Return to study ST001789 main page

Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
11,12-DiHETrE11,12-DiHETrEME4148935283146C14774--
11,12-Epoxyeicosatrienoic acid11,12-EpETrEME4148945353269---
11-Dehydro-thromboxane B211-Dehydro-TXB2ME41489553477781C05964--
11-deoxycorticosterone11-DeoxycorticosteroneME4148966166C03205--
11-deoxycortisol11-DeoxycortisolME41489753477676C05488--
11-HETE11-HETEME41489814123410---
1,25-Dihydroxyvitamin D31alpha,25-Dihydroxyvitamin D3ME4148925280453C01673--
12-HETE12-HETEME4148995312983C14777--
13,14-Dihydro-15-keto PGF2a13,14-Dihydro-15-keto-PGF2alphaME4149005283039---
13S-hydroxyoctadecadienoic acid13S-HODEME4149016443013C14762--
14,15-DHET14,15-DiHETrEME4149025283147C14775--
14,15-Epoxy-5,8,11-eicosatrienoic acid14,15-EpETrEME4149035283205C14771--
15-HETE15-HETEME4149049966861C04742--
17alpha-hydroxypregnenolone17alpha-HydroxypregnenoloneME41490591451C05138--
17alpha-hydroxyprogesterone17alpha-HydroxyprogesteroneME4149066238C01176--
1-deoxysphinganine(m18:0)-ME414907----
1-deoxysphingosine(m18:1)-ME414908----
1-Methyladenine1-MethyladenineME41490978821C02216--
1-Methyladenosine1-MethyladenosineME41491027476C02494--
1-Methylhistidine1-MethylhistidineME41491192105C01152--
1-Methylnicotinamide1-Methyl nicotinamideME414912457C02918--
1-Pyrroline-5-carboxylic acid1-Pyrroline-5-carboxylic acidME414913440162---
20-Hydroxyeicosatetraenoic acid20-HETEME4149155283157C14748--
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME414914186004C01159--
24,25-Dihydrolanosterol24,25-DihydrolanosterolME414916440560C05109--
24,25-Epoxycholesterol24,25-EpoxycholesterolME4149173247059---
2-ArachidonylglycerolMG 20:4ME4149185282280C13856--
2-Deoxyguanosine 5-monophosphatedGMPME41491965059C00362--
2-Deoxyinosine triphosphatedITPME414920146302C01345--
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME41492199823---
2-Hydroxyglutarate2-Hydroxyglutaric acidME41492243C02630--
2-Isopropylmalic acid2-Isopropylmalic acidME4149235280523C02504--
2-Ketobutyric acid3-Methyl pyruvic acidME41492458C00109--
2-Keto-L-gluconate2-Keto-L-gulonic acidME41492550C03342--
2-Methylcitric acid2-Methylcitric acidME414926515C02225--
2-OctenoylcarnitineCAR 8:1(2)ME41492753481667---
2-Picolinic acidPicolinic acidME4149281018C10164--
2-Pyrocatechuic acid2-Pyrocatechuic acidME41492919C00196--
3, 5-TetradecadiencarnitineCAR 14:2(3,5)ME41493053481681---
3-Aminoisobutyric acid3-Aminoisobutanoic acidME41493164956C05145--
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME41493286C00632--
3-Hydroxy-cis-5-tetradecenoylcarnitineCAR 14:1;OHME41493353481699---
3-HydroxydodecanoylcarnitineCAR 12:0;OHME41493471464535---
3-HydroxyhexadecanoylcarnitineCAR 16:0;3OHME414935126456228---
3-HydroxyhexadecenoylcarnitineCAR 12:1;OHME41493653481699---
3-HydroxyhexanoylcarnitineCAR 6:0;3OHME414937----
3-Hydroxyisovaleryl CarnitineCAR 4:0;OH,MeME414938----
3-HydroxylinoleylcarnitineCAR 18:2;OHME414939----
3-HydroxyoleoylcarnitineCAR 18:1(9Z);3OHME414940----
3-methyladenine3-MethyladenineME4149411673C00913--
3-methylphenylacetic acid3-Methylphenylacetic acidME41494212121---
3-Methylthiopropionic acid3-Methyl-thiopropionic acidME414943563C08276--
3-Phosphoglyceric acid3-Phosphoglyceric acidME414944724C00597--
4,5-Dihydroorotic acid4,5-Dihydroorotic acidME414945648C00337--
4-Ethylphenyl sulfate4-EthylphenolME414946----
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME414947135C00156--
4-Hydroxynonenal4-HydroxynonenalME4149485283344---
4-Hydroxyphenyllactic acid4-Hydroxyphenyllactic acidME4149499378C03672--
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME414950979C01179--
4-Pyridoxic acid4-Pyridoxic acidME4149516723C00847--
5,6-DHET5,6-DiHETrEME4149525283142C14772--
5,6-trans-25-Hydroxyvitamin D35,6-trans-25-Hydroxyvitamin D3ME41495353477885---
5alpha-CholestanolDihydrocholesterolME4149546665---
5-HETE5-HETEME4149555280733C04805--
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME4149561826C05635--
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME414957439280C00643--
5-Methyltetrahydrofolic acid5-Methyl-THFME414958439234C00440--
5-Methylthioadenosine5'-MethylthioadenosineME414959439176C00170--
5-Thymidylic aciddTMPME4149609700C00364--
