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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
1,2,4-benzenetriol1,2,4-TrihydroxybenzeneME26393110787C02814521803239
1-kestose1-KestoseME263930440080C036611123027361
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME263929250402-384796292
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME26392823368901-397526241
2,6-diaminopimelic acid2,6-Diaminopimelic acidME263927865-686035200
2-aminobutyric acid2-Aminobutyric acidME2639266657C02721285825130
2'-deoxyguanosineDeoxyguanosineME263925187790C00330959764280
2-hydroxyglutaric acid2-Hydroxyglutaric acidME26392443C02630506306247
2-picolinic acidPicolinic acidME2639231018C10164383668180
3-aminoisobutyric acid3-Aminoisobutanoic acidME26392264956C05145309837102
3-arylcarbonyl-alanine NIST-ME263921--826372323
3-hydroxybutyric acid3-Hydroxybutyric acidME26392092135C01089278829191
3-phosphoglycerate3-Phosphoglyceric acidME263919724C00597610734227
4-aminobutyric acid4-Aminopentanoic acidME263918119C00334488730304
4-hydroxybutyric acid4-Hydroxybutyric acidME26391710413C00989325027233
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME263916439176C00170967036236
5-hydroxynorvaline NISTL-2-Amino-5-hydroxypentanoic acidME26391595562-494077142
5-methoxytryptamine5-MethoxytryptamineME2639141833C05659864466174
adenineAdenineME263913190C00147646534264
adenosineAdenosineME26391260961C00212918039236
adenosine-5-monophosphateAMPME2639116083C000201038688169
alanineAlanineME2639105950C00041240378116
alpha-aminoadipic acidalpha-Aminoadipic acidME26390992136C00956573295260
alpha-ketoglutarate2-Oxoglutaric acidME26390851C00026507392198
aminomalonateAminomalonic acidME263907100714C00872455754218
arachidic acidArachidic acidME26390610467C06425856421117
asparagineAsparagineME2639056267C00152553078188
aspartic acidAspartic acidME2639045960C00049480387232
benzoic acidBenzoic acidME263903243C00180338990179
beta-alaninebeta-AlanineME263902239C00099435564248
beta-glutamic acidIsoglutamic acidME26390173064C05574525547232
butyrolactam NIST2-PyrrolidinoneME26390012025-277199142
cellobioseCellobioseME2638996255C01971932179204
cholesterolCholesterolME2638985997C001871078536129
citric acidCitric acidME263897311C00158617342273
citrullineCitrullineME2638969750C00327621404157
conduritol-beta-epoxide minorConduritol epoxideME2638959989541-675635318
cystathionine nistCystathionineME263894439258C02291772979218
cysteineCysteineME2638935862C00097500158220
cysteine-glycineCys-GlyME263892439498C01419715335220
cystineCystineME263891595C01420804619218
dihydroxyacetoneDihydroxyacetoneME263890670C0018433212089
dodecanolDodecanolME2638898193C02277507619243
enolpyruvate NISTPhosphoenolpyruvic acidME2638881005C00074234394217
ethanolamineEthanolamineME263887700C00189344719174
fructoseFructoseME263886439709C02336641863307
fructose-6-phosphateFructose 6-phosphateME263885440641C05345804279315
fumaric acidFumaric acidME263884444972C00122390775245
galactinolGalactinolME26388311727586C012351002731204
gluconic acidGluconic acidME2638826857417C00800693148333
glucose-1-phosphateGlucose 1-phosphateME26388065533C00103594647217
glucose 2GlucoseME26388164689C00221659798319
glucose-6-phosphateGlucose 6-phosphateME2638795958C00092818275387
glutamic acidGlutamic acidME26387833032C00025529100246
glutamineGlutamineME2638775961C00064600000156
glutaric acidGlutaric acidME263876743C00489421596261
glyceric acidGlyceric acidME263875439194C00258377495189
glycerolGlycerolME263874753C00116344466205
glycerol-3-galactosideGalactosylglycerolME26387316048618C05401800205204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME263872754C03189590747357
glycineGlycineME263871750C00037371151248
glycolic acidGlycolic acidME263870757C00160227215177
glycyl-prolineGly-ProME2638683013625-691662174
glycyl tyrosineGly-TyrME26386992829-922071174
guanineGuanineME263867764C00242744307352
guanosineGuanosineME2638666802C00387954962324
heptadecanoic acidMargaric acidME26386510465-751309117
hexadecaneHexadecaneME26386411006-52596485
hexitolSorbitolME263863453C00392704741217
hexose-6-phosphateHexose 6-phosphateME263862208C02965806282387
hexuronic acidHexuronic acidME263861152867-667373160
histidineHistidineME2638606274C00135663790154
homocystineDL-HomocystineME26385910010C01817874865128
homoserineHomoserineME26385812647C00263443878218
hydroxycarbamate NISTHydroxycarbamic acidME26385716639161-325318278
hydroxylamineHydroxylamineME263856787C00192255241146
