Return to study ST002754 main page

Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-(3-aminopropyl)-2-pyrrolidone-ME70804082111#N/A--
1-methyl-4-imidazoleacetateMethylimidazoleacetic acidME70797475810C05828--
1-methyl-5-imidazoleacetate1-Methyl-5-imidazoleacetic acidME7080346451814#N/A--
1-methylguanidineMethylguanidineME70795410111C02294--
1-methylhistamine1-MethylhistamineME7079723614C05127--
1-methylhistidine1-MethylhistidineME70796292105C01152--
1-methylnicotinamide1-Methyl nicotinamideME707856457C02918--
1-ribosyl-imidazoleacetate*Imidazoleacetic acid ribosideME708013440569C05131--
2-aminobutyrate2-Aminobutyric acidME70792680283C02356--
2-aminoheptanoate2-Aminoheptanoic acidME708053227939#N/A--
2'-deoxycytidineDeoxycytidineME70794413711C00881--
2-hydroxyglutarate2-Hydroxyglutaric acidME70802143C02630--
2-methylbutyrylcarnitine (C5)CAR 4:0;2MeME7080036426901#N/A--
2'-O-methylcytidine2'-O-MethylcytidineME708068150971#N/A--
2-oxindole-3-acetate2-Oxindole-3-acetateME7080363080590#N/A--
2-oxoarginine*2-OxoarginineME708033558C03771--
2-pyrrolidinone2-PyrrolidinoneME70796512025#N/A--
3-amino-2-piperidone3-Amino-2-piperidoneME7080775200225#N/A--
3-aminoisobutyrate3-Aminoisobutanoic acidME70792564956C05145--
3-hydroxybutyroylglycine**-ME708074-#N/A--
3-hydroxyoctanoylcarnitine (1)CAR 8:0;3OHME708088-#N/A--
3-hydroxyoctanoylcarnitine (2)CAR 8:0;3OHME708089-#N/A--
3-methoxytyrosine3-MethoxytyrosineME7079379307#N/A--
3-methylcrotonylglycine3-MethylcrotonylglycineME707969169485C20828--
3-methylcytidine3-MethylcytidineME70799714237477#N/A--
3-phosphoglycerate3-Phosphoglyceric acidME707857724C00597--
3-ureidopropionateUreidopropionic acidME707922111C02642--
4-acetamidobutanoate4-Acetamidobutanoic acidME70792418189C02946--
4-guanidinobutanoate4-Guanidinobutanoic acidME707943500C01035--
4-hydroxybutyrate (GHB)4-Hydroxybutyric acidME70800210413C00989--
4-hydroxyglutamateErythro-4-hydroxy-glutamic acidME708030439902C03079--
4-imidazoleacetateImidazoleacetic acidME70797396215C02835--
5,6-dihydrothymineDihydrothymineME70785893556C00906--
5-aminovalerate5-Aminopentanoic acidME707950138C00431--
5-(galactosylhydroxy)-lysine5-(Galactosylhydroxy)-lysineME70802766995551#N/A--
5-hydroxylysine5-HydroxylysineME7079423032849C16741--
5-methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME708025440055C03592--
5-methylcytidine5-MethylcytidineME70795592918#N/A--
5-methylthioadenosine (MTA)5'-MethylthioadenosineME707863439176C00170--
5-methylthioribose**5-MethylthioriboseME7080226419710#N/A--
7-methylguanine7-MethylguanineME707996135398679C02242--
acetylcarnitine (C2)CAR 2:0ME7079587045767C02571--
adenineAdenineME707914190C00147--
adenosineAdenosineME70790660961C00212--
adenosine 5'-monophosphate (AMP)AMPME7078626083C00020--
adipoylcarnitine (C6-DC)CAR DC5:0ME70806171296139#N/A--
alanineAlanineME7079105950C00041--
anserineAnserineME707941112072C01262--
anthranilate2-Aminobenzoic acidME707935227C00108--
argininate*Argininic acidME708032160437#N/A--
arginineArginineME7078656322C00062--
argininosuccinateArgininosuccinic acidME70786660150382C03406--
asparagineAsparagineME7079166267C00152--
aspartateAspartic acidME7078675960C00049--
beta-alaninebeta-AlanineME707868239C00099--
beta-hydroxyisovaleroylcarnitineCAR 4:0;OH,MeME708008-#N/A--
betaineBetaineME707907247C00719--
biotinBiotinME707870171548C00120--
butyrylcarnitine (C4)CAR 4:0ME707963439829C02862--
carboxyethyl-GABAN-Carboxyethyl-gamma-aminobutyric acidME7080392572#N/A--
carnitineCarnitineME707938288C00487,C00308--
carnosineCarnosineME707869439224C00386--
cholineCholineME707934305C00114--
choline phosphateCholine phosphateME7078711014C00588--
cis-4-hydroxyprolinecis-4-HydroxyprolineME707951440014C03440--
citrullineCitrullineME7078849750C00327--
creatineCreatineME707931586C00300--
creatinineCreatinineME707872588C00791--
cystathionineCystathionineME707875439258C02291--
cysteineCysteineME7079085862C00097--
cysteine-glutathione disulfideS-Glutathionyl-cysteineME7079953080690R00900--
cysteine sulfinic acid3-Sulfino-alanineME708023109C00606--
cysteinylglycine disulfide*Cysteinylglycine disulfideME70802822833544#N/A--
cytidineCytidineME7079126175C00475--
cytidine 5'-monophosphate (5'-CMP)CMPME7078736131C00055--
cytosineCytosineME707915597C00380--
deoxycarnitine3-DehydroxycarnitineME70801222620C01181--
dihydroxyacetone phosphate (DHAP)Dihydroxyacetone phosphateME707874668C00111--
dimethylarginine (SDMA + ADMA)DimethylarginineME708017-C21189,C03626--
dimethylglycineDimethylglycineME707909673C03626--
dimethyl sulfoneDimethyl sulfoneME7080496213C11142--
EDTAEdetic acidME7079606049C00284--
formiminoglutamateFormiminoglutamic acidME708029439233C00439--
fructosyllysineFructosyllysineME7080559839580#N/A--
gamma-glutamyl-2-aminobutyrategamma-Glutamyl-2-aminobutanoateME708001-#N/A--
gamma-glutamylalaninegamma-GlutamylalanineME708018440103C03738--
gamma-glutamyl-alpha-lysinegamma-GlutamyllysineME70806965254#N/A--
gamma-glutamylcitrulline*-ME708076-#N/A--
gamma-glutamyl-epsilon-lysineEpsilon-(gamma-Glutamyl)-lysineME7079787015685#N/A--
gamma-glutamylglutamategamma-Glutamylglutamic acidME70787692865C05282--
gamma-glutamylglutaminegamma-GlutamylglutamineME707927150914C05283--
gamma-glutamylglycinegamma-GlutamylglycineME707982100099#N/A--
gamma-glutamylhistidinegamma-GlutamylhistidineME7079327017195#N/A--
gamma-glutamylisoleucine*gamma-GlutamylisoleucineME70799922885096#N/A--
gamma-glutamylleucinegamma-GlutamylleucineME707936151023#N/A--
gamma-glutamylmethioninegamma-GlutamylmethionineME7079877009567#N/A--
gamma-glutamylphenylalaninegamma-GlutamylphenylalanineME707953111299#N/A--
gamma-glutamylserinegamma-Glu-SerME70806322844748#N/A--
gamma-glutamylthreoninegamma-GlutamylthreonineME70798876078708#N/A--
gamma-glutamyltryptophangamma-GlutamyltryptophanME7079833989307#N/A--
gamma-glutamylvalinegamma-GlutamylvalineME7079687015683#N/A--
glu-gly-asn-val**-ME708083-#N/A--
glutamateGlutamic acidME70790033032C00025,C00217--
glutamineGlutamineME7079015961C00064--
glutamine_degradant*-ME708005-#N/A--
glutarylcarnitine (C5-DC)CAR DC5:0ME70800771317118#N/A--
glutathione, oxidized (GSSG)Oxidized glutathioneME70789065359D00031,C00127--
glycerol 3-phosphatesn-Glycero-3-phosphateME707945754C0093--
glycerophosphoethanolaminesn-Glycero-3-phosphoethanolamineME708010123874C01233--
glycerophosphoinositol*sn-Glycero-3-phosphoinositolME708011167572#N/A--
glycerophosphorylcholine (GPC)sn-Glycero-3-phosphocholineME70794871920C00670--
glycerophosphoserine*sn-Glycero-3-phosphoserineME7080703081457#N/A--
glycineGlycineME707877750C00037--
glycylleucineGly-LeuME70797792843C02155--
glycylvalineGly-ValME7079522724807#N/A--
guanidinoacetateGuanidoacetic acidME707878763C00581--
guanosine 5'-monophosphate (5'-GMP)GMPME7078796804C00144--
hexanoylcarnitine (C6)CAR 6:0ME7079576426853#N/A--
histamineHistamineME707880774C00388--