6-Phosphogluconic acid6-Phosphogluconic acidME41496191493C00345--
7-Dehydrocholesterol7-DehydrocholesterolME414962439423C01164--
7-ketocholesterol7-Oxo-cholesterolME41496353477696---
7-methylguanine7-MethylguanineME41496411361C02242--
7-Methylguanosine7-MethylguanosineME414965445404---
8,9-DiHETrE8,9-DiHETrEME4149665283144C14773--
8,9-Epoxyeicosatrienoic acid8,9-EpETrEME4149675283203C14769--
8-HETE8-HETEME4149685283154C14776--
8-Hydroxy-deoxyguanosine8-Hydroxy-deoxyguanosineME41496973318---
8-hydroxyguanosine8-HydroxyguanosineME41497065131---
9-DecenoylcarnitineCAR 10:1(9)ME41497153481651---
9-HETE9-HETEME4149725312978---
9-HexadecenoylcarnitineCAR 16:1ME41497353481653---
Acetoacetic acidAcetoacetic acidME41497496C00164--
AcetylcholineAcetylcholineME4149756060C01996--
Acetyl-CoAAcetyl-CoAME414976444493C00024--
AdenineAdenineME414977190C00147--
AdenosineAdenosineME41497860961C00212--
Adenosine diphosphateADPME4149796022C00008--
Adenosine monophosphateAMPME4149806083C00020--
Adenosine phosphosulfateAdenosine phosphosulfateME41498110238C00224--
Adenosine triphosphateATPME4149825957C00002--
AdenosylcobalaminAdenosylcobalaminME414983-C00194--
Adenylsuccinic acidAdenylsuccinic acidME414984440122C03794--
Adipic acidAdipic acidME414985196C06104--
AdipoylcarnitineCAR DC5:0ME414986----
AgmatineAgmatineME414987199C00179--
AICARAICARME41498865110C04677--
AlanineAlanineME4149895950C00041--
AldosteroneAldosteroneME41499024758425C01780--
Allantoic acidAllantoic acidME414991203C00499--
AllantoinAllantoinME414992204C01551--
Alpha-ketoisovaleric acidKetoisovaleric acidME41499349C00141--
Alpha-Tocopherolalpha-TocopherolME41499414985C02477--
Aminoadipic acidAminoadipic acidME414995469C00956--
AnandamideArachidonoyl-EAME4149965281969C11695--
Androsterone sulfate5alpha-Androstane-3alpha-ol-17-one sulfateME414997159663---
Arachidonic AcidArachidonic acidME414998444899C00219--
Arachidonyl carnitineCAR 20:4ME41499953477832---
ArginineArginineME4150006322C00062--
Argininosuccinic acidArgininosuccinic acidME41500116950C03406--
Ascorbic acidVitamin CME41500254670067C01041--
AspartylglycosamineAspartylglycosamineME415003123826C04540--
AstaxanthinAstaxanthinME4150045281224C08580--
Azelaic acidAzelaic acidME4150052266C08261--
B-Carotenebeta-CaroteneME4150065280489C02094--
Benzoic acidBenzoic acidME415007243C00539--
beta-Alaninebeta-AlanineME415008239C00099--
BetaineBetaineME415009247C00719--
Betaine aldehydeBetaine aldehydeME415010249C00576--
BiotinBiotinME415011171548C00120--
BMP(16:0/16:0)-ME415012----
BMP(18:1/16:0)-ME415013----
BMP(18:1/16:1)-ME415014----
BMP(18:1/18:0)-ME415015----
BMP(18:1/18:1)-ME415016----
BMP(18:1/18:2)-ME415017----
BMP(18:1/20:4)-ME415018----
BMP(18:1/22:5)-ME415019----
BMP(18:1/22:6)-ME415020----
BMP(20:4/22:6)-ME415021----
BMP(22:5/22:6)-ME415022----
BMP(22:6/22:6)-ME415023----
ButyrylcarnitineCAR 4:0ME415024439829C02862--
CarbamoylphosphateCarbamoylphosphateME415025278C00169--
CarnosineCarnosineME415026439224C00386--
CDP-cholineCDP-cholineME41502713804C00307--
Ceramide(d18:1/12:0)Cer 18:1;O2/12:0ME415030----
Ceramide(d18:1/16:0)Cer 18:1;O2/16:0ME415032----
Ceramide(d18:1/16:0 OH)Cer 18:1;O2/16:0;OME415031----
Ceramide(d18:1/16:1)Cer 18:1;O2/16:1ME415034----
Ceramide(d18:1/16:1 OH)Cer 18:1;O2/16:1;OME415033----
Ceramide(d18:1/16:2)Cer 18:1;O2/16:2ME415036----
Ceramide(d18:1/16:2 OH)Cer 18:1;O2/16:2;OME415035----
Ceramide(d18:1/18:0)Cer 18:1;O2/18:0ME415038----
Ceramide(d18:1/18:0 OH)Cer 18:1;O2/18:0;OME415037----
Ceramide(d18:1/18:1)Cer 18:1;O2/18:1ME415040----
Ceramide(d18:1/18:1 OH)Cer 18:1;O2/18:1;OME415039----
Ceramide(d18:1/18:2)Cer 18:1;O2/18:2ME415042----
Ceramide(d18:1/18:2 OH)Cer 18:1;O2/18:2;OME415041----
Ceramide(d18:1/20:0)Cer 18:1;O2/20:0ME415044----
Ceramide(d18:1/20:0 OH)Cer 18:1;O2/20:0;OME415043----
Ceramide(d18:1/20:1)Cer 18:1;O2/20:1ME415046----
Ceramide(d18:1/20:1 OH)Cer 18:1;O2/20:1;OME415045----
Ceramide(d18:1/20:2)Cer 18:1;O2/20:2ME415048----
Ceramide(d18:1/20:2 OH)Cer 18:1;O2/20:2;OME415047----
Ceramide(d18:1/22:0)Cer 18:1;O2/22:0ME415050----
Ceramide(d18:1/22:0 OH)Cer 18:1;O2/22:0;OME415049----
Ceramide(d18:1/22:1)Cer 18:1;O2/22:1ME415051----
Ceramide(d18:1/22:2)Cer 18:1;O2/22:2ME415053----
Ceramide(d18:1/22:2 OH)Cer 18:1;O2/22:2;OME415052----
