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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-Methyladenosine1-MethyladenosineME82972027476C024943.54-
1-Methylguanosine1-MethylguanosineME82973096373C04545--
1-Methylnicotinamide1-Methyl nicotinamideME829670457C029182.62-
3-AcetamidopropanalAcetamidopropanalME8297185460495C181701.17-
3-Aminoisobutyric acid3-Aminoisobutanoic acidME82964164956C051453.9-
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME82967986C006321.46-
3-Hydroxy-L-kynurenineHydroxykynurenineME829701161166C003283.05-
4-Acetamidobutanoate4-Acetamidobutanoic acidME82967218189C029461.55-
4-Trimethylammoniobutanoate3-DehydroxycarnitineME829726725C01181--
5-Aminolevulinate5-Amino-levulinic acidME829663137C004304.41-
5-Aminopentanoic acid5-Aminopentanoic acidME829648138C004314.24-
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME8296931826C056351.21-
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME829700439280C006433.39-
5-OxoprolinePyroglutamic acidME8296577405C018793.41-
6-MethyladenosineN6-MethyladenosineME829710102175NA1.4-
8-Hydroxy-deoxyguanosine8-Hydroxy-deoxyguanosineME82971173318NA2.37-
8-hydroxyguanosine8-HydroxyguanosineME82973165131NA--
AcetylcholineAcetylcholineME829725187C01996--
AdenosineAdenosineME82970860961C002121.64-
alpha-Tocopherolalpha-TocopherolME82971614985C024770.8-
Anthranilate2-Aminobenzoic acidME829724227C00108--
BetaineBetaineME829649247C007192.86-
BilirubinBilirubinME8297175280352C004860.8-
CadaverineCadaverineME829640273C016724.89-
CarnitineCarnitineME82968210917C004874.12-
CarnosineCarnosineME829735439224C003864.61-
CholineCholineME829642305C001142.22-
CreatineCreatineME829661586C003004.1-
CreatinineCreatinineME829646588C007911.68-
Cys-GlyCys-GlyME829719439498C014194.05-
CysteamineCysteamineME8296786058C016784.81-
CytidineCytidineME8297056175C004752.41-
CytosineCytosineME829645597C003801.92-
DeoxyuridineDeoxyuridineME82970213712C005261.37-
D-GlucosamineGlucosamineME829688439213C00329--
DimethylglycineDimethylglycineME829643673C010263.46-
D-MannoseMannoseME829689185698C00159--
D-SorbitolSorbitolME8296915780C007943.48-
Ethyl 4-aminobutyrate-ME829660-NA1.51-
GlycerolGlycerolME829732753C001161.58-
GuanosineGuanosineME8297346802C003872.71-
Guanosine 5'-monophosphateGMPME8297146804C001445.12-
HydroxyprolineHydroxyprolineME8296625810C011574.06-
IndoleIndoleME829651798C004630.79-
Indole-3-acetateIndoleacetic acidME829687802C009541.1-
IndolelactateIndolelactic acidME829698676157C020431.33-
IndolePyruvateIndolepyruvateME829728803C00331--
InosineInosineME8297096021C002942.09-
L-AdrenalineEpinephrineME8297275816C00788--
L-AlanineAlanineME8296395950C000414.08-
L-ArginineArginineME8296866322C000625.09-
L-AsparagineAsparagineME8296676267C001524.59-
L-AspartateAspartic acidME8296685960C000495.08-
L-CysteineCysteineME8296545862C000973.71-
L-CystineCystineME82970467678C004915.45-
L-GlutamateGlutamic acidME82967633032C000254.92-
L-GlutamineGlutamineME8296745961C000644.44-
L-GlycineGlycineME829635-NA4.34-
L-HistidineHistidineME8296806274C001354.57-
L-HomocysteineHomocysteineME82966991552C001553.4-
L-HomoserineHomoserineME82965212647C002634.28-
L-IsoleucineIsoleucineME8296646306C004072.68-
L-KynurenineKynurenineME829699161166C003282.51-
L-LeucineLeucineME8296656106C001232.5-
L-LysineLysineME8296755962C000475.2-
L-MethionineMethionineME8296776137C000733.06-
L-NormetanephrineNormetanephrineME8297331237C055892.18-
L-OrnithineOrnithineME8296666262C000775.28-
L-PhenylalaninePhenylalanineME8296836140C000792.43-
L-PipecolatePipecolic acidME829658439227C004083.5-
L-ProlineProlineME829647145742C001483.45-
L-SerineSerineME8296445951C000654.53-
L-ThreonineThreonineME8296536288C001884.24-