homoarginineHomoarginineME7079599085C01924--
homostachydrine*(S)-HomostachydrineME708006441447C08283--
hydroxyasparagine**HydroxyasparagineME70807315991574C20631--
hydroxymethylpyrimidine4-Amino-5-hydroxymethyl-2-methylpyrimidineME708041777C01279--
hydroxy-N6,N6,N6-trimethyllysine*-ME708084-#N/A--
hypotaurineHypotaurineME707881107812C00519--
imidazole lactateImidazolelactic acidME707946793C05568--
imidazole propionateImidazole propanoateME70804470630#N/A--
indolepropionate3-Indolepropionic acidME7079663744#N/A--
indolin-2-oneIndolin-2-oneME708051321710C12312--
inosine 5'-monophosphate (IMP)IMPME7078828582C00130--
isobutyrylcarnitine (C4)CAR 3:0;2MeME707964168379#N/A--
isocitrateIsocitric acidME7079295318532C00451--
isoleucineIsoleucineME7078836306C06418,C00407,C16424--
isoleucylhydroxyproline*IsoleucylhydroxyprolineME70808761158802#N/A--
isovalerylcarnitine (C5)CAR 4:0;3MeME707991169235C20826--
kynurenineKynurenineME707947161166C00328--
lanthionineLanthionineME70804698504#N/A--
leucineLeucineME7078856106C00123--
leucylhydroxyproline*-ME70808620847829#N/A--
lysineLysineME7078865962C00739,C00047--
malonylcarnitineCAR DC3:0ME70800422833583#N/A--
methionineMethionineME7078876137C00073--
methionine sulfoneMethionine sulfoneME70805469961#N/A--
methionine sulfoxideMethionine sulfoxideME707940158980C02989--
methyl glucopyranoside (alpha + beta)Methyl glucoseME708058-#N/A--
methyl indole-3-acetateIndole-3-methyl acetateME70792374706#N/A--
methylphosphateMethanolphosphateME70801613130#N/A--
mevalonolactoneMevalonolactoneME70795610428#N/A--
N1-methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME707998440810C05843--
N1-methyladenosine1-MethyladenosineME70793327476C02494--
N1-methylinosine1-MethylinosineME707992650095#N/A--
(N(1) + N(8))-acetylspermidineAsparagineME708072-C01029,C00612--
N2-acetyl,N6,N6-dimethyllysineN2-Acetyl,N6,N6-dimethyllysineME708082-#N/A--
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME707993135501639#N/A--
N4-acetylcytidineN4-AcetylcytidineME707994107461#N/A--
N6-carboxymethyllysineN(6)-Carboxymethyl-lysineME708015123800#N/A--
N6-methyladenosineN6-MethyladenosineME707864102175#N/A--
N6-methyllysineN(6)-MethyllysineME708043164795C02728--
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME708079193344C05545--
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME707860440120C03793--
N-acetyl-1-methylhistidine*N-Acetyl-3-methylhistidineME70805053859791#N/A--
N-acetyl-3-methylhistidine*N-Acetyl-3-methylhistidineME708024193270#N/A--
N-acetylarginineN-AcetylarginineME70797967427C02562--
N-acetylasparagineN-AcetylasparagineME70797699715#N/A--
N-acetyl-aspartyl-glutamate (NAAG)N-Acetyl-Asp-GluME708009188803C12270--
N-acetylcarnosineN-AcetylcarnosineME7080489903482#N/A--
N-acetylglucosamine/N-acetylgalactosamineN-AcetylhexosamineME708060-C01074--
N-acetylglucosaminylasparagineAspartylglycosamineME707930123826C04540--
N-acetylglutamineN-AcetylglutamineME707975182230C02716--
N-acetylglycineN-AcetylglycineME70796110972#N/A--
N-acetylhistidineN-AcetylhistidineME70798175619C02997--
N-acetylhomocitrulline-ME708081-#N/A--
N-acetyl-isoputreanineN-AcetylisoputreanineME708080131802901#N/A--
N-acetylmethionine sulfoxideN-Acetylmethionine sulfoxideME70805711902949#N/A--
N-acetylprolineN-Acetyl-prolineME707990322640#N/A--
N-acetylputrescineN-AcetylputrescineME707861122356C02714--
N-acetylpyrralineDehydroepiandrosteroneME708059-C01227--
N-alpha-acetylornithineN-AcetylornithineME707949439232C00437--
N-glycolylneuraminateN-Glycoloylneuraminic acidME708000123802C03410--
nicotinamideNiacinamideME707888936C00153--
nicotinamide N-oxideNicotinamide N-oxideME70803172661#N/A--
nicotinamide ribosideNicotinamide ribosideME707985439924C03150--
nicotinate ribonucleosideD-RibosylnicotinateME707989161233C05841--
N-methyl-GABA4-(Methylamino)butyric acidME70803770703C15987--
N-methylpipecolateN-methyl pipecolic acidME70805611286529#N/A--
N-methylprolineN-Methyl-prolineME708020643474#N/A--
N-monomethylarginineTarginineME708052132862C03884--
N,N-dimethylalanineN,N-DimethylalanineME7080785488191#N/A--
N,N-dimethyl-pro-pro-ME708090-#N/A--
N,N,N-trimethyl-5-aminovalerateN,N,N-trimethyl-5-aminovalerateME70807114274897#N/A--
N,N,N-trimethyl-alanylproline betaine (TMAP)N,N,N-Trimethyl-alanylproline betaineME708075-#N/A--
ophthalmateOphthalmic acidME7079867018721#N/A--
ornithineOrnithineME7078896262C00077--
oxindolylalanineOxyindolylalanineME70809120977764#N/A--
phenylacetylglycinePhenylacetylglycineME70798068144C05598--
phenylalaninePhenylalanineME7078916140C00079--
phenylalanylhydroxyproline*-ME70808553480675#N/A--
phosphatePhosphoric acidME7078921061C00009--
phosphoethanolaminePhosphoethanolamineME7079211015C00346--
picolinatePicolinic acidME7079181018C10164--
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)CAR DC7:0ME708066-#N/A--
pipecolatePipecolic acidME707920-#N/A--
pro-hydroxy-proPro-hydroxyProME70797111902893#N/A--
prolineProlineME707893-C00148,C000763--
prolylglycinePro-GlyME7080456426709#N/A--
propionylcarnitine (C3)CAR 3:0ME707970107738C03017--
putrescinePutrescineME7078541045C00134--
pyridoxalPyridoxalME7078941050C00250--
pyridoxaminePyridoxamineME7079051052C00534--
pyrralinePyrralineME70801414274616C21013--
quinolinateQuinolinic acidME7078591066C03722--
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME70804753481617#N/A--
S-1-pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME70785311966181C04322--
(S)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME70806571464477#N/A--
sarcosineSarcosineME7079191088C00213--
S-carboxymethyl-cysteineS-Carboxymethyl-cysteineME708026193653C03727--
serineSerineME7078955951C00065--
serotoninSerotoninME7078965202C00780--
S-methylcysteine sulfoxide2-amino-3-methanesulfinylpropanoic acidME70803582142#N/A--
spermidineSpermidineME7078551102C00315--
stachydrineStachydrineME707984115244C10172--
suberoylcarnitine (C8-DC)CAR DC8:0ME708062-#N/A--
succinylcarnitine (C4-DC)CAR DC4:0ME70801971464481#N/A--
taurineTaurineME7078971123C00245--
thiamin (vitamin B1)ThiamineME7079131130DG00125,C00378,D08580--
thioprolineThioprolineME70806493176#N/A--
threonineThreonineME7079026288C00188--
tigloylglycineTiglylglycineME7079286441567#N/A--
trans-3,4-methyleneheptanoylglycine-ME708067129822188#N/A--
trans-4-hydroxyprolinetrans-4-HydroxyprolineME7079175810C01157--
trans-urocanateUrocanic acidME707899736715C00785--
trigonelline (N'-methylnicotinate)TrigonellineME7079675570C01004--
trimethylamine N-oxideTrimethylamine N-oxideME7080421145C01104--
tryptophanTryptophanME7079036305C00078--
tyrosineTyrosineME7079116057C00082--
ureaUreaME7078981176C00086--
valineValineME7079046287C00183--
valylleucineVal-LeuME708038352039#N/A--
xanthurenateXanthurenic acidME7079395699C02470--


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-(1-enyl-oleoyl)-GPE (P-18:1)*LPE P-18:1 or LPE O-18:2ME708169-#N/A--
