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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
12-HETE12-HETEME2302855312983---
14,15-Epoxy-5,8,11-eicosatrienoic acid14,15-EpETrEME2302895283205C14771--
1-Pyrroline-5-carboxylic acid1-Pyrroline-5-carboxylic acidME2303531196C04322--
20-HETE20-HETEME2302865283157C14748--
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME230316186004C01159--
2-Pyrocatechuic acid2-Pyrocatechuic acidME23028819C00196--
4-Pyridoxic acid4-Pyridoxic acidME2302996723C00847--
5-HETE5-HETEME2302875280733C04805--
Adipic acidAdipic acidME230246196C06104--
Allantoic acidAllantoic acidME230320203C00499--
AllantoinAllantoinME230313204C01551--
AnandamideArachidonoyl-EAME2303485281969C11695--
Arachidonic acidArachidonic acidME230280444899C00219--
ArginineArginineME2302436322C00062--
Ascorbic acidVitamin CME23033854670067C00072--
Azelaic acidAzelaic acidME2303362266C08261--
Benzoic acidBenzoic acidME230345243C00180--
Camp3',5' cyclic AMPME2303126076C00575--
Chenodeoxycholic acidChenodeoxycholic acidME23030110133C02528--
cis-aconitic acidcis-Aconitic acidME230344643757C00417--
Citric acidCitric acidME230346311C00158--
CitrullineCitrullineME2303179750C00327--
CL(18:2/18:2/16:1/16:1)CL 18:2/18:2/16:1/16:1ME230267----
CL(18:2/18:2/18:1/18:1)CL 18:2/18:2/18:1/18:1ME23025553480370---
CL(18:2/18:2/18:2/16:1)CL 18:2/18:2/18:2/16:1ME230254----
CL(18:2/18:2/18:2/18:1)CL 18:2/18:2/18:2/18:1ME230248----
CL(18:2/18:2/18:2/18:2)CL 18:2/18:2/18:2/18:2ME2302525283539---
CoACoenzyme AME2303426816C00010--
CortisoneCortisoneME230253222786C00762--
CreatinineCreatinineME230350588C00791--
Deoxycholic acidDeoxycholic acidME230302222528C04483--
Dimethyl-L-arginineDimethylarginineME230349123831C03626--
Docosahexaenoic acidDocosahexaenoic acidME230245445580C06429--
Eicosapentaenoic acidEicosapentaenoic acidME230279446284C06428--
Fructose 6-phosphateFructose 6-phosphateME23033469507C00085--
Gamma-glutamyl-Alaninegamma-GlutamylalanineME230324----
GlucoseGlucoseME2303145793C00031--
GlutathioneGlutathioneME230330124886C00051--
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME2303403418C00118--
GlycerolGlycerolME230290753C00116--
Glycerol 3-phosphatesn-Glycero-3-phosphateME230332439162C00093--
Glycocholic acidGlycocholic acidME23030423617285C01921--
GuanosineGuanosineME2303266802C00387--
Hippuric acidHippuric acidME230247464C01586--
Homovanillic acidHomovanillic acidME2303111738C05582--
Hydroxyisocaproic acid2-Hydroxyisocaproic acidME23030083697---
Hydroxyprolinecis-3-HydroxyprolineME2303525810C01157--
HypoxanthineHypoxanthineME230318790C00262--
Indoxyl sulfateIndoxyl sulfateME23024110258---
InosineInosineME2303226021C00294--
IsovalerylglycineIsovalerylglycineME230237546304---
Kynurenic acidKynurenic acidME2303093845C01717--
L-Aspartic acidAspartic acidME2303255960C00049--
L-CystineCystineME23032967678C00491--
