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Analysis: GCMS 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 acidME64395643C02630506359129
2-ketoisocaproic acidKetoleucineME64395770C00233310629200
agmatineAgmatineME643964199C00179587051157
allantoinAllantoinME643966204C01551647887331
beta alaninebeta-AlanineME643973239C00099435138174
citric acidCitric acidME643976311C00158617288273
glycineGlycineME643999750C00037368041174
glycerolGlycerolME643996753C00116344223205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME643997754C03189591357299
glycolic acidGlycolic acidME644000757C00160227487177
hydroxylamineHydroxylamineME644005787C00192255313146
inositol myo-Myo-inositolME644007892C00137729867305
oxalic acidOxalic acidME644032971C00209259625147
palmitic acidPalmitic acidME644034985C00249713542313
phosphoric acidPhosphoric acidME6440381004C00009344674299
phosphoethanolaminePhosphoethanolamineME6440371015C00346604454100
putrescinePutrescineME6440411045C00134587728174
succinic acidSuccinic acidME6440501110C00042370518147
ureaUreaME6440601176C00086328046171
glycerol-beta-phosphatesn-Glycero-2-phosphateME6439982526C02979574994211
lauric acidLauric acidME6440133893C02679547810117
stearic acidStearic acidME6440485281C01530787358117
glucoseGlucoseME6439885793C00031649920160
glucose non-meoxGlucoseME6439895793C00031679288204
alanineAlanineME6439655950C00041243537116
serineSerineME6440455951C00065394656204
glucose-6-phosphateGlucose 6-phosphateME6439915958C00092809066387
aspartic acidAspartic acidME6439725960C00049480543232
glutamineGlutamineME6439945961C00064600452156
lysineLysineME6440195962C00047663088156
fructoseFructoseME6439825984C00095638631307
sucroseSucroseME6440515988C00089915457271
cholesterolCholesterolME6439745997C001871077630129
galactoseGalactoseME6439856036C00124647787160
tyrosineTyrosineME6440596057C00082671085218
adenosine-5-monophosphateAMPME6439636083C000201040943169
leucineLeucineME6440146106C00123345953158
phenylalaninePhenylalanineME6440366140C00079537760218
ornithineOrnithineME6440316262C00077527822142
asparagineAsparagineME6439716267C00152553791116
valineValineME6440616287C00183313224144
threonineThreonineME6440546288C00188409403117
tryptophanTryptophanME6440586305C00078779834202
isoleucineIsoleucineME6440116306C00407358756158
arginine + ornithineArginineME6439696322C00062619420142
inositol-4-monophosphateInositol 4-phosphateME6440086349C03546845491318
guanosineGuanosineME6440016802C00387955097324
ribitolRibitolME6440436912C00474572822217
xylitolXylitolME6440626912C00379563718217
lactobionic acidLactobionic acidME6440127314-952195204
oxoprolineOxoprolineME6440337405C01879486399156
trehaloseTrehaloseME6440577427C01083947837191
pelargonic acidPelargonic acidME6440358158C01601399163117
shikimic acidShikimic acidME6440468742C00493610984204
citrullineCitrullineME6439779750C00327622791256
arachidic acidArachidic acidME64396810467C06425856203117
myristic acidMyristic acidME64402711005C06424634543285
homoserineHomoserineME64400312647C00263444264128
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME64402614900-901207371
tocopherolalpha-TocopherolME64405514985C024771067178237
2-deoxyerythritol NIST2-DeoxyerythritolME64395518302-422939103
N-acetyl-D-hexosamineN-AcetylhexosamineME64402824139C03136746708103
glutamic acidGlutamic acidME64399333032C00025529370246
adenosineAdenosineME64396260961C00212917818236
glucose-1-phosphateGlucose 1-phosphateME64399065533C11450594823217
sophoroseSophoroseME64404788719C08250953453319
lyxitolL-ArabitolME64402094154C00532575571217
glucuronic acidGlucuronic acidME64399294715C00191666743333
5-hydroxynorvaline NISTL-2-Amino-5-hydroxypentanoic acidME64396195562-494838142
galactose-6-phosphate_199932Galactose 6-phosphateME64398699058C01113817783387
glucoheptuloseGlucoheptuloseME643987102926-828610331
1-monostearinMG 18:0/0:0/0:0ME643954107036D01947959625399
1,2-anhydro-myo-inositol NIST1,2-Anhydro-myo-inositolME643953119054-652000318
xyloseXyloseME644064135191C00181542808103
phytolPhytolME644039145386C01389761377143
prolineProlineME644040145742C00148364232142
threonic acidThreonic acidME644053151152C01620497167292
methionie sulfoxideMethionineME644025158980C02989605961128
4-hydroxyphenyl-2-ethylglucopyranoside NIST4-Hydroxyphenyl-2-ethylglucopyranosideME643959159278C06046950408204
threitolThreitolME644052169019C16884467314217
idonic acid NIST-ME644006193325-698217333
dehydroascorbateL-Dehydroascorbic acidME643978210328C00425633331173
erythritolErythritolME643979222285C00503471274205
malateMalic acidME644021222656C00149462908233
5'-deoxy-5'-methylthioadenosine5'-MethylthioadenosineME643960439176C00170967673236
maltoseMaltoseME644023439186C00208946798361
glyceric acidGlyceric acidME643995439194C00258377001189
raffinoseRaffinoseME644042439242C004921121372361
levanbioseLevanbioseME644015439555C01725938676217
maleic acidMaleic acidME644022444266C01384365286147
fumarateFumaric acidME643983444972C00122390988245
oleic acidOleic acidME644030445639C01712778858339
trans-sinapinic acidSinapic acidME644056637775C00482788461338
cis-sinapinic acidcis-Sinapic acidME6439751549091-718366338
levoglucosanGlucosanME6440162724705-569799204
erythronic acidErythronic acidME6439802781043-512521218
mannonic acid NISTMannonic acidME6440243246006C00514689431333
homoglutamineHomoglutamineME6440024153392-446840170
linoleic acidLinoleic acidME6440175280450C01595777102337
linolenic acidOctadecatrienoic acidME6440185280934C06427779785108
erythronic acid lactoneErythrono-1,4-lactoneME6439815325915-407645147
ribonic acidRibonic acidME6440445460677C01685598019292
suberyl glycineSuberylglycineME6440496453952-532293188
xylonic acidXylonic acidME6440636602431C00502588743292
arabinoseArabinoseME6439677044039C00216546892217
N-acetyl-D-mannosamineN-Acetyl-mannosamineME64402911096158C00645733793205
galactinolGalactinolME64398411727586C012351017113204
isogalactinolGalactinolME64401011727586C012351047512204
3,6-anhydrogalactose3,6-Anhydro-galactoseME64395816069996C06474589230231
hydroxycarbamate NISTHydroxycarbamic acidME64400416639161-325357278
isofucostanolIsofucostanolME64400925244285C196441127553129
ascorbic acidVitamin CME64397054670067C00072673155332


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