Ceramide(d18:1/23:0) or Ceramide(d18:1/22:1 OH)-ME415054----
Ceramide(d18:1/24:0)Cer 18:1;O2/24:0ME415056----
Ceramide(d18:1/24:0 OH)Cer 18:1;O2/24:0;OME415055----
Ceramide(d18:1/24:1)Cer 18:1;O2/24:1ME415057----
Ceramide(d18:1/24:2)Cer 18:1;O2/24:2ME415059----
Ceramide(d18:1/24:2 OH)Cer 18:1;O2/24:2;OME415058----
Ceramide(d18:1/25:0)Cer 18:1;O2/25:0ME415060----
Ceramide(d18:1/26:0)Cer 18:1;O2/26:0ME415062----
Ceramide(d18:1/26:0 OH)Cer 18:1;O2/26:0;OME415061----
Ceramide(d18:1/26:1)Cer 18:1;O2/26:1ME415064----
Ceramide(d18:1/26:1 OH)Cer 18:1;O2/26:1;OME415063----
Ceramide(d18:1/26:2)Cer 18:1;O2/26:2ME415066----
Ceramide(d18:1/26:2 OH)Cer 18:1;O2/26:2;OME415065----
Cer(t18:0/16:0)Cer 18:0;O3/16:0ME41502853480650---
Cer(t18:0/24:0)Cer 18:0;O3/24:0ME41502910462091---
Chenodeoxycholic acidChenodeoxycholic acidME41506710133C02528--
Chenodeoxyglycocholic acidGlycochenodeoxycholic acidME41506853477907C05462--
CholestenoneCholestenoneME41506991477C00599--
CholesterolCholesterolME4150705997C00187--
Cholesteryl sulfateCholesterol sulfateME41507165076C18043--
Cholic acidCholic acidME415072221493C00695--
CholineCholineME415073305C00114--
CinnamoylglycineCinnamoylglycineME415074709625---
cis-aconitic acidcis-Aconitic acidME415075643757C00417--
Citramalic acidCitramalic acidME415076441696C00815--
Citric acidCitric acidME415077311C00158--
CitrullineCitrullineME4150789750C00327--
CL(18:2/18:1/18:1/20:4)CL 18:2/18:1/18:1/20:4ME415079131819346---
CL(18:2/18:2/16:1/16:1)CL 18:2/18:2/16:1/16:1ME415080131819144---
CL(18:2/18:2/18:1/18:1)CL 18:2/18:2/18:1/18:1ME41508153480370---
CL(18:2/18:2/18:2/16:1)CL 18:2/18:2/18:2/16:1ME41508253480379---
CL(18:2/18:2/18:2/18:1)CL 18:2/18:2/18:2/18:1ME41508353480380---
CL(18:2/18:2/18:2/18:2)CL 18:2/18:2/18:2/18:2ME41508453480378---
CL(18:2/18:2/18:2/20:4)CL 18:2/18:2/18:2/20:4ME415085118702645---
CL(18:2/18:2/18:2/22:6)CL 18:2/18:2/18:2/22:6ME415086131769046---
CoACoenzyme AME41508787642C00010--
Coproporphyrin ICoproporphyrin IME415088-C05769--
CoQ10Coenzyme Q10ME4150895926222C11378--
CoQ10H2Coenzyme Q10ME4150909962735---
CoQ9Coenzyme Q9ME4150915280473C01967--
CoQ9H2Coenzyme Q9ME415092----
CorticosteroneCorticosteroneME4150935753C02140--
CortisolCortisolME415094657311C00735--
CortisoneCortisoneME415095225609C00762--
CreatineCreatineME415096586C00300--
CreatinineCreatinineME415097588C00791--
CyanocobalaminCyanocobalaminME415098-C02823--
Cyclic adenosine monophosphate3',5' cyclic AMPME4150996076C00575--
CysteamineCysteamineME4151006058C01678--
CysteineCysteineME4151015862C00097--
Cysteine-S-sulfateCysteine-S-sulfateME415102115015C05824--
CytidineCytidineME4151036253C00475--
Cytidine diphosphateCDPME4151046132C00112--
Cytidine diphosphate ethanolamineCDP-EthanolamineME415105123727C00570--
Cytidine monophosphateCMPME4151066131C00055--
Cytidine triphosphateCTPME4151076176C00063--
CytosineCytosineME415108597C00380--
DecanoylcarnitineCAR 10:0ME41510910245190---
Dehydroascorbic acidL-Dehydroascorbic acidME4151107786C05422--
DehydroepiandrosteroneDehydroepiandrosteroneME4151119860744C01227--
Dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME41511212594C04555--
DeoxyadenosineDeoxyadenosineME41511313730C00559--
Deoxyadenosine diphosphatedADPME41511453477733C00206--
Deoxyadenosine monophosphatedAMPME41511512599C00360--
Deoxyadenosine triphosphatedATPME41511615993C00131--
Deoxycholic acidDeoxycholic acidME415117222528C04483--
Deoxycytidine diphosphatedCDPME415118150855C00705--
Deoxycytidine monophosphatedCMPME41511913945C00239--
Deoxycytidine triphosphatedCTPME41512065091C00458--
DeoxyguanosineDeoxyguanosineME415121187790C00330--
Deoxyguanosine diphosphatedGDPME415122439220C00361--
Deoxyguanosine triphosphatedGTPME41512365103C00286--
Deoxyinosine monophosphatedIMPME41512491531C06196--
Deoxyribose phosphateDeoxyribose 5-phosphateME41512545934311C00673--
Deoxythymidine diphosphatedTDPME415126----
DeoxyuridineDeoxyuridineME41512713712C00526--
Deoxyuridine monophosphatedUMPME41512865063C00365--
Deoxyuridine triphosphatedUTPME41512965070C00460--
DesmosterolDesmosterolME415130439577C01802--
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME4151313418C00118--
DHC(18:1/16:0)Hex2Cer 18:1;O2/16:0ME415132----
DHC(18:1/20:0)Hex2Cer 18:1;O2/20:0ME415133----
