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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-AnhydrosorbitolME77588264960C07326632918217
1-hexadecanolCetyl alcoholME7758812682C00823679596299
1-monooleinMG 18:1(9Z)/0:0/0:0ME7758805283468.952623129
1-monopalmitinMG 16:0/0:0/0:0ME77587914900C01885901749371
1-monostearinMG 18:0/0:0/0:0ME77587824699D01947959214203
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME77587723368901.397526241
2,6-diaminopimelic acid2,6-Diaminopimelic acidME775876865.686035200
2,8-dihydroxyquinolineQuinoline-2,8-diolME77587597250C06342626989290
2-aminobutyric acid2-Aminobutyric acidME7758746657C02721285825130
2'-deoxyguanosineDeoxyguanosineME775873187790C00330959764280
2-deoxypentitol2-Deoxy-D-ribitolME775872249377.521785231
2-deoxytetronic acid3,4-Dihydroxybutyric acidME775871150929.433456189
2-hydroxy-2-methylbutanoic acid2-Hydroxy-2-methyl-butyric acidME77587095433.264833145
2-hydroxybutanoic acid2-Hydroxybutyric acidME775869440864C05984258161131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME77586843C02630506306247
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME77586799824.323093159
2-hydroxyvaleric acid2-Hydroxyvaleric acidME77586698009.309587131
2-ketoadipic acidOxoadipic acidME77586571C0032232404889
2-ketobutyric acid3-Methyl pyruvic acidME77586458C0010924311689
2-ketoglucose dimethylacetalD-GlucosoneME775863159630.456913234
2-ketoisocaproic acidKetoleucineME77586270C0023331076189
2-ketoisovaleric acidKetoisovaleric acidME77586149C0014126317789
2-methylglyceric acid2,3-Dihydroxyisobutyric acidME775860560781.377962219
2-monooleinMG 0:0/18:1(9Z)/0:0ME7758595319879.941794129
2-monopalmitinMG 0:0/16:0/0:0ME775858123409.890356129
2-picolinic acidPicolinic acidME7758571018C10164381532180
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME77585610394C01744598147179
3-aminoisobutyric acid3-Aminoisobutanoic acidME77585564956C05145452655248
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME7758541662C03761521554247
3-hydroxybutyric acid3-Hydroxybutyric acidME77585392135C01089278829191
3-hydroxypalmitic acid3R-Hydroxypalmitic acidME77585215569776.774930233
3-hydroxypropionic acidHydroxypropionic acidME77585168152C01013269265177
3-phenyllactic acidPhenyllactic acidME7758503848.516011193
3-phosphoglycerate3-Phosphoglyceric acidME775849724C00597610734227
3-ureidopropionateUreidopropionic acidME775848111C02642554966161
4-aminobutyric acid4-Aminopentanoic acidME775847119C00334488730304
4-hydroxybutyric acid4-Hydroxybutyric acidME77584610413C00989325027233
4-hydroxycinnamic acidcis-p-Coumaric acidME775845637542C00811674616219
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME775844127C00642542795179
5,6-dihydrouracilDihydrouracilME775843-.470116243
5-aminovaleric acid5-Aminopentanoic acidME775842138C00431555805174
5-hydroxynorvaline-ME77584195562.494077142
5-methoxytryptamine5-MethoxytryptamineME7758401833C05659857675174
9-myristoleateMyristoleic acidME775839-.630100117
aconitic acidcis-Aconitic acidME775838643757C00417586815229
adenineAdenineME775837190C00147646701264
adenosineAdenosineME77583660961C00212918039236
adenosine-5-monophosphateAMPME7758356083C000201038688169
adipic acidAdipic acidME775834196C06104474435111
alanineAlanineME7758335950C00041243971116
alanine-alanineAla-AlaME7758325484352C00993522546116
allantoic acidAllantoic acidME775831203C00499726050259
alpha-aminoadipic acidalpha-Aminoadipic acidME77583092136C00956573295260
