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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
1,5-anhydroglucitol1,5-AnhydrosorbitolME61954664960C07326632918217
1-hexadecanolCetyl alcoholME6195452682C00823679596299
1-monooleinMG 18:1(9Z)/0:0/0:0ME6195445283468.952623129
1-monopalmitinMG 16:0/0:0/0:0ME61954314900C01885901749371
1-monostearinMG 18:0/0:0/0:0ME61954224699D01947959214203
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME61954123368901.397526241
2,6-diaminopimelic acid2,6-Diaminopimelic acidME619540865.686035200
2,8-dihydroxyquinolineQuinoline-2,8-diolME61953997250C06342626989290
2-aminobutyric acid2-Aminobutyric acidME6195386657C02721285825130
2'-deoxyguanosineDeoxyguanosineME619537187790C00330959764280
2-deoxypentitol2-Deoxy-D-ribitolME619536249377.521785231
2-deoxytetronic acid3,4-Dihydroxybutyric acidME619535150929.433456189
2-hydroxy-2-methylbutanoic acid2-Hydroxy-2-methyl-butyric acidME61953495433.264833145
2-hydroxybutanoic acid2-Hydroxybutyric acidME619533440864C05984258161131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME61953243C02630506306247
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME61953199824.323093159
2-hydroxyvaleric acid2-Hydroxyvaleric acidME61953098009.309587131
2-ketoadipic acidOxoadipic acidME61952971C0032232404889
2-ketobutyric acid3-Methyl pyruvic acidME61952858C0010924311689
2-ketoglucose dimethylacetalD-GlucosoneME619527159630.456913234
2-ketoisocaproic acidKetoleucineME61952670C0023331076189
2-ketoisovaleric acidKetoisovaleric acidME61952549C0014126317789
2-methylglyceric acid2,3-Dihydroxyisobutyric acidME619524560781.377962219
2-monooleinMG 0:0/18:1(9Z)/0:0ME6195235319879.941794129
2-monopalmitinMG 0:0/16:0/0:0ME619522123409.890356129
2-picolinic acidPicolinic acidME6195211018C10164381532180
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME61952010394C01744598147179
3-aminoisobutyric acid3-Aminoisobutanoic acidME61951964956C05145452655248
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME6195181662C03761521554247
3-hydroxybutyric acid3-Hydroxybutyric acidME61951792135C01089278829191
3-hydroxypalmitic acid3R-Hydroxypalmitic acidME61951615569776.774930233
3-hydroxypropionic acidHydroxypropionic acidME61951568152C01013269265177
3-phenyllactic acidPhenyllactic acidME6195143848.516011193
3-phosphoglycerate3-Phosphoglyceric acidME619513724C00597610734227
3-ureidopropionateUreidopropionic acidME619512111C02642554966161
4-aminobutyric acid4-Aminopentanoic acidME619511119C00334488730304
4-hydroxybutyric acid4-Hydroxybutyric acidME61951010413C00989325027233
4-hydroxycinnamic acidcis-p-Coumaric acidME619509637542C00811674616219
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME619508127C00642542795179
5,6-dihydrouracilDihydrouracilME619507-.470116243
5-aminovaleric acid5-Aminopentanoic acidME619506138C00431555805174
5-hydroxynorvaline-ME61950595562.494077142
5-methoxytryptamine5-MethoxytryptamineME6195041833C05659857675174
9-myristoleateMyristoleic acidME619503-.630100117
aconitic acidcis-Aconitic acidME619502643757C00417586815229
adenineAdenineME619501190C00147646701264
adenosineAdenosineME61950060961C00212918039236
adenosine-5-monophosphateAMPME6194996083C000201038688169
adipic acidAdipic acidME619498196C06104474435111
alanineAlanineME6194975950C00041243971116
alanine-alanineAla-AlaME6194965484352C00993522546116
allantoic acidAllantoic acidME619495203C00499726050259
alpha-aminoadipic acidalpha-Aminoadipic acidME61949492136C00956573295260
alpha-ketoglutarate2-Oxoglutaric acidME61949351C00026507392198
aminomalonateAminomalonic acidME619492100714C00872455754218
arachidic acidArachidic acidME61949110467C06425856421117
arachidonic acidArachidonic acidME619490444899C0021983433991