DHC(18:1/22:0)Hex2Cer 18:1;O2/22:0ME415134----
DHC(18:1/24:0)Hex2Cer 18:1;O2/24:0ME415135----
DHC(18:1/24:1)Hex2Cer 18:1;O2/24:1ME415136----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME415137668C00111--
DimethylglycineDimethylglycineME415138673C01026--
Dimethyl-L-arginineDimethylarginineME415139123831C03626--
DL-2-Aminooctanoic acid2-Aminocaprylic acidME41514069522---
DL-O-PhosphoserineDL-O-PhosphoserineME415141106C01005--
Docosahexaenoic acidDocosahexaenoic acidME415142445580C06429--
DodecanoylcarnitineCAR 12:0ME415143168381---
DodecenoylcarnitineCAR 12:1ME415144----
DopamineDopamineME415145681C03758--
dTDP-D-glucosedTDP-glucoseME415146443210C00842--
Eicosapentaenoic acidEicosapentaenoic acidME415147446284C06428--
EpinephrineEpinephrineME4151485816C00788--
ErgothioneineErgothioneineME4151495351619C05570--
Erythrose 4-phosphateErythrose 4-phosphateME415150122357C00279--
Estradiolbeta-EstradiolME4151515757C00951--
EstriolEstriolME4151525756C05141--
EstroneEstroneME4151535870C00468--
EthanolamineEthanolamineME415154700C00189--
FADFADME415155643975C00016--
Farnesyl diphosphateFarnesyl diphosphateME415156445713C00448--
FMNFMNME415157643976C00061--
Folic acidFolic acidME4151586037C00504--
Fumaric acidFumaric acidME415159444972C00122--
Gamma-Aminobutyric acidgamma-Aminobutyric acidME415160223130C00334--
Gamma-glutamyl-Alaninegamma-GlutamylalanineME415161----
Gamma-glutamyl-Cysteinegamma-GlutamylcysteineME415162----
Gamma-glutamyl-Isoleucinegamma-GlutamylisoleucineME415163----
Gamma-glutamyl-Leucinegamma-GlutamylleucineME4151644524287---
Geranyl-PPGeranyl diphosphateME4151655280528C05847--
Glucaric acidGlucaric acidME41516633037C00818--
Gluconic acidGluconic acidME41516710690C00257--
GluconolactoneGluconolactoneME4151687027C00198--
GlucosamineGlucosamineME415169439213C00329--
Glucosamine 6-phosphateGlucosamine 6-phosphateME415170439217C00352--
GlucoseGlucoseME4151955793C00221--
GlutamineGlutamineME4151715961C00064--
GlutathioneGlutathioneME415172745C00051--
Glyceric acidGlyceric acidME415173439194C00258--
GlycerolGlycerolME415174753C00116--
Glycerol 3-phosphatesn-Glycero-3-phosphateME415175439162C00093--
Glycerophosphocholinesn-Glycero-3-phosphocholineME41517671920C00670--
GlycineGlycineME415177750C00037--
Glycocholic acidGlycocholic acidME41517823617285C01921--
Glycolic acidGlycolic acidME415179757C03547--
GlycylLeucineGly-LeuME41518092843C02155--
GlycylprolineGly-ProME41518179101---
Glyoxylic acidGlyoxylic acidME415182760C00048--
Guanidinoacetic acidGuanidoacetic acidME415183763C00581--
GuanineGuanineME415184764C00242--
GuanosineGuanosineME4151856802C00387--
Guanosine diphosphateGDPME4151868977C00035--
Guanosine monophosphateGMPME4151876804C00144--
Guanosine triphosphateGTPME4151886830C00044--
Hexacosanoic acidCerotic acidME41518910469---
HexanoylcarnitineCAR 6:0ME4151906426853---
Hexose Diphosphate Pool-ME415191----
Hexose Disaccharide Monophosphate Pool-ME415192----
Hexose Disaccharide Pool-ME415193----
Hexose Monophosphate Pool-ME415194----
Hippuric acidHippuric acidME415196464C01586--
HistamineHistamineME415197774C00388--
HomoarginineHomoarginineME4151989085C01924--
HomocitrullineHomocitrullineME41519965072C02427--
HomocysteineHomocysteineME41520091552---
HomocystineHomocystineME41520110010C01817--
Homogentisic acidHomogentisic acidME415202780C00544--
Homovanillic acidHomovanillic acidME4152031738C05582--
Hydroxycholesterol species-ME415204----
Hydroxyisocaproic acidHydroxyisocaproic acidME41520583697---
HydroxykynurenineHydroxykynurenineME41520689C02794--
HydroxyprolineHydroxyprolineME415207440015C01015--
HypotaurineHypotaurineME415208107812C00519--
HypoxanthineHypoxanthineME415209790C00262--
Imidazoleacetic acidImidazoleacetic acidME41521096215C02835--
IndoleIndoleME415211798C00463--
Indole-3-carboxylic acidIndole-3-carboxylic acidME41521269867C19837--
Indoleacrylic acidIndoleacrylic acidME4152135375048---
Indoxyl sulfateIndoxyl sulfateME41521410258---
InosineInosineME4152156021C00294--
Inosine diphosphateIDPME415216644173C00104--
Inosine monophosphateIMPME4152178582C00130--
Inosine triphosphateITPME4152188583C00081--
Isopentenyl pyrophosphateIsopentenyl-diphosphateME4152191195C00129--
IsovalerylcarnitineCAR 4:0;3MeME4152206426851---