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...PC P-16:0/20:4 or PC O-16:1/20:4ME708212-#N/A--
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...PE P-16:0/20:4 or PE O-16:1/20:4ME70820852925126#N/A--
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...PC P-16:0/18:2 or PC O-16:1/18:2ME70821124779386#N/A--
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...PE P-16:0/18:2 or PE O-16:1/18:2ME70822452925127#N/A--
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*PC P-16:0/18:1 or PC O-16:1/18:1ME70821034779384#N/A--
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*PE P-16:0/18:1 or PE O-16:1/18:1ME70820952925128#N/A--
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...PC P-16:0/16:1 or PC O-16:1/16:1ME70823652923882#N/A--
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...PC P-16:0/16:0 or PC O-16:1/16:0ME70823711146967#N/A--
1-(1-enyl-palmitoyl)-GPC (P-16:0)*LPC P-16:0 or LPC O-16:1ME70815510917802#N/A--
1-(1-enyl-palmitoyl)-GPE (P-16:0)*LPE P-16:0 or LPE O-16:1ME708158-#N/A--
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...PE P-18:0/20:4 or PE O-18:1/20:4ME7082079547058#N/A--
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*PE P-18:0/18:2 or PE O-18:1/18:2ME708244-#N/A--
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)PE P-18:0/18:1 or PE O-18:1/18:1ME70818842607457#N/A--
1-(1-enyl-stearoyl)-GPE (P-18:0)*LPE P-18:0 or LPE O-18:1ME708159-#N/A--
1,2-dilinoleoyl-GPC (18:2/18:2)PC 18:2/18:2ME7081835288075#N/A--
1,2-dilinoleoyl-GPE (18:2/18:2)*PE 18:2/18:2ME7082409546812#N/A--
1,2-dipalmitoyl-GPC (16:0/16:0)PC 16:0/16:0ME708109452110D03585--
1,2-dipalmitoyl-GPE (16:0/16:0)*PE 16:0/16:0ME708239445468#N/A--
1,2-distearoyl-GPC (18:0/18:0)PC 18:0/18:0ME70811094190#N/A--
1-adrenoyl-GPC (22:4)*-ME70815252924039#N/A--
1-arachidonoyl-GPC (20:4n6)*LPC 20:4/0:0ME70812924779476C05208--
1-arachidonoyl-GPE (20:4n6)*LPE 20:4/0:0ME70813642607465#N/A--
1-arachidoyl-GPC (20:0)LPC 20:0/0:0ME70812124779473C04230--
1-behenoyl-GPC (22:0)-ME70815024779479#N/A--
1-dihomo-linoleoyl-GPC (20:2)*-ME708130-#N/A--
1-docosahexaenoyl-GPC (22:6)*-ME70813210415542#N/A--
1-eicosenoyl-GPC (20:1)*-ME70816752924051#N/A--
1-eicosenoyl-GPE (20:1)*-ME70817052925139#N/A--
1-erucoyl-GPC (22:1)*-ME70815153480471#N/A--
1-lignoceroyl-GPC (24:0)LPC 24:0/0:0ME70815324779481#N/A--
1-linolenoyl-GPC (18:3)*LPC 18:3ME708166-C04100--
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*PC 18:2/20:4ME70823024778979C05208--
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)*PE 18:2_20:4ME708243348279332#N/A--
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*PC 18:2/18:3ME70825052922731#N/A--
1-linoleoyl-GPC (18:2)LPC 18:2/0:0ME70812511988421C04100--
1-linoleoyl-GPE (18:2)*LPE 18:2/0:0ME70813552925130#N/A--
1-margaroyl-2-oleoyl-GPC (17:0/18:1)*-ME708219-#N/A--
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*PC 14:0/20:4ME70823224778634#N/A--
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)PC 14:0/16:0ME708111129657#N/A--
1-myristoyl-GPC (14:0)LPC 14:0ME708120460604C04230--
1-nervonoyl-GPC (24:1n9)*-ME70815453480477#N/A--
1-nisinoyl-GPC (24:6)*-ME708305-#N/A--
1-nonadecanoyl-GPC (19:0)-ME708168-#N/A--
1-nonadecenoyl-GPC (19:1)*-ME708300-#N/A--
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*PE 18:1/20:4ME708241348281223#N/A--
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*PI 18:1/20:4ME708263-#N/A--
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*PC 18:1/22:6ME70822924778955#N/A--
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*PE 18:1/22:6ME70824252922113#N/A--
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*PC 18:1_18:2ME70819824778939#N/A--
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*PE 18:1/18:2ME7082269546753#N/A--
1-oleoyl-GPC (18:1)LPC 18:1/0:0ME70811916081932C03916--
1-oleoyl-GPE (18:1)LPE 18:1/0:0ME7081349547071#N/A--
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*PC 16:1_18:3ME70825152922452#N/A--
1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*PC 16:1/18:2ME70822524778768#N/A--
1-palmitoleoyl-GPC (16:1)*LPC 16:1/0:0ME70812824779461#N/A--
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)PC 16:0/20:4ME70818510747814C05208--
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*PE 16:0/20:4ME7082029546800C05210--
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*PI 16:0/20:4ME708205-#N/A--
1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 o...-ME708200-#N/A--
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)PC 16:0/22:6ME7081866441886#N/A--
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*PE 16:0/22:6ME7082039546799#N/A--
1-palmitoyl-2-eicosapentaenoyl-GPC (16:0/20:5)*-ME70820124778723#N/A--
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*PC 16:0_18:3ME70823524778699#N/A--
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)PC 16:0/18:2ME7081025287971#N/A--
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)PE 16:0/18:2ME7081399546747#N/A--
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)PI 16:0/18:2ME70810146891795#N/A--
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)PC 16:0/18:1ME7081046436017C13875--
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)PE 16:0/18:1ME7081005283496#N/A--
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*PI 16:0/18:1ME70822371296232#N/A--
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*PC 16:0/16:1ME7081996443788#N/A--
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)PC 16:0/18:0ME70819024778686C03889--
1-palmitoyl-GPC (16:0)LPC 16:0/0:0ME70811586554C04102--
1-palmitoyl-GPE (16:0)LPE 16:0/0:0ME7081339547069#N/A--
1-palmityl-2-linoleoyl-GPC (O-16:0/18:2)*-ME7082316443157#N/A--
1-palmityl-2-palmitoyl-GPC (O-16:0/16:0)*-ME708265145911#N/A--
1-palmityl-2-stearoyl-GPC (O-16:0/18:0)*-ME70826411803170#N/A--
1-palmityl-GPC (O-16:0)LPC O-16:0ME7081063983#N/A--
1-pentadecanoyl-2-arachidonoyl-GPC (15:0/20:4)*-ME70822752922330#N/A--
1-pentadecanoyl-2-docosahexaenoyl-GPC (15:0/22:6)*-ME70822852922342#N/A--
1-pentadecanoyl-2-linoleoyl-GPC (15:0/18:2)*-ME70821824778664#N/A--
1-pentadecanoyl-GPC (15:0)*-ME70814624779458#N/A--
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)PC 18:0/20:4ME70813816219824#N/A--
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)PE 18:0/20:4ME7081965289133C05210--
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)PI 18:0/20:4ME708107-#N/A--
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)PS 18:0/20:4ME70814024779545#N/A--
1-stearoyl-2-dihomo-linolenoyl-GPC (18:0/20:3n3 or...-ME708221-#N/A--
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)PC 18:0/22:6ME70818724778876#N/A--
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*PE 18:0/22:6ME7082049546798#N/A--
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*PC 18:0/18:2ME7081976441487#N/A--