alpha-ketoglutarate2-Oxoglutaric acidME77582951C00026507392198
aminomalonateAminomalonic acidME775828100714C00872455754218
arachidic acidArachidic acidME77582710467C06425856421117
arachidonic acidArachidonic acidME775826444899C0021983433991
asparagineAsparagineME7758256267C00152553743231
aspartic acidAspartic acidME7758245960C00049480387232
behenic acidBehenic acidME7758238215C08281920648117
benzoic acidBenzoic acidME775822243C00180339067179
beta-alaninebeta-AlanineME775821239C00099435564248
beta-gentiobiosebeta-GentiobioseME775820441422C08240974676204
beta-glutamic acidIsoglutamic acidME77581973064C05574525547232
beta-glycerolphosphatesn-Glycero-2-phosphateME7758182526C02979574470243
beta-sitosterolSitosterolME775817222284C017531128225129
butyrolactam2-PyrrolidinoneME77581612025.277199142
catecholPyrocatecholME775815289C00090376695254
cellobioseCellobioseME7758146255C01971932179204
cerotinic acidCerotic acidME77581310469.1033286145
cholesterolCholesterolME7758125997C001871078536129
cholesteroneCholestenoneME77581191477C005991095940456
cholic acidCholic acidME775810221493C054631109517253
ciliatineCiliatineME775809339C03557588335398
cis-gondoic acidcis-Gondoic acidME7758085282768C16526847372367
citramalic acidCitramalic acidME7758071081C00815456203247
citric acidCitric acidME775806311C00158617342273
citrullineCitrullineME7758059750C00327621404157
conduritol-beta-epoxideConduritol epoxideME7758049989541.675635318
creatinineCreatinineME775803588C00791502599115
cysteineCysteineME7758025862C00097500158220
cysteine-glycineCys-GlyME775801439498C01419715335220
cystineCystineME775800595C01420804619218
cytidineCytidineME775799-.934269223
cytosinCytosineME775798597C00380486724254
dehydroabietic acidDehydroabietic acidME77579794391C12078849349239
deoxycholic acidDeoxycholic acidME775796222528C044831106875255
D-erythro-sphingosineSphingosineME7757955280335C00319859500204
dihydroxyacetoneDihydroxyacetoneME775794670C0018433212089
docosahexaenoic acidDocosahexaenoic acidME775793445580C0642990281991
elaidic acidElaidic acidME775792637517C01712784781129
epsilon-caprolactamEpsilon-caprolactamME7757917768C06593353069170
erythritolErythritolME775790222285C00503471922217
erythroseErythroseME775789439574C01796443306205
ethanolamineEthanolamineME775787700C00189344719174
ethanol phosphateEthylphosphateME77578874190.317291211
fructoseFructoseME775786439709C02336639442307
fructose-1-phosphateFructose 1-phosphateME775785439394C01094803180387
fructose-6-phosphateFructose 6-phosphateME775784440641C05345804750315
fucoseFucoseME775783439650C02095578299160
fumaric acidFumaric acidME775782444972C00122390775245
galactinolGalactinolME77578111727586C012351017580204
galactose-6-phosphateGalactose 6-phosphateME775780439404C01113828102387
gluconic acidGluconic acidME7757796857417C00800693148333
glucoseGlucoseME77577864689C00221659798319
glucose-1-phosphateGlucose 1-phosphateME77577765533C00103594647217
glucose-6-phosphateGlucose 6-phosphateME7757765958C00092818275387
glutamic acidGlutamic acidME77577533032C00025529100246
glutamineGlutamineME7757745961C00064600315156
glutaric acidGlutaric acidME775773743C00489421596261
glyceric acidGlyceric acidME775772439194C00258377495189
glycerolGlycerolME775771753C00116344466205
glycerol-3-galactosideGalactosylglycerolME77577016048618C05401800205204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME775769754C03189590747357
glycineGlycineME775768750C00037368707248
