineN-AcetylleucineME73221570912C02710--
N-acetylmethionineN-AcetylmethionineME732216448580C02712--
N-acetylphenylalanineN-AcetylphenylalanineME73221774839C03519--
N-acetylthreonineN-AcetylthreonineME732218152204---
N-acetyltryptophanN-Acetyl-tryptophanME732219-C03137--
N-acetyltyrosineN-AcetyltyrosineME73222068310---
N-(ADP-ribosyl)-arginine (1)*-ME732207----
N-(ADP-ribosyl)-arginine (2)*-ME732208----
N-arachidonoyltaurineNA-Taurine 20:4(5Z,8Z,11Z,14Z)ME73222142607331---
N-delta-acetylornithineN(5)-Acetyl-ornithineME7322229920500C00437--
N-formylanthranilic acidFormylanthranilic acidME732223101399C05653--
N-formylphenylalanineN-FormylphenylalanineME732224----
nicotinamide adenine dinucleotide (NAD+)NADME7322255892C00003--
nisinate (24:6n3)THAME73222611792612---
N-linoleoyltaurine*NA-Taurine 18:2(9Z,12Z)ME73222752922081---
N-myristoyltaurine*NA-Taurine 14:0ME7322283810823---
N-oleoyltaurineNA-Taurine 18:1(9Z)ME7322296437033---
nonadecanoate (19:0)Nonadecenoic acidME73223012591C16535--
N-palmitoleoyltaurine*NA-Taurine 16:1(9Z)ME732231----
N-palmitoyltaurineNA-Taurine 16:0ME73223214504290---
N-stearoyltaurineNA-Taurine 18:0ME732233168274---
octadecenedioate (C18:1-DC)Octadecenedioic acidME7322349543674---
oleate/vaccenate (18:1)Oleic acidME732235-C21944,C08367,C01712,C00712--
O-sulfo-L-tyrosineSulfotyrosineME732236514186---
oxalate (ethanedioate)Oxalic acidME732237971C00209--
palmitate (16:0)Palmitic acidME732238985C00249--
palmitoleate (16:1n7)Palmitoleic acidME732239445638C08362--
pantothenatePantothenic acidME7322406613C00864--
p-cresol glucuronide*P-Cresol glucuronideME732241154035---
p-cresol sulfatep-Cresol sulfateME7322424615423---
pentadecanoate (15:0)Pentadecylic acidME73224313849C16537--
phenol glucuronidePhenyl glucuronideME73224487235---
phenol sulfatePhenyl hydrogen sulfateME73224574426C02180--
phenyllactate (PLA)Phenyllactic acidME7322463848C05607--
phenylpropionylglycinePhenylpropionylglycineME732247152323---
phosphatePhosphoric acidME7322481061C00009--
phosphoenolpyruvate (PEP)Phosphoenolpyruvic acidME7322491005C00074--
phosphoethanolaminePhosphoethanolamineME7322501015C00346--
phosphopantetheinePantetheine 4'-phosphateME732251987C01134--
propyl 4-hydroxybenzoate sulfatePropylparaben sulfateME732252131838881---
pseudouridinePseudouridineME73225315047C02067--
pterinPterinME732254135398660C00715--
pyridoxalPyridoxalME7322551050C00250--
pyridoxal phosphatePyridoxal 5'-phosphateME7322561051C00018--
pyrralinePyrralineME73225714274616C21013--
riboflavin (Vitamin B2)RiboflavinME732258493570C00255--
S-(3-hydroxypropyl)mercapturic acid (HPMA)N-Acetyl-S-(3-hydroxypropyl)-cysteineME732259119083---
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME732260439155C00021--
sebacate (C10-DC)Sebacic acidME7322615192C08277--
sedoheptulose-7-phosphateSedoheptulose 7-phosphateME732262616C05382--
S-lactoylglutathioneS-LactoylglutathioneME732263440018C03451--
S-methylglutathioneS-MethylglutathioneME732264115260C11347--
stearate (18:0)Stearic acidME7322655281C01530--
stearidonate (18:4n3)Stearidonic acidME7322665312508C16300--
succinoyltaurine-ME732267----
sulfate*SulfateME7322685152822C00059--
tartronate (hydroxymalonate)Hydroxypropanedioic acidME73226945C02287--
tauro-beta-muricholateTauro-beta-muricholic acidME732270----
taurochenodeoxycholateTaurochenodeoxycholic acidME732271387316C05465--
taurocholateTaurocholic acidME732272-C05122--
taurodeoxycholateTaurodeoxycholic acidME7322732733768C05463--
taurohyodeoxycholic acidTaurohyodeoxycholic acidME73227412443252---
tauroursodeoxycholateTauroursodeoxycholic acidME7322759848818---
tetradecadienoate (14:2)*Tetradecadienoic acidME7322765312409---
thiamin diphosphateThiamine diphosphateME7322771132C00068--
thiamin monophosphateThiamine monophosphateME732278-C01081--
