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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
2-hydroxyglutaric acid2-Hydroxyglutaric acidME63845943C02630506306247
alpha-ketoglutarate2-Oxoglutaric acidME63844451C00026507392198
2-ketoisocaproic acidKetoleucineME63845770C0023331076189
adipic acidAdipic acidME638447196C06104474435111
pentoseGalacturonic acidME638355229-540818103
beta-alaninebeta-AlanineME638436239C00099435564248
benzoic acidBenzoic acidME638437243C00180339067179
citric acidCitric acidME638431311C00158617342273
caprylic acidCaprylic acidME638435379C06423343457201
malic acidMalic acidME638380525C00711463180233
creatinineCreatinineME638428588C00791502599115
cystineCystineME638427595C01420804619218
lactic acidLactic acidME638387612C01432217657191
ethanolamineEthanolamineME638421700C00189344719174
3-phosphoglycerate3-Phosphoglyceric acidME638450724C00597610734227
glutaric acidGlutaric acidME638409743C00489421596261
glycineGlycineME638404750C00037368707248
glycerolGlycerolME638407753C00116344466205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME638405754C03189590747357
glycolic acidGlycolic acidME638403757C00160227636177
hypoxanthineHypoxanthineME638400790C00262619128265
indole-3-acetateIndoleacetic acidME638399802C00954684929202
ribitolRibitolME638345827C00474575497217
nicotinic acidNicotinic acidME638370938C00253366992180
orotic acidOrotic acidME638366967C00295586317254
oxalic acidOxalic acidME638365971C00209260513190
oxamic acidOxamic acidME638364974C01444338255190
palmitic acidPalmitic acidME638361985C00249713809313
phenolPhenolME638354996C00146218927151
phosphatePhosphoric acidME6383521004C00009345365314
enolpyruvatePhosphoenolpyruvic acidME6384231005C00074234394217
phosphoethanolaminePhosphoethanolamineME6383511015C00346603912299
pyruvic acidPyruvic acidME6383461060C00022213805174
citramalic acidCitramalic acidME6384321081C00815456203247
succinic acidSuccinic acidME6383371110C00042370608247
uracilUracilME6383281174C00106385735241
uric acidUric acidME6383261175C00366730691441
ureaUreaME6383271176C00086328888189
xanthineXanthineME6383231188C00385701688353
1-methylgalactose-ME6384652108-664807204
p-cresolP-CresolME6383622879C01468280360165
indole-3-propionic acid3-Indolepropionic acidME6383973744-732249202
3-phenyllactic acidPhenyllactic acidME6384513848-516011193
lauric acidLauric acidME6383863893C02679547906117
stearic acidStearic acidME6383385281C01530787622117
sorbitolSorbitolME6383395780C00794667922217
trans-4-hydroxyprolinetrans-4-HydroxyprolineME6383325810C01157460662158
alanineAlanineME6384465950C00041244189116
serineSerineME6383415951C00065395020218
aspartic acidAspartic acidME6384405960C00049480387232
glutamineGlutamineME6384105961C00064600000156
lysineLysineME6383825962C00047663483156
sucroseSucroseME6383365988C00089915139271
cholesterolCholesterolME6384335997C001871078536129
inosineInosineME6383966021C00294897434230
uridineUridineME6383256029C00299856709224
tyrosineTyrosineME6383306057C00082671252218
adenosine-5-monophosphateAMPME6384486083C000201038688169
leucineLeucineME6383856106C00123346101158
methionineMethionineME6383766137C00073483560176
phenylalaninePhenylalanineME6383536140C00079537804218
ornithineOrnithineME6383676262C00077594051174
asparagineAsparagineME6384416267C00152553078188
histidineHistidineME6384016274C00135663790154
valineValineME6383246287C00183313502144
threonineThreonineME6383336288C00188408777218
tryptophanTryptophanME6383316305C00078780482202
isoleucineIsoleucineME6383946306C00407359251158
pantothenic acidPantothenic acidME6383596613C12276690887291
2-aminobutyric acid2-Aminobutyric acidME6384616657C02721286855130
xylitolXylitolME6383226912C00379567437217
gluconic acid lactoneGluconolactoneME6384157027C00198645815220
oxoprolineOxoprolineME6383637405C01879485935156
isopropylbenzeneIsopropylbenzeneME6383927406C14396240619105
pelargonic acidPelargonic acidME6383578158C01601399229117
dodecanolDodecanolME6384248193C02277507619243
behenic acidBehenic acidME6384388215C08281920648117