IsovalerylglycineIsovalerylglycineME415221546304---
Itaconic acidItaconic acidME415222811C00490--
KetoleucineKetoleucineME41522370C00233--
Kynurenic acidKynurenic acidME4152243845C01717--
L-AcetylcarnitineCAR 2:0ME4152257045767C02571--
LanosterinLanosterolME415226246983C01724--
L-AsparagineAsparagineME4152276267C00152--
L-Aspartic acidAspartic acidME4152285960C00049--
LathosterolLathosterolME41522965728C01189--
L-CarnitineCarnitineME41523010917C00318--
L-CystathionineCystathionineME415231439258C02291--
L-CystineCystineME41523267678C00491--
L-Glutamic acidGlutamic acidME41523333032C00025--
L-GlutarylcarnitineCAR DC5:0ME415234----
L-HistidineHistidineME4152356274C00135--
L-HistidinolL-HistidinolME415236165271C00860--
L-HomoserineHomoserineME41523712647C00263--
Linoleic acidLinoleic acidME4152385280450C01595--
LinoleylcarnitineCAR 18:2ME415239----
Lipoic acidLipoic acidME4152406112C16241--
L-isoleucineIsoleucineME4152416306C00407--
L-KynurenineKynurenineME415242161166C00328--
L-Lactic acidLactic acidME415243107689C00186--
L-leucineLeucineME4152446106C00123--
L-MethionineMethionineME4152456137C00073--
L-PalmitoylcarnitineCAR 16:0ME41524611953816C02990--
L-PhenylalaninePhenylalanineME4152476140C00079--
L-ProlineProlineME415248145742C00148--
L-SerineSerineME4152495951C00065--
LTB4LTB4ME4152505283128C02165--
L-ThreonineThreonineME4152516288C00188--
L-TryptophanTryptophanME4152526305C00078--
L-TyrosineTyrosineME4152536057C00082--
LuteinLuteinME4152546433159C08601--
L-ValineValineME4152556287C00183--
LXA4Lipoxin A4ME4152569841438C06314--
LysineLysineME4152575962C00047--
LysoPC(16:0)LPC 16:0ME415258460602C04230--
LysoPC(18:0)LPC 18:0ME415259497299C04230--
LysoPC(22:0)LPC 22:0ME41526024779479C04230--
LysoPC(24:1)LPC 24:1ME41526153480477C04230--
Malic acidMalic acidME415262525C03668--
MalondialdehydeMalondialdehydeME41526310964C19440--
Malonic acidMalonic acidME415264867C04025--
MalonylcarnitineCAR DC3:0ME41526522833583---
MelatoninMelatoninME415266896C01598--
MetanephrineL-MetanephrineME41526721100C05588--
Methionine sulfoxideMethionine sulfoxideME415268158980C02989--
MethylcobalaminMethylcobalaminME415269-C06453--
MethylcysteineMethylcysteineME41527024417C22040--
MethylguanidineMethylguanidineME41527110111C02294--
Methylmalonic acidMethylmalonic acidME415272487C02170--
Methylsuccinic AcidMethylsuccinic acidME41527310349C08645--
Mevalonic acidMevalonic acidME415274449C00418--
MHC(18:1/16:0)HexCer 18:1;O2/16:0ME415275----
MHC(18:1/20:0)HexCer 18:1;O2/20:0ME415276----
MHC(18:1/22:0)HexCer 18:1;O2/22:0ME415277----
MHC(18:1/24:0)HexCer 18:1;O2/24:0ME415278----
MHC(18:1/24:1)HexCer 18:1;O2/24:1ME415279----
MHC(18:2/16:0)HexCer 18:2;O2/16:0ME415280----
MHPG-sulfate-ME4152813035420---
MyoinositolMyo-inositolME415282-C00137--
MyristoylcarnitineCAR 14:0ME41528353477791---
N5-Formyl-THFN5-Formyl-THFME415284143C03479--
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME415285188803C12270--
N-Acetyl-glucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME4152867115C04256--
N-Acetylglutamic acidN-Acetylglutamic acidME41528770914C00624--
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME41528865065C01042--
N-AcetylornithineN-AcetylornithineME415289439232C00437--
N-acetylputrescineN-AcetylputrescineME415290122356C02714--
N-acetylserineN-AcetylserineME41529165249---
NAD+NAD+ME4152925893---
NADHNADHME4152935893C00003--
NADP+NADP+ME4152945886C00006--
NADPHNADPHME4152955886C00006--
N-alpha-AcetylargininePelargonidinME41529667427---
NeopterinNeopterinME4152974455C05926--
NiacinamideNiacinamideME415298936C00153--
Nicotinamide N-oxideNicotinamide N-oxideME41529972661---
Nicotinamide ribosideNicotinamide ribosideME415300439924C03150--
Nicotinic acidNicotinic acidME415301938C00253--
N-methylphenethylamineN-MethylphenethylamineME415302----
N-oleoylethanolamineOleoyl-EAME4153035283454---
NormetanephrineNormetanephrineME4153041237C05589--
O-acetylserineO-AcetylserineME41530599478C00979--
OctadecanoylcarnitineCAR 18:0ME41530652922056---
OctanoylcarnitineCAR 8:0ME41530711953814C02838--
Octulose-monophosphate-ME415308----
Oleic acidOleic acidME415309445639C00712--
OleoylcarnitineCAR 18:1ME41531046907933---
O-PhosphoethanolaminePhosphoethanolamineME4153111015C00346--