threonylphenylalanineThr-PheME7322797010580---
thymidineThymidineME7322805789C00214--
thymidine 5'-monophosphateTMPME7322819700C00364--
thymineThymineME7322821135C00178--
tryptophylglycineTrp-GlyME732283263471---
tyrosylglycineTyr-GlyME7322847021854---
UDP-glucuronateUDP-glucuronic acidME73228517473C00167--
urateUric acidME7322861175C00366--
uridineUridineME7322876029C00299--
ursodeoxycholateUrsodeoxycholic acidME73228831401C07880--
valerylglycineValerylglycineME7322894737557---
valylglutamineVal-GlnME7322905253209---
valylglycineVal-GlyME732291136487---
valylleucineVal-LeuME732292352039---
X-11580-ME732293----
X-11612-ME732294----
X-12015-ME732295----
X-12027-ME732296----
X-12104-ME732297----
X-13695-ME732298----
X-15220-ME732299----
X-15503-ME732300----
X-15520-ME732301----
X-15523-ME732302----
X-17010-ME732303----
X-17325-ME732304----
X-18913-ME732305----
X-21353-ME732306----
X-21788-ME732307----
X-21796-ME732308----
X-22498-ME732309----
X-22770-ME732310----
X-22771-ME732311----
X-22772-ME732312----
X-22773-ME732313----
X-22774-ME732314----
X-22776-ME732315----
X-22918-ME732316----
X-23890-ME732317----
X-24076-ME732318----
X-24257-ME732319----
X-24428-ME732320----
X-24430-ME732321----
X-24541-ME732322----
X-24642-ME732323----
X-24952-ME732324----
X-25009-ME732325----
X-25035-ME732326----
X-25984-ME732327----
X-26062-ME732328----
X-26127-ME732329----
xanthosineXanthosineME73233064959C01762--


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-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME73233146891795---
1-stearoyl-2-oleoyl-GPS (18:0/18:1)PS 18:0/18:1ME7323329547087---
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME732333301941---
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME732334677C04039--
2,4-dihydroxybutyrate2,4-Dihydroxybutanoic acidME732335192742---
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME7323369338---
2-aminoadipatealpha-Aminoadipic acidME73233792136C00956--
2-hydroxyadipate2-Hydroxyadipic acidME732338193530C02360--
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME732339-C21297,C05984--
2-hydroxyglutarate2-Hydroxyglutaric acidME73234043C02630--
2-hydroxyheptanoate*2-Hydroxy enanthoic acidME7323412750949---
2-methylcitrate2-Methylcitric acidME73234212898022C02225--
2-O-methylascorbic acid2-O-Methylascorbic acidME73234354726398---
2-phosphoglycerate2-Phosphoglyceric acidME73234459C00631--
2R,3R-dihydroxybutyrate4-Deoxyerythronic acidME73234513120901---
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME73234610964471---
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME732347150929---
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME732348-C03761--
3-hydroxyadipate3-Hydroxy-adipic acidME732349151913---
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME732350-C03197,C01089--
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME73235111966314C01188,C06001--
3-methylglutaconate3E-Methylglutaconic acidME7323521551553---
4-hydroxybutyrate (GHB)4-Hydroxybutyric acidME73235310413C00989--
5-(galactosylhydroxy)-L-lysine5-(Galactosylhydroxy)-lysineME73235466995551---
acetylphosphateAcetylphosphateME732355186C00227--
allantoinAllantoinME732356-C02348,C01551,C02350--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME73235799823---
alpha-ketoglutaramate*2-Keto-glutaramic acidME73235848C00940--
alpha-ketoglutarate2-Oxoglutaric acidME73235951C00026--
arabitol/xylitolArabitolME732360-C00379,C00542,C01904--
arabonate/xylonateArabinonic acid/Xylonic acidME732361-C00502,C05411--
arachidonoyl CoAArachidonyl-CoAME732362-C02249--
argininosuccinateArgininosuccinic acidME73236360150382C03406--
ascorbic acid 3-sulfate*Ascorbic acid 3-sulfateME73236411425365---
