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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,5-Anhydrosorbitol1,5-AnhydrosorbitolME53894564960C07326--
1-HexadecanolCetyl alcoholME5389582682C00823--
2,3-Dihydroxybutanedioic acidCampheneME538913-C06304--
2-Aminoheptanedioic acid-ME538938101122---
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME53884299823---
2-Hydroxybutyric acid2-Hydroxybutyric acidME53883611266C05984--
2-Phosphoglyceric acid2-Phosphoglyceric acidME53893559---
3-aminoglutaric acid_1-ME538890----
3-aminoglutaric acid_2-ME538906----
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME53893386C00632--
3-Hydroxybutyric acid3-Hydroxybutyric acidME538840441C01089--
3-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME53884469362C20827--
3-Phosphoglyceric acid3-Phosphoglyceric acidME538937724C00597--
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME538911135C00156--
4-Hydroxyprolinecis-4-HydroxyprolineME5388935810C01157--
5-Aminopentanoic acid5-Aminopentanoic acidME538912138C00431--
5-Methoxytryptamine5-MethoxytryptamineME5389911833C05659--
7-Methylguanine7-MethylguanineME53898011361C02242--
Acetoacetic acidAcetoacetic acidME53883796C00164--
AcetylglycineN-AcetylglycineME53885810972---
AdenineAdenineME538949190C00147--
AdenosineAdenosineME53899660961C00212--
Adipic acidAdipic acidME538885196C06104--
AllantoinAllantoinME538968204C01551--
Alpha-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME53883111671---
Aminoadipic acidAminoadipic acidME538924469C00956--
Arachidonic acidArachidonic acidME538989444899C00219--
Azelaic acidAzelaic acidME5389362266C08261--
Benzoic acidBenzoic acidME538851243C00539--
Beta-Alaninebeta-AlanineME538878239C00099--
Beta-Glycerophosphoric acidsn-Glycero-2-phosphateME5389252526C02979--
CadaverineCadaverineME538909273C01672--
Capric acidCapric acidME5388802969C01571--
Caprylic acidCaprylic acidME538853379C06423--
CholesterolCholesterolME5390055997C00187--
cis-Aconitic acidcis-Aconitic acidME538928643757C00417--
Citramalic acidCitramalic acidME538882441696C00815--
Citric acidCitric acidME538941311C00158--
CreatinineCreatinineME538900588C00791--
D-Alpha-aminobutyric acid2R-Aminobutyric acidME538843439691C02261--
D-ArabitolArabitolME53892694154C01904--
D-FucoseD-FucoseME538929444200C01018--
D-GalactoseGalactoseME538957439357C00984--
DihydrouracilDihydrouracilME538887649C00429--
DimethylglycineDimethylglycineME538828673C01026--
D-Leucic acidD-Leucic acidME538848439960C03264--
D-MannoseMannoseME53895118950C00936--
Docosahexaenoic acidDocosahexaenoic acidME538993445580C06429--
Dodecanoic acidLauric acidME5389163893C02679--
DopamineDopamineME538944681C03758--
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME53899592042786C05382--
D-TagatoseD-TagatoseME53894614408225C00795--
D-ThreitolThreitolME538886169019C16884--
D-XylitolXylitolME5389236912C00379--
D-XyloseXyloseME538918135191C00181--
Eicosapentaenoic acidEicosapentaenoic acidME538990446284C06428--
Elaidic acidElaidic acidME538979637517C01712--
EthanolamineEthanolamineME538856700C00189--
Ethylmalonic acidEthylmalonic acidME53885911756---
Fructose 1-phosphateFructose 1-phosphateME53898510400369C01094--
Fructose 6-phosphateFructose 6-phosphateME53898669507C00085--
Fumaric acidFumaric acidME538869444972C00122--
Galacturonic acidGalacturonic acidME53896184740C08348--
Gamma-Aminobutyric acidgamma-Aminobutyric acidME538895223130C00334--
Gluconic acidGluconic acidME53896510690C00257--
Glucose 6-phosphateGlucose 6-phosphateME5389885958C00092--
Glutamate, gamma-methyl esterGlutamic acid, gamma-methyl esterME53888968662---
Glutaric acidGlutaric acidME538876743C00489--
GlutathioneGlutathioneME538975745C00051--
GlyceraldehydeGlyceraldehydeME538847751C02154--
Glyceric acidGlyceric acidME538868439194C00258--
GlycerolGlycerolME538854753C00116--
Glycerol 3-phosphatesn-Glycero-3-phosphateME538932439162C00093--
GlycineGlycineME538866750C00037--
Glycolic acidGlycolic acidME538832757C03547--
Glycyl-glycineGly-GlyME53894311163C02037--
GuanineGuanineME538974764C00242--
GuanosineGuanosineME5390006802C00387--
Heptadecanoic acidMargaric acidME53897310465---
HistamineHistamineME538948774C00388--
HomocysteineHomocysteineME53891991552---
HydroxylamineHydroxylamineME538835787C00192--
Hydroxyphenyllactic acidHydroxyphenyllactic acidME5389529378C03672--
Hydroxypropionic acidHydroxypropionic acidME53883968152C01013--