O-PhosphotyrosineO-PhosphotyrosineME41531230819C06501--
OrnithineOrnithineME4153136262C00077--
Orotic acidOrotic acidME415314967C00295--
Orotidine monophosphateOrotidylic acidME415315160617C01103--
Oxalic acidOxalic acidME415316971C00209--
Oxaloacetic acidOxaloacetic acidME415317970C00036--
Oxidized glutathioneOxidized glutathioneME41531865359C00127--
Oxoglutaric acid2-Oxoglutaric acidME41531951C00026--
PA(16:0/16:0)PA 16:0/16:0ME415320446066C00416--
PA(16:0/16:1)PA 16:0/16:1ME41532152929501---
PA(16:1/16:1)PA 16:1/16:1ME415322----
PA(16:1/18:1)PA 16:1/18:1ME41532352929493---
PA(18:0/16:1)PA 18:0/16:1ME41532452929479---
PA(18:0/18:1)PA 18:0/18:1ME41532524779560---
PA(18:1/18:1)PA 18:1/18:1ME4153265873088---
PalmitoylcholinePalmitoylcholineME415327151731---
PalmitoylethanolamidePalmitoyl-EAME4153284671C16512--
p-Aminobenzoic acidp-Aminobenzoic acidME415329978C00568--
p-Aminohippuric acid4-Aminohippuric acidME4153302148D06890--
Pantothenic acidPantothenic acidME4153316613C00864--
PC(16:0/16:0)PC 16:0/16:0ME415332452110C00157--
PC(16:0/18:1)PC 16:0/18:1ME41533324778688C00157--
PC(16:0/18:2)PC 16:0/18:2ME4153345287971C00157--
PC(16:0/20:4)PC 16:0/20:4ME41533510747814C00157--
PC(16:0/22:6)PC 16:0/22:6ME4153366441886C00157--
PC(18:0/18:2)PC 18:0/18:2ME4153376441487C00157--
PC(18:0/20:3)PC 18:0/20:3ME41533824778855C00157--
PC(18:1/22:6)PC 18:1/22:6ME41533924778901C00157--
PC(20:4/P-16:0)PC P-16:0/20:4 or PC O-16:1/20:4ME41534053479049C00157--
PC(20:5/P-16:0)PC P-16:0/20:5 or PC O-16:1/20:5ME41534153479139C00157--
PC(22:6/P-18:0)PC P-18:0/22:6 or PC O-18:1/22:6ME41534253479425C00157--
PC(24:0/P-18:0)PC P-18:0/24:0 or PC O-18:1/24:0ME41534353479481C00157--
PC(30:0)PC 30:0ME415344129657C00157--
PC(32:1)PC 32:1ME41534524778618C00157--
PC(32:2)PC 32:2ME41534624778624C00157--
PC(36:0)PC 36:0ME41534724778638C00157--
PC(36:1)PC 36:1ME41534853478609C00157--
PC(38:5)PC 38:5ME41534924778735C00157--
PC(40:6)PC 40:6ME41535024778876C00157--
p-CresolP-CresolME4153512879C01468--
PE (18:0/18:0)PE 18:0/18:0ME415352----
PE(20:4/18:1)PE 20:4/18:1ME41535353479787C00350--
PE(30:1)PE 30:1ME41535452924945C00350--
PE(32:1)PE 32:1ME41535553479551C00350--
PE(32:2)PE 32:2ME41535652924943C00350--
PE(34:1)PE 34:1ME41535752924120C00350--
PE(34:2)PE 34:2ME41535852924121C00350--
PE(36:1)PE 36:1ME41535953479554C00350--
PE(36:2)PE 36:2ME41536052924125C00350--
PE(36:3)PE 36:3ME41536152924154C00350--
PE(36:4)PE 36:4ME41536252924126C00350--
PG(16:0/16:0)PG 16:0/16:0ME415363446440---
PG(32:1)PG 32:1ME41536452926472---
PG(32:2)PG 32:2ME41536552927230---
PG(34:1)PG 34:1ME41536652927225---
PG(34:2)PG 34:2ME41536752927142---
PG(36:1)PG 36:1ME41536852927224---
PG(36:2)PG 36:2ME41536952927141---
PG(36:3)PG 36:3ME41537052926672---
PG(38:4)PG 38:4ME41537152926895---
PG(44:12)PG 44:12ME41537252927240---
PGF2alphaPGF2alphaME4153735280886C05959--
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME41537492258C04148--
Phenyllactic acidPhenyllactic acidME4153753848C01479--
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME4153761005C00074--
PhosphorylcholineCholine phosphateME4153771014C00588--
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME415378127C00642--
PhytosphingosinePhytosphingosineME415379122121C12144--
PI(16:0/16:0)PI 16:0/16:0ME41538024779556C00626--
PI(30:1)PI 30:1ME415381----
PI(32:2)PI 32:2ME415382-C00626--
PI(34:0)PI 34:0ME41538352928311C00626--
PI(34:1)PI 34:1ME41538452928386C00626--
PI(34:2)PI 34:2ME41538552928300---
PI(36:0)PI 36:0ME41538652928286---
PI(36:1)PI 36:1ME415387----
PI(36:2)PI 36:2ME41538852927985C00626--
PI(36:4)PI 36:4ME415389-C00626--
PI(38:3)PI 38:3ME415390-C00626--
PI(38:4)PI 38:4ME41539152928215---
PI(38:5)PI 38:5ME415392-C00626--
PI(40:5)PI 40:5ME415393-C00626--
PimelylcarnitineCAR DC7:0ME41539453481699---
Pipecolic acidPipecolic acidME415395849C00408--
Plasmalogen(20:4/p18:0)-ME415396----
Plasmalogen(22:6/p16:0)-ME415397----
Plasmalogen(p16:0/20:4)-ME415398----
Plasmalogen(p18:0/22:6)-ME415399----
Pregnenolone sulfatePregnenolone sulfateME41540020845972---
Propionic acidPropionic acidME4154011032C00163--
PropionylcarnitineCAR 3:0ME415402107738C03017--
Prostaglandin D2PGD2ME415403448457C00696--
Prostaglandin E2PGE2ME4154045283116C00584--
Prostaglandin J2PGJ2ME4154055280884C05957--