asparagineAsparagineME6194896267C00152553743231
aspartic acidAspartic acidME6194885960C00049480387232
behenic acidBehenic acidME6194878215C08281920648117
benzoic acidBenzoic acidME619486243C00180339067179
beta-alaninebeta-AlanineME619485239C00099435564248
beta-gentiobiosebeta-GentiobioseME619484441422C08240974676204
beta-glutamic acidIsoglutamic acidME61948373064C05574525547232
beta-glycerolphosphatesn-Glycero-2-phosphateME6194822526C02979574470243
beta-sitosterolSitosterolME619481222284C017531128225129
butyrolactam2-PyrrolidinoneME61948012025.277199142
catecholPyrocatecholME619479289C00090376695254
cellobioseCellobioseME6194786255C01971932179204
cerotinic acidCerotic acidME61947710469.1033286145
cholesterolCholesterolME6194765997C001871078536129
cholesteroneCholestenoneME61947591477C005991095940456
cholic acidCholic acidME619474221493C054631109517253
ciliatineCiliatineME619473339C03557588335398
cis-gondoic acidcis-Gondoic acidME6194725282768C16526847372367
citramalic acidCitramalic acidME6194711081C00815456203247
citric acidCitric acidME619470311C00158617342273
citrullineCitrullineME6194699750C00327621404157
conduritol-beta-epoxideConduritol epoxideME6194689989541.675635318
creatinineCreatinineME619467588C00791502599115
cysteineCysteineME6194665862C00097500158220
cysteine-glycineCys-GlyME619465439498C01419715335220
cystineCystineME619464595C01420804619218
cytidineCytidineME619463-.934269223
cytosinCytosineME619462597C00380486724254
dehydroabietic acidDehydroabietic acidME61946194391C12078849349239
deoxycholic acidDeoxycholic acidME619460222528C044831106875255
D-erythro-sphingosineSphingosineME6194595280335C00319859500204
dihydroxyacetoneDihydroxyacetoneME619458670C0018433212089
docosahexaenoic acidDocosahexaenoic acidME619457445580C0642990281991
elaidic acidElaidic acidME619456637517C01712784781129
epsilon-caprolactamEpsilon-caprolactamME6194557768C06593353069170
erythritolErythritolME619454222285C00503471922217
erythroseErythroseME619453439574C01796443306205
ethanolamineEthanolamineME619451700C00189344719174
ethanol phosphateEthylphosphateME61945274190.317291211
fructoseFructoseME619450439709C02336639442307
fructose-1-phosphateFructose 1-phosphateME619449439394C01094803180387
fructose-6-phosphateFructose 6-phosphateME619448440641C05345804750315
fucoseFucoseME619447439650C02095578299160
fumaric acidFumaric acidME619446444972C00122390775245
galactinolGalactinolME61944511727586C012351017580204
galactose-6-phosphateGalactose 6-phosphateME619444439404C01113828102387
gluconic acidGluconic acidME6194436857417C00800693148333
glucoseGlucoseME61944264689C00221659798319
glucose-1-phosphateGlucose 1-phosphateME61944165533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME6194405958C00092818275387
glutamic acidGlutamic acidME61943933032C00025529100246
glutamineGlutamineME6194385961C00064600315156
glutaric acidGlutaric acidME619437743C00489421596261
glyceric acidGlyceric acidME619436439194C00258377495189
glycerolGlycerolME619435753C00116344466205
glycerol-3-galactosideGalactosylglycerolME61943416048618C05401800205204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME619433754C03189590747357
glycineGlycineME619432750C00037368707248
glycocyamineGuanidoacetic acidME619431763C00581511016171
glycolic acidGlycolic acidME619430757C00160227636177
glycyl-prolineGly-ProME6194283013625.691662174
glycyl tyrosineGly-TyrME61942992829.922071174
guanineGuanineME619427764C00242744307352
guanosineGuanosineME6194266802C00387957445324
heptadecanoic acidMargaric acidME61942510465.751309117
hippuric acidHippuric acidME619424464C01586637236206
histidineHistidineME6194236274C00135663102154
homoserineHomoserineME61942212647C00263443878218
hydrocinnamic acidHydrocinnamic acidME619421107C05629434422104