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*PE 18:0/18:2ME7081959546749#N/A--
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)PI 18:0/18:2ME708206-#N/A--
1-stearoyl-2-meadoyl-GPC (18:0/20:3n9)*-ME70823424778855#N/A--
1-stearoyl-2-oleoyl-GPC (18:0/18:1)PC 18:0/18:1ME70818424778825#N/A--
1-stearoyl-2-oleoyl-GPE (18:0/18:1)PE 18:0/18:1ME7081379546742#N/A--
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*PI 18:0/18:1ME708238-#N/A--
1-stearoyl-GPC (18:0)LPC 18:0/0:0ME708118497300#N/A--
1-stearoyl-GPE (18:0)LPE 18:0/0:0ME7081269547068#N/A--
1-stearyl-GPC (O-18:0)*-ME7082332733532C04317--
1-tricosanoyl-GPC (23:0)*-ME708304-#N/A--
2-aminooctanoate2-Aminocaprylic acidME70816369522#N/A--
2-myristoyl-GPC (14:0)*-ME708131460604#N/A--
3-hydroxydecanoylcarnitineCAR 10:0;3OHME708308121454166#N/A--
3-hydroxyoleoylcarnitineCAR 18:1(9Z);3OHME708298129637446#N/A--
3-hydroxypalmitoylcarnitineCAR 16:0;3OHME708297126456228#N/A--
4-cholesten-3-oneCholestenoneME70814791477C00599--
5-dodecenoylcarnitine (C12:1)CAR 12:1(5)ME70829591825571#N/A--
alpha-tocopherolalpha-TocopherolME70809886472C02477--
arachidonoylcarnitine (C20:4)CAR 20:4ME708288136212424#N/A--
arachidonoylcholineArachidonoylcholineME708248122198216#N/A--
arachidoylcarnitine (C20)*CAR 20:0ME70828653477833#N/A--
behenoylcarnitine (C22)*CAR 22:0ME70828571464577#N/A--
behenoyl dihydrosphingomyelin (d18:0/22:0)*SM 18:0;O2/22:0ME70821444260132#N/A--
behenoyl sphingomyelin (d18:1/22:0)*SM 18:1;O2/22:0ME70817844260125#N/A--
bilirubin (E,E)*BilirubinME708143129320511#N/A--
bilirubin (Z,Z)BilirubinME7080975280352C00486--
biliverdinBiliverdinME7080925280353C00500--
campesterolCampesterolME708116173183C01789--
ceramide (d16:1/24:1, d18:1/22:1)*Cer 40:2;O2ME708269-#N/A--
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*Cer 38:1;O2ME708273-#N/A--
ceramide (d18:2/24:1, d18:1/24:2)*Cer 42:3;O2ME708270-#N/A--
cholesterolCholesterolME708093-C00187--
cis-3,4-methyleneheptanoylcarnitine-ME708310-#N/A--
cis-4-decenoylcarnitine (C10:1)CAR 10:1ME70814957357170#N/A--
decanoylcarnitine (C10)CAR 10:0ME70811410245190#N/A--
dihomo-linolenoylcarnitine (C20:3n3 or 6)*CAR 20:3ME708291-#N/A--
dihomo-linoleoylcarnitine (C20:2)*CAR 20:2ME708290-#N/A--
docosahexaenoylcholine-ME708249-#N/A--
eicosenoylcarnitine (C20:1)*CAR 20:1ME708289-#N/A--
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*HexCer 38:1;O2ME708294-#N/A--
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*HexCer 41:2;O2ME708272-#N/A--
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*HexCer 42:3;O2ME708271-#N/A--
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*HexCer 18:2;O2/22:0ME708266-#N/A--
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)HexCer 18:1;O2/16:0ME708246-#N/A--
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)HexCer 18:1;O2/18:0ME708142-#N/A--
hemeHemeME70812226945C00032--
heptadecenamide (17:1)*-ME70830271343948#N/A--
hexadecasphingosine (d16:1)*C16 SphingosineME70826814767871#N/A--
hydroxypalmitoyl sphingomyelin (d18:1/16:0(OH))**-ME708306-#N/A--
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)LacCer 18:1;O2/16:0ME70821753477895#N/A--
laurylcarnitine (C12)CAR 12:0ME708124168381#N/A--
lignoceroylcarnitine (C24)*CAR 24:0ME708287-#N/A--
lignoceroyl sphingomyelin (d18:1/24:0)SM 18:1;O2/24:0ME708181-#N/A--
linolenoylcarnitine (C18:3)*CAR 18:3ME708284-#N/A--
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*DG 18:2_20:4ME7082549543796#N/A--
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*DG 18:2_20:4ME7082559543796#N/A--
linoleoylcarnitine (C18:2)*CAR 18:2ME7081606450015#N/A--
linoleoylcholine*alpha-LinoleoylcholineME70827553481656#N/A--
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]...DG 18:2_22:6ME7082569543899#N/A--
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*DG 18:2_18:2ME7082599543729#N/A--
linoleoyl-linoleoyl-glycerol (18:2/18:2) [2]*DG 18:2_18:2ME7082609543729#N/A--
margaroylcarnitine (C17)*CAR 17:0ME70816153477803#N/A--
myristoleoylcarnitine (C14:1)*CAR 14:1ME708175129691961#N/A--
myristoylcarnitine (C14)CAR 14:0ME7081176426854#N/A--
myristoyl dihydrosphingomyelin (d18:0/14:0)*SM 18:0;O2/14:0ME70822044260138#N/A--
nervonoylcarnitine (C24:1)*CAR 24:1ME708293-#N/A--
nonadecenamide (19:1)*-ME708303-#N/A--
N-palmitoyl-phytosphingosine (t18:0/16:0)Cer 18:0;O3/16:0ME70829610506988#N/A--
N-palmitoyl-sphinganine (d18:0/16:0)Cer 18:0;O2/16:0ME7082165283572#N/A--
N-palmitoyl-sphingosine (d18:1/16:0)Cer 18:1;O2/16:0ME7080995283564#N/A--
N-stearoyl-sphingosine (d18:1/18:0)*Cer 18:1;O2/18:0ME7081055283565#N/A--
octadecanedioylcarnitine (C18-DC)*CAR DC18:0ME708174-#N/A--
octadecenedioylcarnitine (C18:1-DC)*CAR DC18:1ME708173-#N/A--
octanoylcarnitine (C8)CAR 8:0ME708113-C02838--
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*DG 18:1_20:4ME7082579543786#N/A--
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*DG 18:1_20:4ME7082589543786#N/A--
oleoylcarnitine (C18:1)CAR 18:1ME7081276441392#N/A--
oleoylcholineOleoylcholineME70824759040790#N/A--
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]DG 18:1_18:2ME70815614275396#N/A--
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]DG 18:1_18:2ME70815771433693#N/A--
palmitoleamide (16:1)*-ME708301-#N/A--
palmitoleoylcarnitine (C16:1)*CAR 16:1ME70825371464547#N/A--
palmitoylcarnitine (C16)CAR 16:0ME708112461C02990--
palmitoylcholinePalmitoylcholineME708245151731#N/A--
palmitoyl dihydrosphingomyelin (d18:0/16:0)*SM 18:0;O2/16:0ME7081919939965#N/A--
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*DG 16:0_18:2ME708222131801744#N/A--
palmitoyl sphingomyelin (d18:1/16:0)SM 18:1;O2/16:0ME7081459939941#N/A--
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...EPC 18:1;O2/16:0ME708309-#N/A--
pentadecanoylcarnitine (C15)*CAR 15:0ME708292123132011#N/A--
phosphatidylcholine (18:0/20:2, 20:0/18:2)*-ME708252-#N/A--
retinalRetinalME708162638015C00376--
retinol (vitamin A)RetinolME708096445354C00473--
sphingadienineSphingadienineME7082676449795#N/A--
sphinganineSphinganineME7080953126C00836--
sphinganine-1-phosphateSphinganine 1-phosphateME708141520#N/A--
sphingomyelin (d17:1/14:0, d16:1/15:0)*SM 31:1;O2ME708299-#N/A--
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...SM 33:1;O2ME708182-#N/A--
sphingomyelin (d17:2/16:0, d18:2/15:0)*SM 33:2;O2ME708283-#N/A--
sphingomyelin (d18:0/18:0, d19:0/17:0)*SM 36:0;O2ME70821544260130#N/A--
sphingomyelin (d18:0/20:0, d16:0/22:0)*SM 38:0;O2ME708276-#N/A--
sphingomyelin (d18:1/14:0, d16:1/16:0)*SM 32:1;O2ME70816411433862#N/A--
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)SM 35:1;O2ME70818946891763#N/A--
sphingomyelin (d18:1/18:1, d18:2/18:0)SM 36:2;O2ME7081446443882#N/A--
sphingomyelin (d18:1/19:0, d19:1/18:0)*SM 37:1;O2ME708277-#N/A--
sphingomyelin (d18:1/20:0, d16:1/22:0)*SM 38:1;O2ME70817644260124#N/A--
sphingomyelin (d18:1/20:1, d18:2/20:0)*SM 38:2;O2ME708177-#N/A--
