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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
3-aminoisobutyric acid3-Aminoisobutanoic acidME13666364956C05145309837102
adipic acidAdipic acidME136656196C06104474435111
creatinineCreatinineME136637588C00791502599115
alanineAlanineME1366555950C00041243971116
arachidic acidArachidic acidME13665210467C06425856421117
behenic acidBehenic acidME1366478215C08281920648117
heptadecanoic acidMargaric acidME13660610465-751309117
lauric acidLauric acidME1365883893C02679547840117
myristic acidMyristic acidME13657511005C06424634414117
pelargonic acidPelargonic acidME1365578158C01601399229117
stearic acidStearic acidME1365405281C01530787622117
1-monopalmitinMG 16:0/0:0/0:0ME13667014900C01885901749129
1-monostearinMG 18:0/0:0/0:0ME13666924699D01947959214129
cholesterolCholesterolME1366395997C001871078536129
N-acetylmannosamineN-Acetyl-mannosamineME136571439281C00645722897129
N-methylalanineN-MethylalanineME1365705288725C02721288133130
2-hydroxybutanoic acid2-Hydroxybutyric acidME136667440864C05984258161131
ornithineOrnithineME1365646262C00077619548142
prolineProlineME136551145742C00148364716142
oleamide NISTOleamideME1365665283387C19670849710144
valineValineME1365216287C00183313502144
hydroxylamineHydroxylamineME136600787C00192255241146
linoleic acidLinoleic acidME1365855280450C01595777414150
histidineHistidineME1366026274C00135664395154
glutamineGlutamineME1366145961C00064600315156
lysineLysineME1365845962C00047663483156
oxoprolineOxoprolineME1365627405C01879485935156
pipecolinic acidPipecolic acidME136552736316-404121156
isoleucineIsoleucineME1365956306C00407359251158
leucineLeucineME1365876106C00123346101158
N-acetylaspartic acidN-Acetylaspartic acidME13657365065C01042548028158
N-acetylglutamateN-Acetylglutamic acidME13657270914C00624477776158
hexuronic acidHexuronic acidME136603152867-667373160
p-cresolP-CresolME1365612879C01468280360165
inosine-5'-monophosphateIMPME1365978582C001301018687169
uridine-5-monophosphateUMPME1365226030C00105977896169
epsilon-caprolactamEpsilon-caprolactamME1366287768C06593353069170
dehydroascorbic acidL-Dehydroascorbic acidME136631440667C05422633423173
xylulose NISTXyluloseME136517439205C00312553450173
ethanolamineEthanolamineME136625700C00189344719174
phenylethylaminePhenylethylamineME1365551001C05332510327174
putrescinePutrescineME1365501049C00138588119174
methionineMethionineME1365776137C00073483560176
glycolic acidGlycolic acidME136608757C00160227636177
benzoic acidBenzoic acidME136646243C00180339067179
nicotinamideNiacinamideME136569936C00153469827179
octanol NISTn-OctanolME136567--247010187
asparagineAsparagineME1366496267C00152553078188
glyceric acidGlyceric acidME136612439194C00258377495189
ureaUreaME1365251176C00086326574189
oxalic acidOxalic acidME136563971C00209260513190
3-hydroxybutyric acid3-Hydroxybutyric acidME13666292135C01089278829191
lactic acidLactic acidME136591612C01432217657191
alpha-ketoglutarate2-Oxoglutaric acidME13665451C00026507392198
dodecanoic acid, isopropanol ester NIST-ME136630--536494200
tryptophanTryptophanME1365316305C00078780482202
cellobioseCellobioseME1366416255C01971932179204
isomaltoseIsomaltoseME136594439193C00252993307204
lactobionic acidLactobionic acidME1365907314C04247972139204
lactuloseLactuloseME13658911333C07064929908204
levoglucosanGlucosanME1365862724705-569637204
maltoseMaltoseME136581439186C00208946601204
glycerolGlycerolME136611753C00116344466205
mannoseMannoseME13657918950C00159645856205
cholestan-3-olEpi-cholestanolME13664066066C129781082070215
1,5-anhydroglucitol1,5-AnhydrosorbitolME13666864960C07326633969217
erythritolErythritolME136627222285C00503471922217
glucose-1-phosphateGlucose 1-phosphateME13661765533C00103594647217
hexitolSorbitolME136605453C00392704741217
lyxitolL-ArabitolME136583439255C00532573587217
ribitolRibitolME136547827C00474575497217
riboseRiboseME1365465779C00121553135217
UDP-glucuronic acidUDP-glucuronic acidME13652817473C00167587601217
uridineUridineME1365236029C00299861508217
xylitolXylitolME1365186912C00379567437217
aminomalonateAminomalonic acidME136653100714C00872455754218
cystineCystineME136634595C01420804619218
phenylalaninePhenylalanineME1365566140C00079537804218
serineSerineME1365425951C00065395020218
threonineThreonineME1365346288C00188409568218