hypoxanthineHypoxanthineME263855790C00262619128265
inosineInosineME2638546021C00294897184230
inositol-4-monophosphateInositol 4-phosphateME263853440043C03546845976315
isoleucineIsoleucineME2638526306C00407359251158
isomaltoseIsomaltoseME263851439193C00252983199160
isothreonic acidD-Threonic acidME263850151152C00639489385292
isoxanthopterinIsoxanthopterinME26384910729C03975747928380
lactic acidLactic acidME263848612C01432217657191
lactitolLactitolME263847157355C13542959541361
lactoseLactoseME263846440995C00243935640191
lauric acidLauric acidME2638453893C02679547906117
leucineLeucineME2638446106C00123346101158
lysineLysineME2638435962C00047663483156
maleic acidMaleic acidME263842444266C01384363611245
maleimideMaleimideME26384110935C07272245118154
malic acidMalic acidME263840525C00711463180233
maltose 1MaltoseME263839439186C00208946601204
maltotriitol-ME263838--1216941361
maltotrioseMaltotrioseME263837439586C018351176044361
mannoseMannoseME26383618950C00159645856205
melezitoseMelezitoseME26383592817C082431146704361
methanolphosphateMethanolphosphateME26383413130-289520241
methionineMethionineME2638336137C00073483560176
methionine sulfoxideMethionine sulfoxideME263832158980C02989637588128
methyl O-D-galactopyranosideMethyl beta-D-galactosideME26383194214C03619630836204
myo-inositolMyo-inositolME263830892C00137730022305
myristic acidMyristic acidME26382911005C06424634414285
N-acetylaspartic acidN-Acetylaspartic acidME26382865065C01042548028158
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME263827440552C05021720730319
N-carbamoylaspartateN-Carbamoylaspartic acidME26382693072C00438611345257
n-epsilon-trimethyllysineN-6-TrimethyllysineME263825440121-512366118
nicotinamideNiacinamideME263824936C00153469827179
nicotinic acidNicotinic acidME263823938C00253366992180
O-acetylserineO-AcetylserineME26382299478C00979414914174
oleic acidOleic acidME263821445639C00712779120339
ornithine 3TMSOrnithineME2638206262C00077527113142
orotic acidOrotic acidME263819967C00295586317254
oxamic acidOxamic acidME263818974C01444338255190
oxoprolineOxoprolineME2638177405C01879485935156
palatinitol1,2,3-ButanetriolME26381688735-996670204
palmitic acidPalmitic acidME263815985C00249713809313
pantothenic acidPantothenic acidME2638146613C12276690887291
pelargonic acidPelargonic acidME2638138158C01601399229117
phenylalaninePhenylalanineME2638126140C00079537804218
phenylethylaminePhenylethylamineME2638111001C05332510327174
phosphatePhosphoric acidME2638101004C00009345365314
phosphoethanolaminePhosphoethanolamineME2638091015C00346604335299
pipecolinic acidPipecolic acidME2638086931662-404121156
piperidone2-PiperidinoneME26380712665-275603156
prolineProlineME263806145742C00148364716142
propane-1,3-diol NISTPropane-1,3-diolME26380510442C02457214380177
putrescinePutrescineME2638041045C00138588119174
pyrophosphatePyrophosphateME2638031023C00013327517110
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME26380212473C05942394886240
pyruvic acidPyruvic acidME2638011060C00022213805174
raffinoseRaffinoseME263800439242C004921120886361
riboseRiboseME2637995779C00121553135217
saccharopineSaccharopineME263798160556C00449865907156
sarcosineSarcosineME2637977311726C00213266344116
serineSerineME2637965951C00065395020218
shikimic acidShikimic acidME2637958742C00493611100204
spermidineSpermidineME2637941102C00315792924144
stearic acidStearic acidME2637935281C01530787622117
sucroseSucroseME2637925988C00089912704271
sulfuric acidTG 16:0_18:1_18:1ME2637911118C00059285430227
taurineTaurineME2637901123C00245558857326
threonic acidThreonic acidME2637895460407C01620497572292
threonineThreonineME2637886288C00188408777218
thymineThymineME2637871135C00178420133255
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2637865810C01157484934140
trehaloseTrehaloseME2637857427C01083948197191
trehalose-6-phosphateTrehalose 6-phosphateME263784122336C006891068812271
tryptophanTryptophanME2637836305C00078780482202
tyrosineTyrosineME2637826057C00082671252218
UDP GlcNAcUDP-N-acetylglucosamineME263781445675C00043627437226
uracilUracilME2637801174C00106385816241
ureaUreaME2637791176C00086328888189
uric acidUric acidME2637781175C00366730691441
uridineUridineME2637776029C00299861508217
valineValineME2637766287C00183313502144
xanthineXanthineME2637751188C00385701688353
xanthosineXanthosineME26377464959C01762926133325
xanthurenic acidXanthurenic acidME2637735699C02470795062406
xylitolXylitolME2637726912C00379567437217


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