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...SM 39:1;O2ME708213-#N/A--
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...SM 40:2;O2ME708179-#N/A--
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...SM 40:3;O2ME708180-#N/A--
sphingomyelin (d18:1/24:1, d18:2/24:0)*SM 42:2;O2ME70817244260126#N/A--
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...SM 43:1;O2ME708282-#N/A--
sphingomyelin (d18:2/14:0, d18:1/14:1)*SM 32:2;O2ME708171-#N/A--
sphingomyelin (d18:2/16:0, d18:1/16:1)*SM 34:2;O2ME708165-#N/A--
sphingomyelin (d18:2/18:1)*SM 18:2;O2/18:1ME70827852931155#N/A--
sphingomyelin (d18:2/21:0, d16:2/23:0)*SM 39:2;O2ME708280-#N/A--
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...SM 41:2;O2ME708193134757653#N/A--
sphingomyelin (d18:2/23:1)*SM 18:2;O2/23:1ME708281-#N/A--
sphingomyelin (d18:2/24:1, d18:1/24:2)*SM 42:3;O2ME70819485336023#N/A--
sphingomyelin (d18:2/24:2)*SM 18:2;O2/24:2ME708279-#N/A--
sphingosineSphingosineME7080945280335C00319--
sphingosine 1-phosphateSphingosine 1-phosphateME7081085283560C06124--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*DG 18:0_20:4ME7082616438587C00165--
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*DG 18:0_20:4ME7082626438587#N/A--
stearoylcarnitine (C18)CAR 18:0ME7081233006797#N/A--
stearoylcholine*StearoylcholineME70827490111#N/A--
stearoyl ethanolamideStearoyl-EAME70814827902#N/A--
stearoyl sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME7081036453725C00550--
tricosanoyl sphingomyelin (d18:1/23:0)*SM 18:1;O2/23:0ME708192-#N/A--
undecenoylcarnitine (C11:1)CAR 11:1ME708307-#N/A--


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-heptadecenoate (17:1n7)10Z-Heptadecenoic acidME7084505312435#N/A--
10-nonadecenoate (19:1n9)Nonadeca-10Z-enoic acidME7084495312513#N/A--
10-undecenoate (11:1n1)10-Hendecenoic acidME70843714891C13910--
12,13-DiHOME12,13-DiHOMEME70831110236635C14829--
12-HEPE12-HEPEME70850910041593#N/A--
12-HETE12-HETEME7085105283155C14777--
12-HHTrE12S-HHTrEME7083745283141C20388--
(12 or 13)-methylmyristate (a15:0 or i15:0)Isopentadecylic acidME708515151014#N/A--
13-HODE + 9-HODEHODEME708512-C14767,C14762--
14-HDoHE/17-HDoHE-ME708591-#N/A--
(14 or 15)-methylpalmitate (a17:0 or i17:0)Methylpalmitic acidME708525-C16995--
1,5-anhydroglucitol (1,5-AG)1,5-AnhydrosorbitolME70839664960C07326--
16-hydroxypalmitateJuniperic acidME70852810466C18218--
(16 or 17)-methylstearate (a19:0 or i19:0)Methyloctadecanoic acidME7085163083779#N/A--
18-methylnonadecanoate (i20:0)Isoarachidic acidME7086074383090#N/A--
1-arachidonoyl-GPA (20:4)LPA 20:4/0:0ME70854842607498#N/A--
1-arachidonoyl-GPI (20:4)*LPI 20:4/0:0ME708491121596217#N/A--
1-arachidonylglycerol (20:4)MG 20:4ME708461-C13857--
1-dihomo-linolenoyl-GPC (20:3n3 or 6)*-ME70847652924055#N/A--
1-dihomo-linolenoyl-GPE (20:3n3 or 6)*-ME708556-#N/A--
1-dihomo-linolenylglycerol (20:3)MG 20:3/0:0/0:0ME708569-#N/A--
1-docosahexaenoylglycerol (22:6)MG 22:6ME70847153480995#N/A--
1-docosahexaenoyl-GPE (22:6)*-ME70850685333229#N/A--
1-eicosapentaenoyl-GPC (20:5)*-ME708555-#N/A--
1-eicosapentaenoyl-GPE (20:5)*-ME70855153480938#N/A--
1-linolenoylglycerol (18:3)MG 18:3ME70846253480978#N/A--
1-linoleoylglycerol (18:2)MG 18:2ME7084205283469#N/A--
1-linoleoyl-GPA (18:2)*LPA 18:2/0:0ME708589-#N/A--
1-linoleoyl-GPG (18:2)*LPG 18:2/0:0ME708590-#N/A--
1-linoleoyl-GPI (18:2)*LPI 18:2/0:0ME70850111124828#N/A--
1-linoleoyl-GPS (18:2)*LPS 18:2ME708554-#N/A--
1-methyl-5-imidazolelactate-ME708641-#N/A--
1-oleoylglycerol (18:1)MG 18:1/0:0/0:0ME7084125283468#N/A--
1-oleoyl-GPG (18:1)*LPG 18:1/0:0ME708560-#N/A--
1-oleoyl-GPI (18:1)LPI 18:1/0:0ME70850086289645#N/A--
1-palmitoleoylglycerol (16:1)*MG 16:1ME708588-#N/A--
1-palmitoleoyl-GPI (16:1)*-ME708502-#N/A--
1-palmitoylglycerol (16:0)MG 16:0/0:0/0:0ME70840914900#N/A--
1-palmitoyl-GPA (16:0)LPA 16:0/0:0ME7084636419701C04036--
1-palmitoyl-GPG (16:0)*LPG 16:0/0:0ME7085613300276#N/A--
1-palmitoyl-GPI (16:0)LPI 16:0/0:0ME70849271296207#N/A--
1-palmitoyl-GPS (16:0)*LPS 16:0/0:0ME7085629547100#N/A--
1-palmityl-GPE (O-16:0)*-ME708598-#N/A--
1-stearoyl-GPA (18:0)LPA 18:0/0:0ME70849489567#N/A--
1-stearoyl-GPG (18:0)LPG 18:0/0:0ME708468-#N/A--
1-stearoyl-GPI (18:0)LPI 18:0/0:0ME708398-#N/A--
1-stearoyl-GPS (18:0)*LPS 18:0/0:0ME70854774819135#N/A--
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*2,3-Dihydroxy-5-methylthio-4-pentenoic acidME708634-#N/A--
2,3-diphosphoglycerate2,3-Diphosphoglyceric acidME708370186004C01159--
2,4-di-tert-butylphenol2,4-Ditert-butylphenolME708652-#N/A--
2,8-quinolinediol sulfate-ME708545-#N/A--
2-amino-p-cresol sulfate-ME708503-#N/A--
2-aminophenol sulfate2-Aminophenyl sulfateME708546181670#N/A--
2-arachidonoylglycerol (20:4)MG 20:4ME7083975282280C13856--
2-arachidonoyl-GPI (20:4)*-ME708518-#N/A--
2-butenoylglycine2-ButenoylglycineME7086036303498#N/A--
2'-deoxyuridineDeoxyuridineME70833913712C00526--
2-hydroxy-3-methylvalerate2-Hydroxy-3-methyl-pentanoic acidME708475164623#N/A--
2-hydroxyarachidate*2-Hydroxyeicosanoic acidME7086065225199#N/A--
2-hydroxybehenate2-Hydroxy behenic acidME708599193484#N/A--
2-hydroxydecanoate2-Hydroxycapric acidME70854221488#N/A--
2-hydroxylaurate2-Hydroxylauric acidME70858797783#N/A--
2-hydroxyoctanoate2-Hydroxyoctanoic acidME708403-#N/A--
2-hydroxyoleate2-Hydroxyoleic acidME7085959796304#N/A--
2-hydroxypalmitate2-Hydroxypalmitic acidME708480-#N/A--
2-hydroxysebacate2-Hydroxy-decanedioic acidME708624128458#N/A--
2-hydroxystearate2-Hydroxystearic acidME708372-C03042,C03045--
2-linoleoylglycerol (18:2)MG 18:2ME7084175365676#N/A--
2-methylbutyrylglycine2-MethylbutyrylglycineME708431193872#N/A--
2-methylcitrate/homocitrateHomocitric acidME708582-C01251--
2-naphthol sulfate2-Naphthyl sulfateME70862774428#N/A--
2-oleoylglycerol (18:1)MG 0:0/18:1(9Z)/0:0ME7084145319879#N/A--
2'-O-methyluridine2'-O-MethyluridineME708596102212#N/A--
(2 or 3)-decenoate (10:1n7 or n8)Decenoic acidME708642-#N/A--
2-palmitoleoyl-GPC (16:1)*LPC 0:0/16:1ME708477122164832#N/A--
2-palmitoyl-GPC (16:0)*LPC 0:0/16:0ME70847815061532#N/A--
2-stearoyl-GPE (18:0)*LPE 0:0/18:0ME708539-#N/A--
2-stearoyl-GPI (18:0)*-ME708529131770413#N/A--
3-(3-hydroxyphenyl)propionate sulfate3-(3-Sulfooxyphenyl)propanoic acidME708558187488#N/A--
3-(4-hydroxyphenyl)lactateHydroxyphenyllactic acidME7083239378C03672--
3-(4-hydroxyphenyl)propionateDesaminotyrosineME70852410394C01744--
3beta-hydroxy-5-cholestenoateCholestenoic acidME708575165511C17333--
3-bromo-5-chloro-2,6-dihydroxybenzoic acid*3-Bromo-5-chloro-2,6-dihydroxybenzoic acidME708648134581543#N/A--
3-dehydrocholate3-Dehydrocholic acidME708421159655#N/A--
3-formylindole1H-Indole-3-carboxaldehydeME70862010256C08493--
3-hydroxy-2-ethylpropionate2-Ethyl-hydracrylic acidME708432188979#N/A--
3-hydroxydecanoate3-Hydroxydecanoic acidME70841826612#N/A--