tyrosineTyrosineME1365306057C00082671252218
cysteineCysteineME1366365862C00097500158220
cysteine-glycineCys-GlyME136635439498C01419715335220
gluconic acid lactoneGluconolactoneME1366197027C00198645815220
tocopherol gamma-gamma-TocopherolME13653292729C024831026121223
UDP GlcNAcUDP-N-acetylglucosamineME136529445675C00043627437226
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME136527445675C00043625003226
3-phosphoglycerate3-Phosphoglyceric acidME136661724C00597610734227
capric acidCapric acidME1366422969C01571452386229
inosineInosineME1365986021C00294897434230
aspartic acidAspartic acidME1366485960C00049480387232
lactamideLactamideME13659294220-265698232
malic acidMalic acidME136582525C00711463180233
adenosineAdenosineME13665860961C00212918039236
tocopherol alpha-alpha-TocopherolME136533638015C003761066526237
dehydroabietic acidDehydroabietic acidME13663294391C12078850374239
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME13667123368901-397526241
methanolphosphateMethanolphosphateME13657813130-289520241
uracilUracilME1365261174C00106385735241
beta-glycerolphosphatesn-Glycero-2-phosphateME1366442526C02979574470243
cytidine-5-monophosphateCMPME136633--700635243
dodecanolDodecanolME1366298193C02277507619243
fumaric acidFumaric acidME136622444972C00122390016245
glutamic acidGlutamic acidME13661533032C00025529100246
2-hydroxyglutaric acid2-Hydroxyglutaric acidME13666643C02630506306247
erythronic acid lactoneErythrono-1,4-lactoneME1366265325915C02341407495247
succinic acidSuccinic acidME1365391110C00042370608247
beta-alaninebeta-AlanineME136645239C00099435564248
glycineGlycineME136609750C00037368707248
glutaric acidGlutaric acidME136613743C00489421260261
adenineAdenineME136659190C00147646534264
hypoxanthineHypoxanthineME136599790C00262619128265
2,4-hexadienedioic acid NIST-ME1366645280518C02480550289271
sucroseSucroseME1365385988C00089915139271
citric acidCitric acidME136638311C00158617342273
hydroxycarbamate NISTHydroxycarbamic acidME13660116639161-325948278
pantothenic acidPantothenic acidME1365586613C12276690887291
galactonic acidGalactonic acidME136621128869C00880690882292
isothreonic acidD-Threonic acidME136593151152C00639489385292
threonic acidThreonic acidME1365355460407C01620497572292
4-hydroxyhippuric acid NIST4-Hydroxyhippuric acidME136660151012-784581294
bisphosphoglycerol NIST-ME136643102018-764660299
phosphoethanolaminePhosphoethanolamineME1365531015C00346603912299
myo-inositolMyo-inositolME136576892C00137730022305
fructoseFructoseME136624439709C02336639442307
tagatoseD-TagatoseME136537439312C00795636627307
palmitoleic acidPalmitoleic acidME136559445638C08362704511311
palmitic acidPalmitic acidME136560985C00249713809313
phosphatePhosphoric acidME1365541004C00009345365314
adenosine-5-monophosphateAMPME1366576083C000201041375315
fructose-6-phosphateFructose 6-phosphateME136623440641C05345804279315
inositol-4-monophosphateInositol 4-phosphateME136596440043C03546845976315
ribose-5-phosphateRibose 5-phosphateME136545439167C00117731837315
glucoseGlucoseME13661864689C00221659798319
N-acetyl-D-hexosamineN-AcetylhexosamineME13657424139C03878746341319
guanosineGuanosineME1366076802C00387954962324
xanthosineXanthosineME13651964959C01762926133325
taurineTaurineME1365361123C00245556690326
octadecanolStearyl alcoholME1365688221-755409327
ascorbic acidVitamin CME13665054670067C00072672898332
gluconic acidGluconic acidME1366206857417C00800693148333
saccharic acidGlucaric acidME13654333037C00818699211333
oleic acidOleic acidME136565445639C00712779120339
xanthineXanthineME1365201188C00385701688353
glycerol-alpha-phosphatesn-Glycero-3-phosphateME136610754C03189590747357
ribulose-5-phosphateRibulose 5-phosphateME136544439184C00199735908357
maltotrioseMaltotrioseME136580439586C018351176972361
raffinoseRaffinoseME136548439242C004921120886361
glucose-6-phosphateGlucose 6-phosphateME1366165958C00092818275387
hexose-6-phosphateHexose 6-phosphateME136604208C02965806282387
uric acidUric acidME1365241175C00366730691441
pyrophosphatePyrophosphateME1365491023C00013547021451
2-ketoisocaproic acidKetoleucineME13666570C0023331076189
arachidonic acidArachidonic acidME136651444899C0021983433991
squaleneSqualeneME136541638072C0075197623795


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