L-TryptophanTryptophanME8296976305C000782.38-
L-TyrosineTyrosineME8296906057C000823.42-
L-ValineValineME8296506287C001833.39-
MelatoninMelatoninME829703896C015980.85-
MethylthioadenosineMethylthioadenosineME829712439176C001701.17-
N1-AcetylspermineN1-AcetylspermineME829706916C025675.61-
N8-AcetylspermidineN8-AcetylspermidineME829692123689C010294.81-
N-AcetylputrescineN-AcetylputrescineME829659122356C027143.04-
NicotinamideNiacinamideME829655936C001531.19-
Nicotinamide mononucleotideNicotinamide ribotideME82971314181C004555.01-
N-Methylhistamine1-MethylhistamineME829721912C05127--
N(pi)-Methyl-L-histidine3-MethylhistidineME82968464969C011524.83-
O-AcetylcarnitineCAR 2:0ME8296967045767C025713.27-
O-PhosphotyrosineO-PhosphotyrosineME82972930819C06501--
PutrescinePutrescineME8296371045C001345.06-
PyridoxinePyridoxineME8296851054C003141.28-
S-AdenosylmethionineS-AdenosylmethionineME82971534756C00019--
Salicyluric acidSalicyluric acidME82969410253C075881.35-
SarcosineSarcosineME8296381088C002133.88-
SerotoninSerotoninME8297225202C00780--
SpermidineSpermidineME8296731102C003155.86-
SpermineSpermineME8296951103C007506.28-
TaurineTaurineME8296561123C002453.54-
TrimethylamineTrimethylamineME8296341146C005652.11-
Trimethylamine-N-oxideTrimethylamine N-oxideME8296361145C011043.58-
TryptamineTryptamineME8296811150C003981.38-
TyramineTyramineME8296715610C004831.65-
UridineUridineME8297076029C002991.67-
XanthurenateXanthurenic acidME8297235699C02470--


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(S)-HETE12S-HETEME82979617395775C147770.78-
13(S)-HODE13S-HODEME8297916443013C147620.78-
2/3-Phosphoglyceric acid-ME829773-NA--
2-Hydroxyglutarate2-Hydroxyglutaric acidME82984243C02630--
2-Hydroxyisovaleric Acid2-Hydroxy-3-methylbutyric acidME82974499823NA1.56-
2-MethylmaleateCitraconic acidME829827643798C022261.15-
2-MethylpropanoateIsobutyric acidME8298346590C02632--
2-Oxoglutarate2-Oxoglutaric acidME82984151C00026--
2-Oxoisovalerate-ME82983649C00141--
3',5'-Cyclic GMP3',5' cyclic GMPME82980324316C009424.15-
3-Indoxyl SulfateIndoxyl sulfateME82977710258NA0.87-
3-Methyl-2-oxopentanoate3-Methyl-2-oxovaleric acidME829853-NA1.07-
3-Methylbutanoic acidIsovaleric acidME82985210430C082620.92-
3-NitrotyrosineNitrotyrosineME82978065124NA2.02-
3-UreidopropionateUreidopropionic acidME829840111C02642--
4-Aminobutanoategamma-Aminobutyric acidME829737119C003344.2-
4-Hydroxy-2-quinolinecarboxylic acidKynurenic acidME8297753845C017171.72-
4-Hydroxyphenylpyruvate4-Hydroxyphenylpyruvic acidME829771979C011791.34-
4-Methyl-2-oxopentanoateKetoleucineME82974870C002331.16-
4-Pyridoxate4-Pyridoxic acidME8297726723C008471.07-
5-Methyltetrahydrofolate5-Methyl-THFME829815439234C004404.7-
AcetoacetateAcetoacetic acidME82973696C001641.87-
AdenineAdenineME829752190C001471.53-
AdipateAdipic acidME829754196C061042.19-
ADPADPME8298116022C000085.27-
AllantoinAllantoinME829828204C023502-
AMPAMPME8298056083C000204.7-
ArachidonateArachidonic acidME829792444899C002190.77-
ATPATPME8298175957C000025.62-
Azelaic acidAzelaic acidME8297742266C082611.17-
Benzoic acidBenzoic acidME829747243C001801.2-
beta-D-Fructose-ME829843-C02336--
beta-D-Glucose/L-Galactose-ME829770-NA3.6-
BiotinBiotinME829783171548C001201.53-
cis-Aconitatecis-Aconitic acidME829829643757C004173.21-
CitrateCitric acidME829831311C001584.67-
CMPCMPME8297986131C000554.87-
dCMPdCMPME82979313945C002394.9-
D-ErythroseErythroseME829837-NA--
D-GlucuronateGlucuronic acidME829776444791C001914.86-
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME829765439168C001184.7-
DopamineDopamineME829757681C037582.4-
D-Ribose 5-phosphateRibose 5-phosphateME829782440101C00117--
dTMPdTMPME8297979700C003644.4-