Linoleic acidLinoleic acidME2302845280450C01595--
L-Lactic acidLactic acidME230307107689C00186--
L-ProlineProlineME230351145742C00148--
L-ThreonineThreonineME2303156288C00188--
Malic acidMalic acidME230335222656C00149--
Methylsuccinic acidMethylsuccinic acidME23023810349C08645--
MyoinositolMyo-inositolME230321-C00137--
N-acetyl-L-aspartic acidN-Acetylaspartic acidME23033165065C01042--
NADNAD+ME2303235893C00003--
NADPNADP+ME2303435886C00006--
Nicotinic acidNicotinic acidME230305938C00253--
Oleic acidOleic acidME230283445639C00712--
Orotic acidOrotic acidME230327967C00295--
Oxaloacetic acidOxaloacetic acidME230337970C00036--
PA(16:0/16:0)PA 16:0/16:0ME230250446066C00416--
PA(16:0/16:1)PA 16:0_16:1ME230261----
PA(16:1/18:1)PA 16:1_18:1ME230257----
PA(18:1/18:1)PA 18:1/18:1ME23024914057128C00416--
p-Aminobenzoic acidP-Aminobenzoic acidME230306978C00568--
Pantothenic acidPantothenic acidME230308988C00864--
PE(20:4/18:1)PE 18:1_20:4ME23027652924645C00350--
PE(20:4/p18:0)PE P-18:1/20:4 or PE O-18:2/20:4ME230273----
PE(22:6/p16:0)PE P-16:0/22:6 or PE O-16:1/22:6ME230274----
PE(34:2)PE 34:2ME2302719546747C00350--
PE(36:2)PE 36:2ME2302729546749C00350--
PE(36:4)PE 36:4ME2302759546800C00350--
PE(p16:0/20:4)PE P-16:0/20:4 or PE O-16:1/20:4ME230277----
PE(p18:0/22:6)PE P-18:0/22:6 or PE O-18:1/22:6ME230278----
PGF2alphaPGF2alphaME230281----
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME23024092258C04148--
PI(16:0/16:0)PI 16:0/16:0ME230294-C00626--
PI(36:1)PI 36:1ME230295----
PI(36:4)PI 36:4ME230293----
PI(38:5)PI 38:5ME230292----
PI(40:5)PI 40:5ME230291----
PS(18:0/18:1)PS 18:0_18:1ME23029759720717C02737--
PseudouridinePseudouridineME23034715047C02067--
Pyroglutamic acidPyroglutamic acidME2302427405C01879--
PyrophosphatePyrophosphateME230339644102C00013--
Quinolinic acidQuinolinic acidME2303411066C03722--
S-AdenosylhomocysteineS-AdenosylhomocysteineME230319439155C00021--
SM(d18:1/16:0)SM 18:1;O2/16:0ME2302645283590C00550--
SM(d18:1/16:1)SM 18:1;O2/16:1ME230268----
SM(d18:1/16:1 OH)SM 18:1;O2/16:1;OME230260----
SM(d18:1/16:2 OH)SM 18:1;O2/16:2;OME230258----
SM(d18:1/18:0)SM 18:1;O2/18:0ME2302655283588C00550--
SM(d18:1/18:0 OH)SM 18:1;O2/18:0;OME230269----
SM(d18:1/18:1)SM 18:1;O2/18:1ME230262----
SM(d18:1/18:1 OH)SM 18:1;O2/18:1;OME230266----
SM(d18:1/18:2 OH)SM 18:1;O2/18:2;OME230259----
SM(d18:1/20:0)SM 18:1;O2/20:0ME23028244260124C00550--
SM(d18:1/20:0 OH)SM 18:1;O2/20:0;OME230251----
SM(d18:1/20:1 OH)SM 18:1;O2/20:1;OME230263----
SM(d18:1/20:2 OH)SM 18:1;O2/20:2;OME230256----
SM(d18:1/22:1)SM 18:1;O2/22:1ME230270----
Suberic acidSuberic acidME23023910457C08278--
Succinic acidSuccinic acidME2303331110C00042--
TaurineTaurineME2303101123C00245--
Taurodeoxycholic acidTaurodeoxycholic acidME2302982733768C05463--
UracilUracilME2302961174C00106--
Uric acidUric acidME2302441175C00366--
UridineUridineME2303036029C00299--
XanthosineXanthosineME23032864959C01762--


Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-Methyladenine1-MethyladenineME23047278821C02216--
1-Methyladenosine1-MethyladenosineME23041227476C02494--
1-Methylhistidine1-MethylhistidineME23043492105C01152--
2-ArachidonylglycerolMG 20:4ME2303745282280C13856--
3-HydroxydodecanoylcarnitineCAR 12:0;OHME230426----
3-Hydroxyisovaleryl CarnitineCAR 4:0;OH,MeME230413----
5,6-trans-25-Hydroxyvitamin D35,6-trans-25-Hydroxyvitamin D3ME23036153477885---
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME2304661826C05635--
5-Methyltetrahydrofolic acid5-Methyltetrahydrofolic acidME230468439234C00440--
7-ketocholesterol7-Oxo-cholesterolME23036353477696---
8-Hydroxy-deoxyguanosine8-Hydroxy-deoxyguanosineME23046373318---
AcetylcholineAcetylcholineME230427187C01996--
AdenineAdenineME230421190C00147--
AdenosineAdenosineME23041460961C00212--
Adenosine monophosphateAMPME2304676083C00020--
AlanineAlanineME2304405950C00041--
Alpha-Tocopherolalpha-TocopherolME23035814985C02477--
BiotinBiotinME230431171548C00120--
ButyrylcarnitineCAR(4:0)ME230403439829C02862--
CarnosineCarnosineME230456439224C00386--
Cer(d18:1/18:0)Cer 18:1;O2/18:0ME230365----
Cer(d18:1/22:0)Cer 18:1;O2/22:0ME230366----
Cer(d18:1/22:0 OH)Cer 18:1;O2/22:0;OME230364----
Cer(d18:1/23:0)Cer 18:1;O2/23:0ME23037252931115---
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME230367----
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME230368----
Cer(d18:1/24:2)Cer 18:1;O2/24:2ME230369----
Cer(d18:1/25:0)Cer 18:1;O2/25:0ME230370----
CholesterolCholesterolME23036011025495C00187--
CholineCholineME230381305C00114--
CoQ9Coenzyme Q9ME2303555280473C01967--
CoQ9H2Coenzyme Q9ME2303565154674---
CorticosteroneCorticosteroneME2303805753C02140--
CortisolCortisolME230470657311C00735--
CreatineCreatineME230354586C00300--
CysteamineCysteamineME2303976058C01678--
CysteineCysteineME2304485862C00097--
Cysteine-S-sulfateCysteine-S-sulfateME230469115015C05824--
CytidineCytidineME2304206175C00475--
CytosineCytosineME230411597C00380--
Dihexosylcer(18:1/16:0)-ME230401----
Dihexosylcer(18:1/24:1)-ME230402----
DimethylglycineDimethylglycineME230424673C01026--
DodecanoylcarnitineCAR 12:0ME230394168381---
DodecenoylcarnitineCAR 12:1ME230388----
DopamineDopamineME230460681C03758--
EpinephrineEpinephrineME2304655816C00788--
EthanolamineEthanolamineME230418700C00189--
Gamma-Aminobutyric acidgamma-Aminobutyric acidME230444119C00334--
Glucosylceramide(18:1/16:0)-ME230389----
Glycerophosphocholinesn-Glycero-3-phosphocholineME23043371920C00670--
GlycineGlycineME230455750C00037--
HistamineHistamineME230408774C00388--
HistidineHistidineME2304576274C00135--
HomoarginineHomoarginineME2304749085C01924--
HydroxykynurenineHydroxykynurenineME23041789C02794--
HypotaurineHypotaurineME230471107812C00519--
IndoleIndoleME230438798C00463--
IsovalerylcarnitineCAR(4:0(3Me))ME2304006426851---