3-hydroxydodecanedioate*3-Hydroxy-dodecanedioic acidME70846716663321#N/A--
3-hydroxyhexanoate3S-Hydroxyhexanoic acidME708574151492#N/A--
3-hydroxylaurate3-Hydroxydodecanoic acidME70842694216#N/A--
3-hydroxyoctanoate3-Hydroxyoctanoic acidME70840426613C20793--
3-hydroxyoctanoylglycine-ME708632-#N/A--
3-hydroxyoleate*-ME708609-#N/A--
3-hydroxypalmitate3-Hydroxyhexadecanoic acidME70841615569776#N/A--
3-hydroxypyridine sulfate3-Hydroxypyridine sulfateME708567-#N/A--
3-hydroxystearate3-Hydroxystearic acidME7085865282907#N/A--
3-indoleglyoxylic acid-ME70862373863#N/A--
3-indoxyl sulfateIndoxyl sulfateME70839410258#N/A--
3-methyl-2-oxobutyrateKetoisovaleric acidME70841349C00141--
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME708390-C03465,C06008,C00671--
3-methylhistidine3-MethylhistidineME70839164969C01152--
3-phenylpropionate (hydrocinnamate)Hydrocinnamic acidME708386107C05629--
4-acetamidobenzoate4-Acetamidobenzoic acidME7085946918889D03836--
4-acetylphenol sulfate4-Acetylphenyl sulfateME7084024684006#N/A--
4-allylcatechol sulfate-ME708629-#N/A--
4-allylphenol sulfate4-Allylphenol sulfateME70850566633409#N/A--
4-chlorobenzoic acid4-Chlorobenzoic acidME7086516318C02370--
4-ethylcatechol sulfate-ME708628-#N/A--
4-ethylphenylsulfate4-EthylphenolME70849820822574C13637--
4-hydroxychlorothalonil4-HydroxychlorothalonilME70856634217#N/A--
4-hydroxycinnamatecis-p-Coumaric acidME708495637542C00811--
4-hydroxyhippurate4-Hydroxyhippuric acidME708459151012#N/A--
4-hydroxyphenylacetate4-Hydroxyphenyl acetateME708315127C00642--
4-hydroxyphenylacetate sulfate-ME708578-#N/A--
4-hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME708368979C01179--
4-methyl-2-oxopentanoateKetoleucineME70839570C00233--
4-methylbenzenesulfonateToluene-4-sulfonic acidME70851785570C06677--
4-methylcatechol sulfate-ME70854354104170#N/A--
4-methylhexanoylglycine-ME708631-#N/A--
5,6-dihydrouracilDihydrouracilME708363649C00429--
5,6-dihydrouridine5,6-DihydrouridineME70846094312#N/A--
5-dodecenoate (12:1n7)5-Dodecenoic acidME7084425312378#N/A--
5-HETE5-HETEME7085085280733C04805--
5-hydroxyhexanoate5-Hydroxycaproic acidME708428170748#N/A--
5-hydroxyindoleacetate5-Hydroxyindoleacetic acidME7083121826C05635--
5-methyluridine (ribothymidine)RibothymidineME708464445408#N/A--
5-oxoprolinePyroglutamic acidME708352-C02237,C01879--
6beta-hydroxylithocholateMurideoxycholic acidME7084895283821C15515--
6-hydroxyindole sulfate6-Hydroxyindole sulfateME708572122198196#N/A--
6-oxopiperidine-2-carboxylate6-oxopiperidine-2-carboxylic acidME7085493014237#N/A--
7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME7084843081085C17337--
7-ketodeoxycholate7-Ketodeoxycholic acidME708422188292#N/A--
8-hydroxyoctanoate8-Hydroxyoctanoic acidME70841569820#N/A--
9,10-DiHOME9,10-DiHOMEME7083179966640C14828--
aconitate [cis or trans]cis-Aconitic acidME708456-C004174,C02341--
adrenate (22:4n6)Adrenic acidME708435-C16527--
alpha-CEHCalpha-CEHCME7085139943542#N/A--
alpha-CEHC glucuronide*-ME708530134819285#N/A--
alpha-hydroxyisocaproate2-Hydroxyisocaproic acidME708400-C03264--
alpha-muricholatealpha-Muricholic acidME70845253477700C17647--
arachidate (20:0)Arachidic acidME70834610467C06425--
arachidonate (20:4n6)Arachidonic acidME708322444899C00219--
azelate (C9-DC)Azelaic acidME7083832266C08261--
benzoateBenzoic acidME708385243C00180--
beta-hydroxyisovalerate3-Hydroxyisovaleric acidME70837669362#N/A--
beta-muricholatebeta-Muricholic acidME7084235283853C17726--
bilirubin degradation product, C16H18N2O5 (2)**-ME708654-#N/A--
bilirubin degradation product, C16H18N2O5 (3)**-ME708660-#N/A--
bilirubin degradation product, C17H18N2O4 (1)**-ME708655-#N/A--
bilirubin degradation product, C17H18N2O4 (2)**-ME708656-#N/A--
bilirubin degradation product, C17H18N2O4 (3)**-ME708657-#N/A--
bilirubin degradation product, C17H20N2O5 (1)**-ME708658-#N/A--
bilirubin degradation product, C17H20N2O5 (2)**-ME708659-#N/A--
biopterinBiopterinME708379445040C06313--
branched chain 14:0 dicarboxylic acid**-ME708640-#N/A--
branched-chain, straight-chain, or cyclopropyl 10:...Decenoic acidME708643-#N/A--
branched-chain, straight-chain, or cyclopropyl 10:...-ME708644-#N/A--
branched-chain, straight-chain, or cyclopropyl 12:...-ME708649-#N/A--
butyrate/isobutyrate (4:0)Butyric acidME708369264C00246--
butyrylglycineN-ButyrylglycineME70843088412#N/A--
caprate (10:0)Capric acidME7083432969C01571--
caproate (6:0)Caproic acidME7083488892C01585--
caprylate (8:0)Caprylic acidME708349379C06423--
catechol sulfateCatechol sulfateME7084833083879#N/A--
C-glycosyltryptophanC-GlycosyltryptophanME70857710981970#N/A--
chenodeoxycholateChenodeoxycholic acidME70836110133C02528--
cholateCholic acidME708314221493C00695--
cis-3,4-methyleneheptanoylglycine-ME708653-#N/A--
cis-4-decenoate (10:1n6)*4Z-Decenoic acidME7085205282726#N/A--
cis-urocanateUrocanic acidME7085341549103#N/A--
citrateCitric acidME708362311C00158--
citronellic acidCitronellic acidME70864510402C16462--
corticosteroneCorticosteroneME7083255753C02140--
cysteine s-sulfateCysteine-S-sulfateME708408115015C05824--
daidzeinDaidzeinME7084405281708C10208--
daidzein sulfate (2)-ME70857312114465#N/A--
deoxycholateDeoxycholic acidME708326-C04483--
dihomo-linoleate (20:2n6)11Z,14Z-Eicosadienoic acidME7083716439848C16525--
dihomo-linolenate (20:3n3 or n6)Dihomo-gamma-linolenic acidME7084975280581C03242--
dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME708472135402011C00268--
dihydroferulateDihydroferulic acidME70853614340#N/A--
docosadienoate (22:2n6)13Z,16Z-Docosadienoic acidME7084345282807C16533--
docosadioate (C22-DC)Docosanedioic acidME7085277641C14240--
docosahexaenoate (DHA; 22:6n3)LPC 22:6ME708399445580C06429--
docosapentaenoate (n3 DPA; 22:5n3)DPAME7084336441454C16513--
docosapentaenoate (n6 DPA; 22:5n6)Docosapentaenoic acid (22n-6)ME7084816441454C16513--
docosatrienoate (22:3n3)13,16,19-Docosatrienoic acidME7084365312556C16534--
docosatrienoate (22:3n6)*Docosatrienoic acidME70860175955220#N/A--
dodecadienoate (12:2)*Dodecadienoic acidME70862625480#N/A--
dodecanedioate (C12-DC)Dodecanedioic acidME70842412736C02678--
dodecenedioate (C12:1-DC)*Traumatic acidME7086125283028#N/A--
eicosanedioate (C20-DC)Eicosanedioic acidME70852675502#N/A--
eicosapentaenoate (EPA; 20:5n3)Eicosapentaenoic acidME708384446284C06428--
eicosenedioate (C20:1-DC)*-ME708636-#N/A--
eicosenoate (20:1)cis-Gondoic acidME708454-C16526--
enterolactone sulfate-ME708625-#N/A--
equol sulfate-ME708535-#N/A--
erucate (22:1n9)cis-Erucic acidME708357-C08316--
ethyl glucuronideEthyl glucuronideME70852118392195#N/A--
flavin adenine dinucleotide (FAD)FADME708327643975C00016--
gamma-glutamyltyrosinegamma-GlutamyltyrosineME70836094340#N/A--
genistein sulfate*-ME708618-#N/A--
glucuronide of C10H18O2 (12)*-ME708616-#N/A--
glycerolGlycerolME708373753C00116--
glycine conjugate of C10H14O2 (1)*-ME708621-#N/A--