Protoporphyrin IXProtoporphyrinME415406-C02191--
PS(18:0/18:1)PS 18:0/18:1ME41540759720717C02737--
PS(18:0/20:4)PS 18:0/20:4ME41540853480354C02737--
PS(32:0)PS 32:0ME41540952926086---
PS(32:2)PS 32:2ME415410131819741---
PS(34:1)PS 34:1ME41541152925640---
PS(34:2)PS 34:2ME41541252925670---
PS(36:0)PS 36:0ME41541352925958---
PS(36:2)PS 36:2ME41541452925868---
PseudouridinePseudouridineME41541515047C02067--
PurinePurineME4154161044C15587--
PyridoxalPyridoxalME4154171050C00250--
Pyridoxal 5-phosphatePyridoxal 5'-phosphateME4154181051C00018--
PyridoxaminePyridoxamineME4154191052C00534--
PyridoxinePyridoxineME4154201054C00314--
Pyroglutamic acidPyroglutamic acidME4154217405C01879--
PyrophosphatePyrophosphateME4154221023C00013--
Pyruvic acidPyruvic acidME4154231060C00022--
Quinolinic AcidQuinolinic acidME4154241066C03722--
Resolvin D1Resolvin D1ME41542544251266---
RetinolRetinolME4154269904001C19962--
Reverse T3-ME415427----
RiboflavinRiboflavinME415428493570C00255--
Ribose 5-phosphateRibose 5-phosphateME415429440101C03736--
SaccharopineSaccharopineME415430160556C00449--
S-AdenosylhomocysteineS-AdenosylhomocysteineME415431439155C00021--
S-AdenosylmethionineS-AdenosylmethionineME41543234756C00019--
Salicyluric acidSalicyluric acidME41543310253C07588--
SarcosineSarcosineME4154341088C00213--
Sebacic acidSebacic acidME4154355192C08277--
Sedoheptulose monophosphateSedoheptulose 7-phosphateME415436----
SelenomethionineSelenomethionineME415437105024C05335--
SerotoninSerotoninME4154385202C00780--
Shikimate-3-phosphate3-Phosphoshikimic acidME415439-C03175--
Shikimic acidShikimic acidME4154408742C00493--
SpermidineSpermidineME4154411102C00315--
SpermineSpermineME4154421103C00750--
Sphinganine(d18:0)SphinganineME415443----
Sphingosine 1-phosphateSphingosine 1-phosphateME4154445353956C06124--
Sphingosine(d18:1)SphingosineME415445----
Suberic AcidSuberic acidME41544610457C08278--
SuberylcarnitineCAR DC8:0ME415447----
Succinic acidSuccinic acidME4154481110C00042--
T1AM3-IodothyronamineME4154499950514---
TaurineTaurineME4154501123C00245--
Taurocholic acidTaurocholic acidME4154516675C05122--
Taurodeoxycholic acid PoolTaurodeoxycholic acidME4154522733768C05463--
TestosteroneTestosteroneME4154536013C00535--
TetrahydrobiopterinSapropterinME41545444257C00272--
Tetranor-PGEMTetranor-PGEMME415455161468---
Tetranor-PGFMTetranor-PGFMME4154563246853---
THC 18:1/16:0Hex3Cer 18:1;O2/16:0ME415457----
THC 18:1/18:0Hex3Cer 18:1;O2/18:0ME415458----
THC 18:1/20:0Hex3Cer 18:1;O2/20:0ME415459----
THC 18:1/22:0Hex3Cer 18:1;O2/22:0ME415460----
THC 18:1/24:0Hex3Cer 18:1;O2/24:0ME415461----
THC 18:1/24:1Hex3Cer 18:1;O2/24:1ME415462----
ThiamineThiamineME4154631130C00378--
Thiamine monophosphateThiamine monophosphateME4154643382778C01081--
Thiamine pyrophosphateThiamine diphosphateME4154651132C00068--
Thromboxane B2TXB2ME4154665283137C05963--
ThymidineThymidineME4154675789C00214--
Thymidine 5-triphosphateTMPME41546864968C00459--
ThymineThymineME4154691135C00178--
ThyroxineThyroxineME4154705819C01829--
TiglylcarnitineCAR 4:1;2MeME41547191825636---
TiglylglycineTiglylglycineME4154726441567---
Trimethylamine-N-oxideTrimethylamine N-oxideME4154731145C01104--
TryptopholTryptophanolME41547410685C00955--
TyramineTyramineME4154755610C00483--
UracilUracilME4154761174C00106--
UreaUreaME4154771176C00086--
Ureidopropionic acidUreidopropionic acidME415478111C02642--
Ureidosuccinic acidN-Carbamoylaspartic acidME41547993072C00438--
Uric acidUric acidME4154801175C00366--
UridineUridineME4154816029C00299--
Uridine 5-diphosphateUDPME4154826031C00015--
Uridine 5-monophosphateUMPME4154836030C00105--
Uridine diphosphate glucoseUDP-glucoseME4154848629C00029--
Uridine diphosphate glucuronic acidUDP-glucuronic acidME41548517473C00167--
Uridine diphosphate-n-acetyl-D-glucosamineUDP-N-acetylglucosamineME415486----
Uridine triphosphateUTPME4154876133C00075--
Vitamin D3Vitamin D3ME4154885280795C05443--
Vitamin K2Vitamin K2ME4154895283547C00828--
VMAVanillylmandelic acidME415490736172C05584--
XanthineXanthineME4154911188C00385--
XanthosineXanthosineME41549264959C01762--
Xanthosine monophosphateXMPME41549373323C00655--
ZeaxanthinZeaxanthinME4154945280899C06098--


Analysis: Reversed phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