L-AcetylcarnitineCAR(2:0)ME2304101C02571--
L-AsparagineAsparagineME2304456267C00152--
L-CarnitineCarnitineME2304282724480C15025--
L-Glutamic acidGlutamic acidME23046233032C00025--
L-GlutamineGlutamineME2304465961C00064--
L-GlutarylcarnitineCAR DC5:0ME230442----
L-HistidinolL-HistidinolME230409165271C00860--
LinoleylcarnitineCAR 18:2ME2303966437058---
L-KynurenineKynurenineME230454161166C00328--
L-leucineLeucineME2304236106C00123--
L-MethionineMethionineME2304296137C00073--
L-PalmitoylcarnitineCAR(16:0)ME23039011953816C02990--
L-PhenylalaninePhenylalanineME2304226140C00079--
L-SerineSerineME2304505951C00065--
L-TryptophanTryptophanME2304356305C00078--
L-TyrosineTyrosineME2304516057C00082--
L-ValineValineME2304306287C00183--
LysineLysineME2304585962C00047--
LysoPC(16:0)LPC 16:0ME230393460602C04230--
MalonylcarnitineCAR(DC3:0)ME23041922833583---
MelatoninMelatoninME230382896C01598--
MetanephrineL-MetanephrineME23043221100C05588--
Methionine sulfoxideMethionine sulfoxideME230439847---
MyristoylcarnitineCAR(14:0)ME23039553477791---
N-alpha-AcetylargininePelargonidinME23047367249C05904--
NiacinamideNiacinamideME230383936C00153--
Nicotinamide N-oxideNicotinamide N-oxideME23039972661---
N-oleoylethanolamineOleoyl-EAME2303735283454---
NorepinephrineXi-NorepinephrineME230437439260C00547--
NormetanephrineNormetanephrineME2304161237C05589--
OctadecanoylcarnitineCAR 18:0ME2303926426855---
OleoylcarnitineCAR(18:1)ME23039153477789---
OrnithineOrnithineME2304536262C00077--
Oxidized glutathioneOxidized glutathioneME230464975C00127--
PC(16:0/16:0)PC 16:0/16:0ME230377452110C00157--
PC(16:0/18:1)PC 16:0_18:1ME2303785497103C00157--
PC(16:0/18:2)PC 16:0/18:2ME2303855287971C00157--
PC(16:0/20:4)PC 16:0/20:4ME23038610747814C00157--
PC(16:0/22:6)PC 16:0/22:6ME2303846441886C00157--
PC(18:0/18:2)PC 18:0/18:2ME2303796441487C00157--
PC(20:4/P-16:0)PC P-16:0/20:4 or PC O-16:1/20:4ME230387----
PC(22:6/P-18:0)PC P-18:0/22:6 or PC O-18:1/22:6ME230376----
PhosphorylcholineCholine phosphateME2304521014C00588--
Pipecolic acidPipecolic acidME230447849C00408--
PropionylcarnitineCAR(3:0)ME230406107738C03017--
PurinePurineME2304251044C15587--
RetinalRetinalME230362638015C00376--
RetinolRetinolME230357445354C00473--
RiboflavinRiboflavinME230415493570C00255--
SaccharopineSaccharopineME230459160556C00449--
S-AdenosylmethionineS-AdenosylmethionineME23044916757548C00019--
SarcosineSarcosineME2304411088C00213--
SerotoninSerotoninME2304435202C00780--
SpermidineSpermidineME2304611102C00315--
SuberylcarnitineCAR DC8:0ME230436----
TestosteroneTestosteroneME2303756013C00535--
ThiamineThiamineME2304051130C00378--
Trihexosylcer(18:1/16:0)-ME230407----
Trimethylamine-N-oxideTrimethylamine N-oxideME2304041145C01104--
UreaUreaME2303981176C00086--
Vitamin D3Vitamin D3ME23037110883523C05443--
Vitamin K2Vitamin K2ME2303595283547C00828--


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