hydroxycarbamateHydroxycarbamic acidME61942016639161.325318278
hypoxanthineHypoxanthineME619419790C00262619128265
ile-ileIle-IleME619418-.677904158
indole-3-acetateIndoleacetic acidME619417802C00954684929202
indole-3-lactateIndolelactic acidME619416-.764079202
indole-3-propionic acid3-Indolepropionic acidME6194153744.732249202
indoxyl sulfateIndoxyl sulfateME61941410258.577333277
inosineInosineME6194136021C00294897434230
inositol-4-monophosphateInositol 4-phosphateME619412440043C03546845976315
isocitric acidIsocitric acidME6194115318532C00451617338245
isoheptadecanoic acid15-Methylpalmitic acidME619410164860.737927117
isoleucineIsoleucineME6194096306C00407359251158
isolinoleic acid-ME6194085312483.794629156
isopentadecanoic acidIsopentadecylic acidME619407151014.663518117
isoriboseD-RibopyranoseME61940610975657.558730217
isothreonic acidD-Threonic acidME619405151152C00639489385292
itaconic acidItaconic acidME619404811C00490386511147
kynurenineKynurenineME61940325245862C01718769709218
lactamideLactamideME61940294220.265698232
lactic acidLactic acidME619401612C01432217657191
lactitolLactitolME619400157355C13542959541361
lactobionic acidLactobionic acidME6193997314C04247972139204
lactoseLactoseME6193986134C01970936998204
lanosterolLanosterolME619397246983C017241129573393
lauric acidLauric acidME6193963893C02679547906117
leucineLeucineME6193956106C00123345845158
lignoceric acidLignoceric acidME61939411197C08320978597132
linoleic acidLinoleic acidME6193935280450C01595777414150
lithocholic acidLithocholic acidME6193929903C039901104161215
lysineLysineME6193915962C00047663483317
lyxitolL-ArabitolME619390439255C00532573587217
lyxoseLyxoseME619389439240C00476541086217
maleimideMaleimideME61938810935C07272245118154
malic acidMalic acidME619387525C00711463180233
malonic acidMalonic acidME619386867C00383305372233
maltoseMaltoseME619385439186C00208946601204
maltotrioseMaltotrioseME619384439586C018351176044361
mannoseMannoseME61938318950C00159645856205
mannose-6-phosphateMannose 6-phosphateME61938265127C00275822643387
melibioseMelibioseME619381440658C05402988497361
methanolphosphateMethanolphosphateME61938013130.289520241
methionineMethionineME6193796137C00073483560176
methionine sulfoxideMethionine sulfoxideME619378158980C02989637588128
methylmaleic acidCitraconic acidME619377643798C02226418804259
Mevalonic acidMevalonic acidME619376-.498785247
myo-inositolMyo-inositolME619375892C00137730022305
myristic acidMyristic acidME61937411005C06424634414285
N-acetylaspartic acidN-Acetylaspartic acidME61937365065C01042548028158
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME619372440552C05021720730319
N-acetylglycineN-AcetylglycineME61937110972.356109174
N-acetylmannosamineN-Acetyl-mannosamineME619370439281C00645735323319
N-acetylornithineN-AcetylornithineME619369439232C00437682693174
N-carbamoylaspartateN-Carbamoylaspartic acidME61936893072C00438611345257
n-epsilon-trimethyllysineN-6-TrimethyllysineME619367440121.512366118
nicotinamideNiacinamideME619366936C00153471602179
nicotinic acidNicotinic acidME619365938C00253366992180
nonadecanoic acidNonadecylic acidME61936412591C16535822782117
norvalineNorvalineME61936365098C01826326715144
O-acetylserineO-AcetylserineME61936299478C00979414914174
octadecanolStearyl alcoholME6193618221.755409327
octadecylglycerolMG O-18:0ME6193603681C13858928878205
oleamideOleamideME6193595283387C19670849710144
oleic acidOleic acidME619358445639C00712781527339
O-phosphoserineDL-O-PhosphoserineME61935757689797C01005624355356
ornithineOrnithineME6193566262C00077527113142
orotic acidOrotic acidME619355967C00295586317254
oxalic acidOxalic acidME619354971C00209260513190
oxoprolineOxoprolineME6193537405C01879485935156
palmitic acidPalmitic acidME619352985C00249713809313