glycine conjugate of C6H10O2 (2)*-ME708646-#N/A--
glycine conjugate of C6H10O2 (3)*-ME708647-#N/A--
glyco-beta-muricholate**Glyco-beta-muricholic acidME708619-#N/A--
glycocholateGlycocholic acidME70832810140C01921--
guanosineGuanosineME7083596802C00387--
heptadecanedioate (C17-DC)-ME7086103083765#N/A--
heptanoate (7:0)Heptylic acidME7083478094C17714--
heptanoyl glycineN-HeptanoylglycineME70854410932172#N/A--
hexadecadienoate (16:2n6)Hexadecadienoic acidME70859313932172#N/A--
hexadecanedioate (C16-DC)Hexadecanedioic acidME70848610459C19615--
hexadecatrienoate (16:3n3)7,10,13-Hexadecatrienoic acidME70859291820460#N/A--
hexadecenedioate (C16:1-DC)*-ME708613-#N/A--
hexanoylglycineHexanoylglycineME70847499463#N/A--
hexanoyltaurine-ME7086382245940#N/A--
hippurateHippuric acidME708388464C01586--
histidineHistidineME7083296274C00135--
homovanillate sulfateHomovanillic acidME70851429981063#N/A--
hydroxy-undecanedioate (OH-C11:0-DC)*-ME708650-#N/A--
hyocholateHyocholic acidME70845192805C17649--
hyodeoxycholateHyodeoxycholic acidME7084065283820C15517--
hypoxanthineHypoxanthineME708316-C00262--
indole-3-carboxylateIndole-3-carboxylic acidME70851169867C19837--
indoleacetateIndoleacetic acidME708419802C00954--
indoleacetylglycineN-IndoleacetylglycineME708581446640#N/A--
indoleacrylateIndoleacrylic acidME7084075375048#N/A--
indolelactateIndolelactic acidME70839392904C02043--
indoxyl glucuronideInodxyl glucuronideME7085842733785#N/A--
inosineInosineME7083306021C00294--
isobutyrylglycineIsobutyrylglycineME70848210855600#N/A--
isocaproylglycineIsocaproylglycineME70860428777652#N/A--
isovalerate (i5:0)Isovaleric acidME70840110430C08262--
isovalerylglycineIsovalerylglycineME708466546304#N/A--
kynurenateKynurenic acidME7083133845C01717--
laurate (12:0)Lauric acidME7083193893C02679--
linoleate (18:2n6)Linoleic acidME7083185280450C01595--
linolenate [alpha or gamma; (18:3n3 or 6)]Octadecatrienoic acidME708455-C06426,C06427--
linoleoyl ethanolamideLinoleoyl-EAME7085805283446#N/A--
malateMalic acidME708331525C00149,C00711,C00497--
margarate (17:0)Margaric acidME70834410465#N/A--
mead acid (20:3n9)ETrE(5Z,8Z,11Z)ME7084705312531#N/A--
methyl-4-hydroxybenzoate sulfateMethyl-4-hydroxybenzoate sulfateME70856810657183#N/A--
methyl vanillate sulfate-ME708630-#N/A--
myristate (14:0)Myristic acidME70833711005C06424--
myristoleamide (14:1)*-ME708633-#N/A--
myristoleate (14:1n5)Myristoleic acidME7084385281119C08322--
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME70846969698C05842--
N2,N5-diacetylornithineN2,N5-DiacetylornithineME70855365977#N/A--
N2,N6-diacetyllysineN,N'-Diacetyl-lysineME70857091827#N/A--
N6-acetyllysineN6-AcetyllysineME70849692832C02727--
N6-carbamoylthreonyladenosineN6-Carbamoyl-L-threonyladenosineME708457161466#N/A--
N6-succinyladenosineSuccinyladenosineME708493165243#N/A--
N-acetyl-2-aminooctanoate*N-Acetyl-2-aminooctanoic acidME70861795555#N/A--
N-acetyl-beta-alanineN-Acetyl-beta-alanineME70850776406C01073--
N-acetylcitrullineN-AcetylcitrullineME708479656979C15532,C02851--
N-acetylisoleucineN-AcetylisoleucineME708448306109#N/A--
N-acetylkynurenine (2)N-AcetylkynurenineME70857673817779#N/A--
N-acetylleucineN-AcetylleucineME70835470912C02710--
N-acetylmethionineN-AcetylmethionineME708355448580C02712--
N-acetylphenylalanineN-AcetylphenylalanineME70844574839C03519--
N-acetyltaurineN-AcetyltaurineME708559159864#N/A--
N-acetylthreonineN-AcetylthreonineME708447152204#N/A--
N-acetyltryptophanN-Acetyl-tryptophanME708444-C03137--
N-acetyltyrosineN-AcetyltyrosineME70842568310#N/A--
N-acetylvalineN-AcetylvalineME70835666789#N/A--
N-delta-acetylornithineN(5)-Acetyl-ornithineME7085509920500C00437--
neopentyl glycol azelate**-ME708661-#N/A--
N-formylmethionineN-FormylmethionineME708320439750C03145--
N-formylphenylalanineN-FormylphenylalanineME708565-#N/A--
nisinate (24:6n3)THAME70860211792612#N/A--
N-linoleoyltaurine*N-Linoleoyl taurineME70856352922081#N/A--
N-octanoylglycineCapryloylglycineME70854184290#N/A--
N-oleoylserineNASer 18:1(9Z)ME70860044190514#N/A--
N-oleoyltaurineN-Oleoyl taurineME7085316437033#N/A--
nonadecanedioate (C19-DC)-ME70861112572015#N/A--
nonadecanoate (19:0)Nonadecylic acidME70834512591C16535--
N-palmitoleoyltaurine*-ME708564-#N/A--
N-palmitoylglycineN-Palmitoyl glycineME708537151008#N/A--
N-palmitoyltaurineN-Palmitoyl taurineME70853214504290#N/A--
N-stearoylserine*N-Stearoyl serineME708608-#N/A--
N-stearoyltaurineN-Stearoyl taurineME708533168274#N/A--
o-cresol sulfateo-Cresol sulfateME70850411615528#N/A--
octadecadienedioate (C18:2-DC)*Octadecanedioic acidME708615-#N/A--
octadecanedioate (C18-DC)Octadecanedioic acidME70848770095#N/A--
octadecenedioate (C18:1-DC)-ME7086149543674#N/A--
oleamideOleamideME7083785283387C19670--
oleate/vaccenate (18:1)Oleic acidME708583-C21944,C08367,C01712,C00712--
oleoyl ethanolamideOleoyl-EAME7083675283454#N/A--
O-sulfo-tyrosineSulfotyrosineME708557514186#N/A--
oxalate (ethanedioate)Oxalic acidME708411971C00209--
palmitamide (16:0)-ME70854069421#N/A--
palmitate (16:0)Palmitic acidME708332985C00249--
palmitoleate (16:1n7)Palmitoleic acidME708334445638C08362--
palmitoyl ethanolamidePalmitoyl-EAME7083774671C16512--
pantothenatePantothenic acidME7083536613C00864--
p-cresol glucuronide*P-Cresol glucuronideME708571154035#N/A--
p-cresol sulfatep-Cresol sulfateME7084534615423#N/A--
pentadecanoate (15:0)Pentadecylic acidME70835013849C16537--
perfluorooctanesulfonate (PFOS)Perfluorooctanesulfonic acidME70859774483C18142--
phenol glucuronidePhenyl glucuronideME70857987235#N/A--
phenol sulfatePhenyl hydrogen sulfateME70847374426C02180--
phenylacetatePhenyl acetateME708387999C07086--
phenylacetylglutaminealpha-N-PhenylacetylglutamineME70845892258C04148--
phenylacetyltaurine-ME7085852179693#N/A--
phenyllactate (PLA)Phenyllactic acidME7084053848C05607--
phenylpyruvatePhenylpyruvic acidME708324997C00166--
phosphoenolpyruvate (PEP)Phosphoenolpyruvic acidME7083351005C00074--
picolinoylglycinePicolinoylglycineME70863711788622#N/A--
propionylglycinePropionylglycineME70842998681#N/A--
pseudouridinePseudouridineME70834015047C02067--
pyridoxate4-Pyridoxic acidME7084276723C00847--
riboflavin (vitamin B2)RiboflavinME708336493570C00255--
S-(3-hydroxypropyl)mercapturic acid (HPMA)N-Acetyl-S-(3-hydroxypropyl)-cysteineME708552119083#N/A--
S-adenosylhomocysteine (SAH)S-AdenosylhomocysteineME708321439155C00021--
sebacate (C10-DC)Sebacic acidME7084395192C08277--
sedoheptulose-7-phosphateSedoheptulose 7-phosphateME708490616C05382--
S-methylglutathioneS-MethylglutathioneME708446115260C11347--
stearate (18:0)Stearic acidME7083335281C01530--
stearidonate (18:4n3)Stearidonic acidME7084415312508C16300--
suberate (C8-DC)Suberic acidME70838910457C08278--
sulfate*SulfateME7085195152822C00059--
tartronate (hydroxymalonate)Hydroxypropanedioic acidME70841045C02287--
tauro-beta-muricholateTauro-beta-muricholic acidME708443-#N/A--