DeoxyCer(m18:1/16:0)Cer 18:0;O/26:1*ME415495----
DeoxyCer(m18:1/18:0)Cer 18:0;O/26:0*ME415496----
DeoxyCer(m18:1/20:0)Cer 18:0;O/24:1ME415497----
DeoxyCer(m18:1/22:0)Cer 18:0;O/24:0ME415498----
DeoxyCer(m18:1/24:0)Cer 18:0;O/22:0ME415499----
DeoxyCer(m18:1/24:1)Cer 18:0;O/20:0ME415500----
DeoxyCer(m18:1/26:0)Cer 18:0;O/18:0ME415501----
DeoxyCer(m18:1/26:1)Cer 18:0;O/16:0ME415502----
DeoxydihydroCer(m18:0/16:0)Cer 18:1;O/26:1*ME415503----
DeoxydihydroCer(m18:0/18:0)Cer 18:1;O/26:0*ME415504----
DeoxydihydroCer(m18:0/20:0)Cer 18:1;O/24:1ME415505----
DeoxydihydroCer(m18:0/22:0)Cer 18:1;O/24:0ME415506----
DeoxydihydroCer(m18:0/24:0)Cer 18:1;O/22:0ME415507----
DeoxydihydroCer(m18:0/24:1)Cer 18:1;O/20:0ME415508----
DeoxydihydroCer(m18:0/26:0)Cer 18:1;O/18:0ME415509----
DeoxydihydroCer(m18:0/26:1)Cer 18:1;O/16:0ME415510----
GD2(d18:1/16:0)GD2 18:1;O2/16:0ME41551144262068---
GD2(d18:1/18:0)GD2 18:1;O2/18:0ME41551244262069---
GD2(d18:1/18:1)GD2 18:1;O2/18:1*ME415513----
GD2(d18:1/19:0)GD2 18:1;O2/19:0*ME415514----
GD2(d18:1/20:0)GD2 18:1;O2/20:0ME41551544262070---
GD2(d18:1/21:0)GD2 18:1;O2/21:0*ME415516----
GD2(d18:1/22:0)GD2 18:1;O2/22:0ME41551744262071---
GD3(d18:1/14:0)GD3 18:1;O2/14:0*ME415518----
GD3(d18:1/15:0)GD3 18:1;O2/15:0*ME415519----
GD3(d18:1/16:0)GD3 18:1;O2/16:0ME41552044262044---
GD3(d18:1/16:1)GD3 18:1;O2/16:1*ME415521----
GD3(d18:1/17:0)GD3 18:1;O2/17:0*ME415522----
GD3(d18:1/18:0)GD3 18:1;O2/18:0ME41552344262045---
GD3(d18:1/18:1)GD3 18:1;O2/18:1*ME415524----
GD3(d18:1/19:0)GD3 18:1;O2/19:0*ME415525----
GD3(d18:1/20:0)GD3 18:1;O2/20:0ME41552644262046---
GD3(d18:1/21:0)GD3 18:1;O2/21:0*ME415527----
GD3(d18:1/22:0)GD3 18:1;O2/22:0ME41552844262047---
GD3(d18:1/23:0)GD3 18:1;O2/23:0*ME415529----
GD3(d18:1/24:0)GD3 18:1;O2/24:0ME41553044262048---
GD3(d18:1/25:0)GD3 18:1;O2/25:0*ME415531----
GM2(d18:1/16:0)GM2 18:1;O2/16:0ME41553244262060---
GM2(d18:1/16:1)GM2 18:1;O2/16:1*ME415533----
GM2(d18:1/18:1)GM2 18:1;O2/18:1*ME415534----
GM2(d18:1/20:0)GM2 18:1;O2/20:0ME41553544262062---
GM3(d18:1/16:0)GM3 18:1;O2/16:0ME41553644262036---
GM3(d18:1/16:1)GM3 18:1;O2/16:1*ME415537----
GM3(d18:1/18:0)GM3 18:1;O2/18:0ME41553844262037---
GM3(d18:1/18:1)GM3 18:1;O2/18:1*ME415539----
GM3(d18:1/20:0)GM3 18:1;O2/20:0ME41554044262038---
GM3(d18:1/22:0)GM3 18:1;O2/22:0ME41554144262039---
GM3(d18:1/24:0)GM3 18:1;O2/24:0ME41554244262040---
GM3(d18:1/24:1)GM3 18:1;O2/24:1ME41554344262042---
SM(d18:1/12:0)SM 18:1;O2/12:0ME41554444260123C00550--
SM(d18:1/16:0)SM 18:1;O2/16:0ME4155465283590C00550--
SM(d18:1/16:0 OH)SM 18:1;O2/16:0;OME415545----
SM(d18:1/16:1)SM 18:1;O2/16:1ME41554852931145---
SM(d18:1/16:1 OH)SM 18:1;O2/16:1;OME415547----
SM(d18:1/16:2)SM 18:1;O2/16:2ME415550----
SM(d18:1/16:2 OH)SM 18:1;O2/16:2;OME415549----
SM(d18:1/18:0)SM 18:1;O2/18:0ME4155525283588C00550--
SM(d18:1/18:0 OH)SM 18:1;O2/18:0;OME415551----
SM(d18:1/18:1)SM 18:1;O2/18:1ME41555453481366C00550--
SM(d18:1/18:1 OH)SM 18:1;O2/18:1;OME415553----
SM(d18:1/18:2)SM 18:1;O2/18:2ME415556----
SM(d18:1/18:2 OH)SM 18:1;O2/18:2;OME415555----
SM(d18:1/20:0)SM 18:1;O2/20:0ME41555844260124C00550--
SM(d18:1/20:0 OH)SM 18:1;O2/20:0;OME415557----
SM(d18:1/20:1)SM 18:1;O2/20:1ME41556052931179---
SM(d18:1/20:1 OH)SM 18:1;O2/20:1;OME415559----
SM(d18:1/20:2)SM 18:1;O2/20:2ME415562----
SM(d18:1/20:2 OH)SM 18:1;O2/20:2;OME415561----
SM(d18:1/22:0)SM 18:1;O2/22:0ME41556444260125C00550--
SM(d18:1/22:0 OH)SM 18:1;O2/22:0;OME415563----
SM(d18:1/22:1)SM 18:1;O2/22:1ME415565----
SM(d18:1/22:2)SM 18:1;O2/22:2ME415567----
SM(d18:1/22:2 OH)SM 18:1;O2/22:2;OME415566----
SM(d18:1/23:0) or SM(d18:1/22:1 OH)SM 18:1;O2/22:1;OME415568----
SM(d18:1/24:0)SM 18:1;O2/24:0ME4155705283595---
SM(d18:1/24:0 OH)SM 18:1;O2/24:0;OME415569----
SM(d18:1/24:1)SM 18:1;O2/24:1ME41557144260126C00550--
SM(d18:1/24:2)SM 18:1;O2/24:2ME415573----
SM(d18:1/24:2 OH)SM 18:1;O2/24:2;OME415572----
SM(d18:1/25:0) or SM(d18:1/24:1 OH)-ME415574----
SM(d18:1/26:0)SM 18:1;O2/26:0ME4155765283597C00550--
SM(d18:1/26:0 OH)SM 18:1;O2/26:0;OME415575----
SM(d18:1/26:1)SM 18:1;O2/26:1ME41557844260128C00550--
SM(d18:1/26:1 OH)SM 18:1;O2/26:1;OME415577----
SM(d18:1/26:2)SM 18:1;O2/26:2ME415580----
SM(d18:1/26:2 OH)1alpha,25-Dihydroxyvitamin D3ME415579----


  logo