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME73236569362---
cholesterol sulfateCholesterol sulfateME73236665076C18043--
creatine phosphatePhosphocreatineME732367-C02305--
cytidine 5'-diphosphocholineCDP-cholineME73236813804C00307--
cytidine-5'-diphosphoethanolamineCDP-EthanolamineME732370123727C00570--
cytidine 5'-monophospho-N-acetylneuraminic acidCMP-N-acetylneuraminic acidME732369448209C00128--
erythronate*Erythronic acidME7323712781043---
ethylmalonateEthylmalonic acidME73237211756---
fructoseFructoseME7323732723872C00095--
fumarateFumaric acidME732374444972C00122--
galactonateGalactonic acidME732375-C00880,C15930--
galactose 1-phosphateGalactose 1-phosphateME732376123912C00446--
gluconateGluconic acidME732377-C00257--
glucosamine-6-phosphateGlucosamine 6-phosphateME732378440997C00352--
glucoseGlucoseME7323795793C00031--
glucose 6-phosphateGlucose 6-phosphateME7323805958C00092--
glucuronateGlucuronic acidME732381-C16245--
glutarate (C5-DC)Glutaric acidME732382-C00489--
glycerateGlyceric acidME732383-C00258--
glycerol 3-phosphatesn-Glycero-3-phosphateME732384754C0093--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME732385123874C01233--
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME73238654575349C03274--
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME732387167572---
gulonate*Gulonic acidME732388152304C00800--
homocitrullineHomocitrullineME73238965072C02427--
hypotaurineHypotaurineME732390107812C00519--
inositol 1-phosphate (I1P)Inositol 3-phosphateME732391440194C01177--
isocitrateIsocitric acidME7323925318532C00451--
itaconateItaconic acidME732393811C00490--
lyxonateD-Lyxonic acidME732394----
maleateMaleic acidME732395444266C01384--
malonateMalonic acidME732396867C00383--
mannitol/sorbitolSorbitolME732397-C00392,C00794--
mannonate*Mannonic acidME7323983246006---
mannoseMannoseME732399-C00159,C02209,C00936--
mannose-6-phosphateMannose 6-phosphateME732400439198C00275--
methylmalonate (MMA)Methylmalonic acidME732401487C02170--
methylphosphateMethanolphosphateME73240213130---
methylsuccinateMethylsuccinic acidME73240310349---
myo-inositolMyo-inositolME732404892C00137--
N-acetylaspartate (NAA)N-Acetylaspartic acidME73240565065C01042--
N-acetyl-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME732406440364C04256--
N-acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME732407439219C00357--
N-acetylglutamateN-Acetylglutamic acidME73240870914C00624--
N-acetylglycineN-AcetylglycineME73240910972---
N-acetyltaurineN-AcetyltaurineME732410159864---
N-formylmethionineN-FormylmethionineME732411439750C03145--
N-glycolylneuraminateN-Glycolylneuraminic acidME732412123802C03410--
oleoyl CoAOleoyl-CoAME7324135497111C00510--
orotateOrotic acidME732414967C00295--
orotidineOrotidineME73241592751---
pentose acid*Valeric acidME7324167991C00803--
pyridoxate4-Pyridoxic acidME7324176723C00847--
pyruvatePyruvic acidME7324181060C00022--
ribitolRibitolME7324196912C00379,C01904,C00474,C00532--
ribonateRibonic acidME7324205460677C01685--
ribose 1-phosphateRibose 1-phosphateME732421439236C00620--
ribulose 5-phosphateRibulose 5-phosphateME732422439184C00199--
ribulose/xylulose-ME732423----
S-(1,2-dicarboxyethyl)glutathione-ME7324249802383---
salicylateSalicylic acidME732425338C00805--
succinateSuccinic acidME7324261110C00042--
sucroseSucroseME7324275988C00089--
threonateThreonic acidME732428-C01620--
tricarballylate1,2,3-Propanetricarboxylic acidME73242914925C19806--
UDP-galactoseUDP-galactoseME73243018068C00052--
UDP-glucoseUDP-glucoseME7324318629C00029--
UDP-N-acetylglucosamine/galactosamineUDP-N-acetyl-D-hexosamineME732432-C00203,C00043--
uracilUracilME7324331174C00106--
uridine 5'-monophosphate (UMP)UMPME7324346030C00105--
xylulose 5-phosphateXylulose 5-phosphateME732435439190C00231--


  logo