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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
phosphatePhosphoric acidME4422731004C00009-314
alpha-ketoglutarate2-Oxoglutaric acidME44232251C00026-198
glycineGlycineME442298750C00037-248
alanineAlanineME4423235950C00041-116
succinic acidSuccinic acidME4422621110C00042-247
lysineLysineME4422855962C00047-156
ascorbic acidVitamin CME44232154670067C00072-332
tryptophanTryptophanME4422556305C00078-202
tyrosineTyrosineME4422546057C00082-218
ureaUreaME4422511176C00086-189
sucroseSucroseME4422615988C00089-271
catecholPyrocatecholME442319289C00090-254
uracilUracilME4422521174C00106-241
glycerolGlycerolME442301753C00116-205
riboseRiboseME4422655779C00121-217
fumaric acidFumaric acidME442308444972C00122-245
myo-inositolMyo-inositolME442282892C00137-305
phenolPhenolME442274996C00146-151
4-hydroxybenzoate4-Hydroxybenzoic acidME442329135C00156-223
citric acidCitric acidME442318311C00158-273
glycolic acidGlycolic acidME442297757C00160-177
UDP-glucuronic acidUDP-glucuronic acidME44225317473C00167-217
benzoic acidBenzoic acidME442320243C00180-179
xyloseXyloseME442247135191C00181-103
threonineThreonineME4422566288C00188-218
gluconic acid lactoneGluconolactoneME4423047027C00198-220
oxalic acidOxalic acidME442277971C00209-190
glucoseGlucoseME44230364689C00221-319
glyceric acidGlyceric acidME442302439194C00258-189
hypoxanthineHypoxanthineME442293790C00262-265
quinic acidQuinic acidME4422686508C00296-345
xylulose NISTXyluloseME442246439205C00312-173
uric acidUric acidME4422501175C00366-441
xylitolXylitolME4422486912C00379-217
xanthineXanthineME4422491188C00385-353
hexitolSorbitolME442296453C00392-217
aconitic acidcis-Aconitic acidME442325643757C00417-229
isocitric acidIsocitric acidME4422905318532C00451-245
ribitolRibitolME442267827C00474-217
erythritolErythritolME442312222285C00503-217
lyxitolL-ArabitolME442284439255C00532-217
isothreonic acidD-Threonic acidME442288151152C00639-292
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME442327127C00642-179
N-acetylmannosamineN-Acetyl-mannosamineME442279439281C00645-319
malic acidMalic acidME442283525C00711-233
creatinineCreatinineME442316588C00791-115
sorbitolSorbitolME4422635780C00794-217
tagatoseD-TagatoseME442260439312C00795-307
gluconic acidGluconic acidME4423056857417C00800-333
saccharic acidGlucaric acidME44226433037C00818-333
galactonic acidGalactonic acidME442307128869C00880-292
tartaric acidTartaric acidME442259444305C00898-292
indole-3-acetateIndoleacetic acidME442292802C00954-202
galactoseGalactoseME442306439357C00984-319
N-acetylaspartic acidN-Acetylaspartic acidME44228165065C01042-158
pyrogallol1,2,3-TrihydroxybenzeneME4422691057C01108-239
lactic acidLactic acidME442287612C01432-191
p-cresolP-CresolME4422752879C01468-165
threonic acidThreonic acidME4422575460407C01620-292
ribonic acidRibonic acidME4422665460677C01685-292
oxoprolineOxoprolineME4422767405C01879-156
pseudo uridinePseudouridineME44227115047C02067-217
fucoseFucoseME442309439650C02095-160
fructoseFructoseME442310439709C02336-307
erythronic acid lactoneErythrono-1,4-lactoneME4423115325915C02341-247
2-hydroxyglutaric acid2-Hydroxyglutaric acidME44233443C02630-247
glycerol-alpha-phosphatesn-Glycero-3-phosphateME442299754C03189-357
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME4423311662C03761-247
pinitolPinitolME442272164619C03844-260
n-acetyl-d-hexosamineN-AcetylhexosamineME44228024139C03878-319
glycerol-3-galactosideGalactosylglycerolME44230016048618C05401-204
dehydroascorbic acidL-Dehydroascorbic acidME442315440667C05422-303
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME44233012122C05593-164
5-hydroxy-3-indoleacetic acid5-Hydroxyindoleacetic acidME4423261826C05635-290
N-carbamylglutamateCarglumic acidME442278121396C05829-257
adipic acidAdipic acidME442324196C06104-111
3,4-dihydroxyhydrocinnamic acid NIST3,4-Dihydroxyhydrocinnamic acidME442332348154C10447-179
threitolThreitolME442258169019C16884-217
1,2-anhydro-myo-inositol NIST1,2-Anhydro-myo-inositolME442337119054--318
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME442336250402--292
2-deoxytetronic acid3,4-Dihydroxybutyric acidME442335150929--189
3-(3-hydroxyphenyl)-3-hydroxypropionic acid nist3-(3-Hydroxyphenyl)-3-hydroxypropanoic acidME442333102959--267
4-hydroxyhippuric acid NIST4-Hydroxyhippuric acidME442328151012--294
conduritol-beta-epoxideConduritol epoxideME4423179989541--318
deoxypentitol1-Deoxy-D-ribitolME442314270738--231
diglycerolDiglycerolME44231342953--103
hexuronic acidHexuronic acidME442295---333
hydroxyproline dipeptide NIST-ME44229461159526--156
indoxyl sulfateIndoxyl sulfateME44229110258--277
isohexonic acid-ME442289604--333
levoglucosanGlucosanME4422862724705--204
p-tolyl glucuronideP-Cresol glucuronideME442270154035--180


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