octadecanolStearyl alcoholME6383698221-755409327
shikimic acidShikimic acidME6383408742C00493611100204
citrullineCitrullineME6384309750C00327621404157
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME63845310394C01744598147179
heptadecanoic acidMargaric acidME63840210465-751309117
cerotinic acidCerotic acidME63843410469-1033286145
myristic acidMyristic acidME63837411005C06424634414285
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME63834712473C05942394886240
pentadecanoic acidPentadecylic acidME63835613849C16537674647117
1-monopalmitinMG 16:0/0:0/0:0ME63846314900C01885901749371
pseudo uridinePseudouridineME63834815047C02067813899217
UDP-glucuronic acidUDP-glucuronic acidME63832917473C00167585473217
mannoseMannoseME63837718950C00159645856205
1-monostearinMG 18:0/0:0/0:0ME63846224699D01947959214203
glutamic acidGlutamic acidME63841133032C00025529100246
saccharic acidGlucaric acidME63834233037C00818699211333
glucoseGlucoseME63841464689C00221659798319
parabanic acidParabanic acidME63835867126C00802464991100
3-hydroxybutyric acid3-Hydroxybutyric acidME63845292135C01089278632191
indole-3-lactateIndolelactic acidME63839892904C02043764586202
N-carbamoylaspartateN-Carbamoylaspartic acidME63837193072C00438611345257
alloxanoic acidAlloxanoic acidME63844594146-584472331
arabitolArabitolME63844294154C01904572730103
lactamideLactamideME63838894220-263097232
dehydroabietic acidDehydroabietic acidME63842694391C12078849349239
glucuronic acidGlucuronic acidME63841294715C00191665901333
2-hydroxyvaleric acid2-Hydroxyvaleric acidME63845898009-309587131
aminomalonateAminomalonic acidME638443100714C00872455754218
1-monoheptadecanoyl glyceride-ME638464107036-930489385
N-acetylputrescineN-AcetylputrescineME638372122356C02714595523174
2,4-diaminobutyric acid2,4-Diaminobutyric acidME638455134490C03283441621100
xyloseXyloseME638321135191C00181543267103
prolineProlineME638349145742C00148364716142
2-deoxytetronic acid3,4-Dihydroxybutyric acidME638460150929-433456189
isothreonic acidD-Threonic acidME638390151152C00639489385292
methionine sulfoxideMethionine sulfoxideME638375158980C02989637588128
pinitolPinitolME638350164619-624716260
threitolThreitolME638335169019C16884467595217
erythritolErythritolME638422222285C00503471922217
2,3-dihydroxybutanoic acid2,3-Dihydroxybutanoic acidME638456250402-384796292
deoxypentitol1-Deoxy-D-ribitolME638425270738-528774231
maltoseMaltoseME638379439186C00208946601204
isomaltoseIsomaltoseME638393439193C00252983199160
glyceric acidGlyceric acidME638408439194C00258377308189
xyluloseXyluloseME638320439205C00312553450173
N-acetylornithineN-AcetylornithineME638373439232C00437697086174
glucose-6-phosphateGlucose 6-phosphateME638413439427C01172810287387
maltotrioseMaltotrioseME638378439586C018351176972361
fucoseFucoseME638418439650C02095578299160
fructoseFructoseME638420439709C02336641863307
fructose-6-phosphateFructose 6-phosphateME638419440641C05345804750315
maleic acidMaleic acidME638381444266C01384363611245
fumaric acidFumaric acidME638417444972C00122390016245
palmitoleic acidPalmitoleic acidME638360445638C08362706259311
oleic acidOleic acidME638368445639C00712781527339
aconitic acidcis-Aconitic acidME638449643757C00417586815229
levoglucosanGlucosanME6383842724705-569637204
linoleic acidLinoleic acidME6383835280450C01595777414150
isocitric acidIsocitric acidME6383955318532C00451616323245
threonic acidThreonic acidME6383345460407C01620497572292
ribonic acidRibonic acidME6383445460677C01685599680292
gluconic acidGluconic acidME6384166857417C00800693148333
conduritol-beta-epoxideConduritol epoxideME6384299989541-675635318
isoriboseD-RibopyranoseME63839110975657-558730217
riboseRiboseME63834310975657-553071217
glycerol-3-galactosideGalactosylglycerolME63840616048618C05401805227204
azelaic acidAzelaic acidME63843919347555C08261610551317
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME63845423368901-397526241
kynurenineKynurenineME63838925245862C01718769709218


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