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


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