HypotaurineHypotaurineME538907107812C00519--
HypoxanthineHypoxanthineME538940790C00262--
InosineInosineME5389946021C00294--
Isocitric acidIsocitric acidME5389391198C00311--
IsomaltoseIsomaltoseME53900410357C05400--
Itaconic acidItaconic acidME538871811C00490--
L-2-Hydroxyglutaric acid2-Hydroxyglutaric acidME538899439939C03196--
Labelled compound_TaurineTaurineME5389211123C00245--
LactitolLactitolME539002157355---
L-AlanineAlanineME5388335950C00041--
L-ArginineArginineME5389426322C00062--
L-AsparagineAsparagineME5389206267C00152--
L-Aspartic acidAspartic acidME5388915960C00049--
L-CystathionineCystathionineME538981439258C02291--
L-CysteineCysteineME5388985862C00097--
L-ErythruloseErythruloseME5388815460032C02045--
L-Glutamic acidGlutamic acidME53891033032C00025--
L-GlutamineGlutamineME5389345961C00064--
L-HistidineHistidineME5389566274C00135--
L-HomoserineHomoserineME53887912647C00263--
Linoleic acidLinoleic acidME5389775280450C01595--
L-IsoleucineIsoleucineME5388606306C00407--
L-KynurenineKynurenineME538976161166C00328--
L-Lactic acidLactic acidME538830107689C00186--
L-LeucineLeucineME5388576106C00123--
L-LysineLysineME5389545962C00047--
L-MethionineMethionineME5388926137C00073--
L-PhenylalaninePhenylalanineME5389146140C00079--
L-ProlineProlineME538863145742C00148--
L-SerineSerineME5388735951C00065--
L-SorboseSorboseME538950441484C08356--
L-ThreonineThreonineME5388746288C00188--
L-TryptophanTryptophanME5389836305C00078--
L-TyrosineTyrosineME5389596057C00082--
L-ValineValineME5388466287C00183--
Maleic acidMaleic acidME538862444266C01384--
Malic acidMalic acidME538883525C03668--
MaltitolMaltitolME539003493591---
Mannose 6-phosphateMannose 6-phosphateME538987439198C00275--
Mesaconic acidMesaconic acidME538875643798C01732--
Methylmalonic acidMethylmalonic acidME538845487C02170--
Methylsuccinic acidMethylsuccinic acidME53886710349C08645--
MG(18:0e/0:0/0:0)MG O-18:0ME53899910860876---
myo-InositolMyo-inositolME538971-C00137--
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME538970439174C00140--
N-AcetylgalactosamineN-Acetyl-D-galactosamineME53897284265C01074--
N-AcetylglutamineN-AcetylglutamineME538953182230---
N-Acetyl-L-alanineN-AcetylalanineME53885288064---
N-Acetyl-L-alanine_2N-AcetylalanineME53885588064---
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME53891765065C01042--
N-AcetylserineN-AcetylserineME53888865249---
N-Formyl-L-MethionineN-FormylmethionineME538922439750C03145--
NiacinamideNiacinamideME538884936C00153--
Nicotinic acidNicotinic acidME538861938C00253--
NorvalineNorvalineME538850439575C01799--
Oleic acidOleic acidME538978445639C00712--
O-PhosphoethanolaminePhosphoethanolamineME5389011015C00346--
OrnithineOrnithineME5389056262C00077--
Oxalacetic acidOxaloacetic acidME538896970C00036--
Oxalic acidOxalic acidME538834971C00209--
Palmitic acidPalmitic acidME538966985C00249--
Palmitoleic acidPalmitoleic acidME5389635312427C08362--
Pantothenic acidPantothenic acidME5389626613C00864--
Pelargonic acidPelargonic acidME5388728158C01601--
Phenylacetic acidPhenylacetic acidME538864999C07086--
Phenyllactic acidPhenyllactic acidME5389033848C01479--
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME5389041005C00074--
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME538915127C00642--
Pimelic acidPimelic acidME538902385C02656--
p-OctopamineOctopamineME538967440266C04227--
Psicose_2PsicoseME53894790008---
PutrescinePutrescineME5389311045C00134--
Pyroglutamic acidPyroglutamic acidME5388947405C01879--
Pyruvic acidPyruvic acidME5388291060C00022--
RhamnoseRhamnoseME53893025310C00507--
RibitolRibitolME538927-C00474--
(S)-3-Hydroxyisobutyric acid3-Hydroxyisobutyric acidME538841440873C06001--
SarcosineSarcosineME5388381088C00213--
SpermidineSpermidineME5389841102C00315--
Stearic acidStearic acidME5389825281C01530--
Succinic acidSuccinic acidME5388651110C00042--
SucroseSucroseME5389975988C00089--
Threonic acidThreonic acidME538897151152C01620--
ThymineThymineME5388771135C00178--
TrehaloseTrehaloseME5390017427C01083--
TriethanolamineTriethanolamineME5389087618C06771--
TryptamineTryptamineME5389601150C00398--
TyramineTyramineME5389555610C00483--
UracilUracilME5388701174C00106--
UreaUreaME5388491176C00086--
Uric acidUric acidME5389691175C00366--
UridineUridineME5389926029C00299--
XanthineXanthineME5389641188C00385--
XanthosineXanthosineME53899864959C01762--


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