palmitoleic acidPalmitoleic acidME619351445638C08362706508311
pantothenic acidPantothenic acidME6193506613C12276690887291
parabanic acidParabanic acidME61934967126C00802464991100
pentadecanoic acidPentadecylic acidME61934813849C16537674647117
pentitolArabitolME619347827D00061563801307
phenaceturic acidPhenylacetylglycineME61934668144C0559865435191
phenylacetic acidPhenylacetic acidME619345999C07086368081164
phenylalaninePhenylalanineME6193446140C00079537804192
phenylethylaminePhenylethylamineME6193431001C05332510327174
phosphatePhosphoric acidME6193421004C00009348274314
phosphoenolpyruvatePhosphoenolpyruvic acidME61934158114173C00074518184211
phosphoethanolaminePhosphoethanolamineME6193401015C00346604335299
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME6193399378C03672654036308
phytanic acidPhytanic acidME61933810380830.770604159
pimelic acidPimelic acidME619337385C02656523205155
pipecolinic acidPipecolic acidME6193366931662.404121156
piperidone2-PiperidinoneME61933512665.275603156
prolineProlineME619334145742C00148364716142
pseudo uridinePseudouridineME61933315047C02067813899217
p-tolyl glucuronideP-Cresol glucuronideME619332154035.847531180
putrescinePutrescineME6193311045C00138588119174
pyrophosphatePyrophosphateME6193301023C00013327517110
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME61932912473C05942394886240
pyruvic acidPyruvic acidME6193281060C00022211668174
quinolinic acidQuinolinic acidME6193271066C03722581638296
ribitolRibitolME619326827C00474575497217
ribonic acidRibonic acidME6193255460677C01685597646292
riboseRiboseME6193245779C00121553135217
ribose-5-phosphateRibose 5-phosphateME619323439167C00117731837315
ribulose-5-phosphateRibulose 5-phosphateME619322439184C00199735908357
saccharic acidGlucaric acidME61932133037C00818699211333
sarcosineSarcosineME6193207311726C00213266344116
serineSerineME6193195951C00065395020204
serotoninSerotoninME6193185202C00780863824174
shikimic acidShikimic acidME6193178742C00493611100204
sophoroseSophoroseME619316441432C08250962064307
sorbitolSorbitolME6193155780C00794667922217
spermidineSpermidineME6193141102C00315792924144
squaleneSqualeneME619313638072C0075197623795
stearic acidStearic acidME6193125281C01530787622117
succinate semialdehydeSuccinic acid semialdehydeME6193111112C00232297024113
succinic acidSuccinic acidME6193101110C00042370608247
sucroseSucroseME6193095988C00089915139271
tagatoseD-TagatoseME619308439312C00795631835307
taurineTaurineME6193071123C00245556690326
threitolThreitolME619306169019C16884467595217
threonic acidThreonic acidME6193055460407C01620497572292
threonineThreonineME6193046288C00188409568218
thymidineThymidineME6193035789C00214349402170
thymineThymineME6193021135C00178420133255
tocopherol alpha-alpha-TocopherolME619301638015C003761066526237
trans-4-hydroxyprolinetrans-4-HydroxyprolineME6193005810C01157484934140
trehaloseTrehaloseME6192997427C01083948197191
tryptophanTryptophanME6192986305C00078774603130
tryptopholTryptophanolME619297-.657957202
tyrosineTyrosineME6192966057C00082671252218
tyrosolTyrosolME61929510393C06044510842179
UDP GlcNAcUDP-N-acetylglucosamineME619294445675C00043627437226
undecanoic acidUndecylic acidME6192938180C17715500757117
uracilUracilME6192921174C00106385735241
ureaUreaME6192911176C00086328888189
uric acidUric acidME6192901175C00366731038441
uridineUridineME6192896029C00299861508217
urocanic acidUrocanic acidME619288736715C00785699866267
valineValineME6192876287C00183313502144
xanthineXanthineME6192861188C00385701688353
xanthosineXanthosineME61928564959C01762926133325
xylitolXylitolME6192846912C00379567437217
xyloseXyloseME619283135191C00181544100103
xyluloseXyluloseME619282439205C00312553450173


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