dUTPdUTPME82984765070C00460--
F16BP/F26BP-ME829800-NA--
F6P/F1P-ME829784-NA--
FolateFolic acidME8298126037C005044.77-
FumarateFumaric acidME829826444972C001224.58-
G16BP-ME829799-NA--
G1PGlucose 1-phosphateME829844-NA--
G6PGlucose 6-phosphateME82978571668263NA5.12-
GDPGDPME8298138977C000355.53-
Gibberellin A3Gibberellin A3ME8298046466C016991.38-
GlutarateGlutaric acidME829750743C004892.91-
GlutathioneGlutathioneME829794124886C000514.92-
Glutathione disulfideOxidized glutathioneME82982065359C001275.82-
GlyceraldehydeGlyceraldehydeME829849751C021542.65-
Glyceric acidGlyceric acidME829835439194C00258--
Glycerone phosphate (Dihydroxyacetone phosphate)-ME829764-NA4.7-
GlycochenodeoxycholateGlycochenodeoxycholic acidME82983212544C05466--
GlycocholateGlycocholic acidME82981610140C019211.97-
GTPGTPME8298196830C000445.88-
GuanidinoacetateGuanidoacetic acidME829743763C005814.2-
Heptadecanoic acidMargaric acidME82978610465NA0.77-
HippurateHippuric acidME829768464C015861.56-
HomogentisateHomogentisic acidME829762780C005441.34-
HomovanillateHomovanillic acidME8298551738C055820.95-
HypoxanthineHypoxanthineME829753790C002621.8-
IMPIMPME8298068582C001304.9-
IsocitrateIsocitric acidME8298541198C003116.32-
L-2-Aminoadipatealpha-Aminoadipic acidME82975992136C009564.9-
LactoseLactoseME82980184571C002434.39-
L-ArgininosuccinateArgininosuccinic acidME82979016950C034065.41-
L-CitrullineCitrullineME8297679750C003274.64-
L-CystathionineCystathionineME829779439258C022915.43-
LinoleateLinoleic acidME8297875280450C015950.77-
LinolenateOctadecatrienoic acidME8297885280934C064270.76-
L-LactateLactic acidME829825107689C001862.44-
Maleic AcidMaleic acidME829741444266C013841.18-
MalonateMalonic acidME829738867C003831.84-
MalondialdehydeMalondialdehydeME82983310964C19440--
MethylmalonateMethylmalonic acidME829746487C021701.61-
MethylSuccinateMethylsuccinic acidME8298386950476C08645--
Monodehydroascorbate-ME829830-C010413.26-
myo-InositolMyo-inositolME829769-C001374.63-
N6-(1,2-Dicarboxyethyl)-AMPAdenylsuccinic acidME829846447145C03794--
N-Acetyl-beta-neuraminate-ME829795445063C199104.69-
N-AcetylGlycineN-AcetylglycineME82974210972NA3.25-
NAD+NADME8298215892C000035.17-
NADHNADHME829822439153C000045-
NADP+NADPME8298235885C000065.53-
NADPHNADPHME8298245884C000055.45-
OrotateOrotic acidME829758967C002952.64-
Orotidine 5'-phosphateOrotidylic acidME829808160617C011035.44-
OxalacetateOxaloacetic acidME829839970C00036--
OxalateOxalic acidME829851971C002094.61-
PantothenatePantothenic acidME8297786613C008642.17-
PhenylpyruvatePhenylpyruvic acidME829760997C001660.95-
Phosphoenolpyruvic AcidPhosphoenolpyruvic acidME8297611005C000745.1-
Polyprenyl diphosphate-ME829845445995C00341--
Prostaglandin E2PGE2ME8298075280360C005840.88-
PyruvatePyruvic acidME8298501060C000221.68-
(R)-2-Hydroxyisocaproate-ME829749439960C032641.37-
(R)-3-Hydroxybutyric acid3R-Hydroxybutyric acidME829739441C010891.79-
(R)-MevalonateMevalonic acidME829755439230C004182.1-
S-AdenosylhomocysteineS-AdenosylhomocysteineME829809439155C000214.54-
ShikimateShikimic acidME8297668742C004934.31-
(S)-MalateMalic acidME829751222656C001494.57-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME829848439162C000934.52-
SuccinateSuccinic acidME8297451110C000422.48-
SucroseSucroseME8298025988C000894.34-
TaurocholateTaurocholic acidME8298186675C051221.35-
Tetradecanoic acidMyristic acidME82978111005C064240.84-
TetrahydrofolateTHFME8298146140C000794.76-
UDPUDPME8298106031C000155.39-
UracilUracilME8297401174C001061.25-
UrateUric acidME8297631175C003663.98-
XanthineXanthineME8297561188C003851.77-
XanthosineXanthosineME82978964959C017623.13-


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