taurochenodeoxycholateTaurochenodeoxycholic acidME708380387316C05465--
taurocholateTaurocholic acidME708381-C05122--
taurodeoxycholateTaurodeoxycholic acidME7083822733768C05463--
taurohyodeoxycholic acidTaurohyodeoxycholic acidME70853812443252#N/A--
tauroursodeoxycholateTauroursodeoxycholic acidME7085229848818#N/A--
tetradecadienedioate (C14:2-DC)*-ME70863586018718#N/A--
tetradecadienoate (14:2)*Tetradecadienoic acidME7086225312409#N/A--
tetradecanedioate (C14-DC)Tetradecanedioic acidME70848513185#N/A--
thromboxane B2TXB2ME7083755283137C05963--
thymidineThymidineME7083415789C00214--
thymineThymineME7083421135C00178--
thymol sulfate-ME70849912456386C09908--
thyroxineThyroxineME7083585819C01829--
trans-2-hexenoylglycine-ME708605-#N/A--
undecanedioate (C11-DC)Undecanedioic acidME70848815816#N/A--
urateUric acidME7083641175C00366--
uridineUridineME7083386029C00299--
ursocholateUrsocholic acidME708523122340C17644--
ursodeoxycholateUrsodeoxycholic acidME70836531401C07880--
valerate (5:0)Valeric acidME7083667991C00803--
valerylglycineValerylglycineME7084654737557#N/A--
vanillic acid glycine-ME7086393083688#N/A--
xanthineXanthineME7083511188C00385--
xanthosineXanthosineME70839264959C01762--


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2,2'-methylenebis(6-tert-butyl-p-cresol)-ME7087578398#N/A--
2,3-dihydroxy-2-methylbutyrate2,3-Dihydroxy-2-methylbutanoic acidME708754301941#N/A--
2,3-dihydroxyisovalerate2,3-Dihydroxyisovaleric acidME708738677C04039--
2,6-dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME7087599338#N/A--
2-aminoadipatealpha-Aminoadipic acidME70867992136C00956--
2-hydroxy-4-(methylthio)butanoic acid2-Hydroxy-4-(methylthio)butanoic acidME70876111427#N/A--
2-hydroxyadipate2-Hydroxyadipic acidME708722193530C02360--
2-hydroxybutyrate/2-hydroxyisobutyrate2-Hydroxybutyric acid/2-Hydroxyisobutyric acidME708751-C21297,C05984--
2-hydroxyphenylacetate2-Hydroxyphenylacetic acidME70867011970C05852--
2-isopropylmalate2-Isopropylmalic acidME70871177C02504--
2-ketogulonate-ME708704102424C15673--
2-O-methylascorbic acid2-O-Methylascorbic acidME70874354726398#N/A--
2-oxoadipateOxoadipic acidME70866371C00322--
2R,3R-dihydroxybutyrate4-Deoxyerythronic acidME70873613120901#N/A--
2S,3R-dihydroxybutyrate4-Deoxythreonic acidME70873510964471#N/A--
3,4-dihydroxybutyrate3,4-Dihydroxybutyric acidME708732150929#N/A--
3-hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME708666-C03761--
3-hydroxyadipate3-Hydroxy-adipic acidME708745151913#N/A--
3-hydroxybutyrate (BHBA)3-Hydroxybutyric acidME708672-C03197,C01089--
3-hydroxyisobutyrate3-Hydroxyisobutyric acidME70866511966314C01188,C06001--
3-hydroxysuberate3-Hydroxysuberic acidME70872122328017#N/A--
3-methylglutaconate3E-Methylglutaconic acidME7087391551553#N/A--
3-ureidoisobutyrateUreidoisobutyric acidME708727160663C05100--
adipate (C6-DC)Adipic acidME708716196C06104--
allantoic acidAllantoic acidME708668203C00499--
allantoinAllantoinME708695-C02348,C01551,C02350--
allo-threonineAllothreonineME70870899289C05519--
alpha-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME70872499823#N/A--
alpha-ketoglutaramate*2-Keto-glutaramic acidME70873748C00940--
alpha-ketoglutarate2-Oxoglutaric acidME70866451C00026--
arabinoseArabinoseME70868966308C00216--
arabitol/xylitolArabitolME708749-C00379,C00542,C01904--
arabonate/xylonateArabinonic acid/Xylonic acidME708747-C00502,C05411--
ascorbic acid 2-sulfate-ME70875354676864#N/A--
ascorbic acid 3-sulfate*-ME70875811425365#N/A--
cholesterol sulfateCholesterol sulfateME70872965076C18043--
citraconate/glutaconateCitraconic acid/Glutaconic acidME708750-C02226,C02214--
creatine phosphatePhosphocreatineME708706-C02305--
cystineCystineME70867367678C00491--
decadienedioic acid (C10:2-DC)**-ME70876317789717#N/A--
dihydroorotate4,5-Dihydroorotic acidME708693648C00337--
erythritolErythritolME708715222285C00503--
erythronate*Erythronic acidME7087252781043#N/A--
ethylmalonateEthylmalonic acidME70870311756#N/A--
fructoseFructoseME7086902723872C00095--
fumarateFumaric acidME708675444972C00122--
galactonateGalactonic acidME708720-C00880,C15930--
gluconateGluconic acidME708676-C00257--
glucoseGlucoseME7086835793C00031--
glucose 6-phosphateGlucose 6-phosphateME7086745958C00092--
glucuronateGlucuronic acidME708707-C16245--
glutarate (C5-DC)Glutaric acidME708677-C00489--
glycerateGlyceric acidME708696-C00258--
glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME70873054575349C03274--
glycolate (hydroxyacetate)Glycolic acidME708667757C00160--
guanidinosuccinateGuanidinosuccinic acidME708723439918C03139--
gulonate*Gulonic acidME708728152304C00800--
heptenedioate (C7:1-DC)*-ME708756-#N/A--
homocitrullineHomocitrullineME70871765072C02427--
hydantoin-5-propionateHydantoin-5-propionic acidME708740782C05565--
isocitric lactoneIsocitric acid lactoneME70875298259#N/A--
itaconateItaconic acidME708712811C00490--
lactateLactic acidME708682612C00186--
lyxonateD-Lyxonic acidME708755-#N/A--
maleateMaleic acidME708713444266C01384--
malonateMalonic acidME708685867C00383--
maltoseMaltoseME70869110991489C00208--
mannitol/sorbitolSorbitolME708733-C00392,C00794--
mannonate*Mannonic acidME7087443246006#N/A--
mannoseMannoseME708684-C00159,C02209,C00936--
methylmalonate (MMA)Methylmalonic acidME708680487C02170--
methylsuccinateMethylsuccinic acidME70870210349#N/A--
mevalonateMevalonic acidME708662449C02104--
myo-inositolMyo-inositolME708678892C00137--
N2-acetyllysineN(2)-AcetyllysineME70873192907C12989--
N-acetylalanineN-AcetylalanineME70869888064C02847--
N-acetylaspartate (NAA)N-Acetylaspartic acidME70871465065C01042--
N-acetyl-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME708700440364C04256--
N-acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME708701439219C00357--
N-acetylglutamateN-Acetylglutamic acidME70870970914C00624--
N-acetylneuraminateN-Acetylneuraminic acidME708699439197C00270--
N-acetylserineN-AcetylserineME70873465249#N/A--
N-carbamoylaspartateN-Carbamoylaspartic acidME70869793072C00438--
N-formylanthranilic acidFormylanthranilic acidME708746101399C05653--
orotateOrotic acidME708681967C00295--
orotidineOrotidineME70872692751#N/A--
pentose acid*Valeric acidME7087627991C00803--
pimelate (C7-DC)Pimelic acidME708705385C02656--
pyruvatePyruvic acidME7086861060C00022--
ribitolRibitolME7087106912C00379,C01904,C00474,C00532--
ribonateRibonic acidME7087185460677C01685--
riboseRiboseME7086925779C00121--
ribose 1-phosphateRibose 1-phosphateME708669439236C00620--
ribulose/xylulose-ME708748-#N/A--
sedoheptuloseGlucoheptuloseME7087415459879C02076--
S-methylcysteineMethylcysteineME708742-#N/A--
succinateSuccinic acidME7086711110C00042--
succinoyltaurine-ME708760-#N/A--
sucroseSucroseME7086945988C00089--
threonateThreonic acidME708719-C01620--
uracilUracilME7086871174C00106--
xyloseXyloseME708688135191C00181--


  logo