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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
beta-alaninebeta-AlanineME230678239C00099435564248
benzoic acidBenzoic acidME230679243C00180339067179
citric acidCitric acidME230673311C00158617342273
caprylic acidCaprylic acidME230675379C06423343457201
hexitolSorbitolME230654453C00392704741217
creatinineCreatinineME230671588C00791502599115
lactic acidLactic acidME230645612C01432217657191
ethanolamineEthanolamineME230667700C00189344719174
glycineGlycineME230658750C00037368707248
glycerolGlycerolME230661753C00116344428205
glycerol-alpha-phosphatesn-Glycero-3-phosphateME230659754C03189593299357
glycolic acidGlycolic acidME230657757C00160227636177
hydroxylamineHydroxylamineME230651787C00192253158146
ribitolRibitolME230621827C00474575497217
myo-inositolMyo-inositolME230636892C00137730022305
palmitic acidPalmitic acidME230629985C00249713809313
phosphatePhosphoric acidME2306251004C00009345365314
phosphoethanolaminePhosphoethanolamineME2306241015C00346604335299
putrescinePutrescineME2306221045C00138588119174
citramalic acidCitramalic acidME2306741081C00815456203247
succinic acidSuccinic acidME2306131110C00042370608247
uric acidUric acidME2306051175C00366730691441
ureaUreaME2306061176C00086328888189
1-methylgalactose NIST-ME2306942108-664807204
capric acidCapric acidME2306762969C01571452386229
lauric acidLauric acidME2306443893C02679547906117
stearic acidStearic acidME2306145281C01530787622117
riboseRiboseME2306195779C00121553135217
sorbitolSorbitolME2306165780C00794667922217
alanineAlanineME2306825950C00041243971116
serineSerineME2306185951C00065395020218
aspartic acidAspartic acidME2306805960C00049480387232
glutamineGlutamineME2306635961C00064600000156
lysineLysineME2306405962C00047663483156
sucroseSucroseME2306125988C00089915139271
tyrosineTyrosineME2306076057C00082671252218
leucineLeucineME2306436106C00123346101158
phenylalaninePhenylalanineME2306266140C00079537804218
valineValineME2306046287C00183313502144
threonineThreonineME2306096288C00188409568218
tryptophanTryptophanME2306086305C00078780482202
isoleucineIsoleucineME2306486306C00407359251158
2-aminobutyric acid2-Aminobutyric acidME2306926657C02721285825130
xylitolXylitolME2306036912C00379567437217
oxoprolineOxoprolineME2306307405C01879485935156
pelargonic acidPelargonic acidME2306288158C01601399229117
dodecanolDodecanolME2306698193C02277507619243
octadecanolStearyl alcoholME2306338221-755409327
shikimic acidShikimic acidME2306178742C00493611100204
4-hydroxybutyric acid4-Hydroxybutyric acidME23068310413C00989325027233
heptadecanoic acidMargaric acidME23065610465-751309117
arachidic acidArachidic acidME23068110467C06425856421117
maleimideMaleimideME23063810935C07272245118154
myristic acidMyristic acidME23063511005C06424634414285
hexadecaneHexadecaneME23065511006-52596485
lignoceric acidLignoceric acidME23064111197C08320978597132
butyrolactam NIST2-PyrrolidinoneME23067712025-277199142
pentadecanoic acidPentadecylic acidME23062713849C16537674647117
pseudo uridinePseudouridineME23062315047C02067813899217
2-deoxyerythritol2-DeoxyerythritolME23069118302-354388117
mannoseMannoseME23063718950C00159645856205
glucoseGlucoseME23066464689C00221659798319
3-aminoisobutyric acid3-Aminoisobutanoic acidME23068664956C05145452655248
3-hydroxypropionic acidHydroxypropionic acidME23068468152C01013269265177
isobutene glycol NISTIsobutene glycolME23065068410-229353129
3-hydroxybutyric acid3-Hydroxybutyric acidME23068592135C01089278632191
2-hydroxyvaleric acid2-Hydroxyvaleric acidME23068798009-309587131
1-monoheptadecanoyl glyceride NIST-ME230693107036-930489385
xyloseXyloseME230602135191C00181543267103
2-deoxytetronic acid3,4-Dihydroxybutyric acidME230689150929-433456189
isothreonic acidD-Threonic acidME230646151152C00639489385292
hexuronic acidHexuronic acidME230653152867-667373160
threitolThreitolME230611169019C16884467595217
erythritolErythritolME230668222285C00503471922217
2-deoxypentitol NIST2-Deoxy-D-ribitolME230690249377-521785231
deoxypentitol1-Deoxy-D-ribitolME230670270738-528774231
glyceric acidGlyceric acidME230662439194C00258377495189
xylulose NISTXyluloseME230601439205C00312553450173
lyxitolL-ArabitolME230639439255C00532573587217
N-acetylmannosamineN-Acetyl-mannosamineME230634439281C00645735323319
fucoseFucoseME230666439650C02095578299160
2-hydroxybutanoic acid2-Hydroxybutyric acidME230688440864C05984258161131
oleic acidOleic acidME230632445639C00712779120339
squaleneSqualeneME230615638072C0075197623795
levoglucosanGlucosanME2306422724705-569637204
isocitric acidIsocitric acidME2306495318532C00451617338245
threonic acidThreonic acidME2306105460407C01620497572292
ribonic acidRibonic acidME2306205460677C01685599680292
gluconic acidGluconic acidME2306656857417C00800693148333
conduritol-beta-epoxideConduritol epoxideME2306729989541-675635318
isoriboseD-RibopyranoseME23064710975657-558730217
glycerol-3-galactosideGalactosylglycerolME23066016048618C05401805227204
hydroxycarbamate NISTHydroxycarbamic acidME23065216639161-325318278
ornithineOrnithineME23063188747248C00077619196142


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