glycocyamineGuanidoacetic acidME775767763C00581511016171
glycolic acidGlycolic acidME775766757C00160227636177
glycyl-prolineGly-ProME7757643013625.691662174
glycyl tyrosineGly-TyrME77576592829.922071174
guanineGuanineME775763764C00242744307352
guanosineGuanosineME7757626802C00387957445324
heptadecanoic acidMargaric acidME77576110465.751309117
hippuric acidHippuric acidME775760464C01586637236206
histidineHistidineME7757596274C00135663102154
homoserineHomoserineME77575812647C00263443878218
hydrocinnamic acidHydrocinnamic acidME775757107C05629434422104
hydroxycarbamateHydroxycarbamic acidME77575616639161.325318278
hypoxanthineHypoxanthineME775755790C00262619128265
ile-ileIle-IleME775754-.677904158
indole-3-acetateIndoleacetic acidME775753802C00954684929202
indole-3-lactateIndolelactic acidME775752-.764079202
indole-3-propionic acid3-Indolepropionic acidME7757513744.732249202
indoxyl sulfateIndoxyl sulfateME77575010258.577333277
inosineInosineME7757496021C00294897434230
inositol-4-monophosphateInositol 4-phosphateME775748440043C03546845976315
isocitric acidIsocitric acidME7757475318532C00451617338245
isoheptadecanoic acid15-Methylpalmitic acidME775746164860.737927117
isoleucineIsoleucineME7757456306C00407359251158
isolinoleic acid-ME7757445312483.794629156
isopentadecanoic acidIsopentadecylic acidME775743151014.663518117
isoriboseD-RibopyranoseME77574210975657.558730217
isothreonic acidD-Threonic acidME775741151152C00639489385292
itaconic acidItaconic acidME775740811C00490386511147
kynurenineKynurenineME77573925245862C01718769709218
lactamideLactamideME77573894220.265698232
lactic acidLactic acidME775737612C01432217657191
lactitolLactitolME775736157355C13542959541361
lactobionic acidLactobionic acidME7757357314C04247972139204
lactoseLactoseME7757346134C01970936998204
lanosterolLanosterolME775733246983C017241129573393
lauric acidLauric acidME7757323893C02679547906117
leucineLeucineME7757316106C00123345845158
lignoceric acidLignoceric acidME77573011197C08320978597132
linoleic acidLinoleic acidME7757295280450C01595777414150
lithocholic acidLithocholic acidME7757289903C039901104161215
lysineLysineME7757275962C00047663483317
lyxitolL-ArabitolME775726439255C00532573587217
lyxoseLyxoseME775725439240C00476541086217
maleimideMaleimideME77572410935C07272245118154
malic acidMalic acidME775723525C00711463180233
malonic acidMalonic acidME775722867C00383305372233
maltoseMaltoseME775721439186C00208946601204
maltotrioseMaltotrioseME775720439586C018351176044361
mannoseMannoseME77571918950C00159645856205
mannose-6-phosphateMannose 6-phosphateME77571865127C00275822643387
melibioseMelibioseME775717440658C05402988497361
methanolphosphateMethanolphosphateME77571613130.289520241
methionineMethionineME7757156137C00073483560176
methionine sulfoxideMethionine sulfoxideME775714158980C02989637588128
methylmaleic acidCitraconic acidME775713643798C02226418804259
Mevalonic acidMevalonic acidME775712-.498785247
myo-inositolMyo-inositolME775711892C00137730022305
myristic acidMyristic acidME77571011005C06424634414285
N-acetylaspartic acidN-Acetylaspartic acidME77570965065C01042548028158
N-acetyl-D-galactosamineN-AcetylgalactosamineME775708440552C05021720730319
N-acetylglycineN-AcetylglycineME77570710972.356109174
N-acetylmannosamineN-Acetyl-mannosamineME775706439281C00645735323319
N-acetylornithineN-AcetylornithineME775705439232C00437682693174
N-carbamoylaspartateN-Carbamoylaspartic acidME77570493072C00438611345257
n-epsilon-trimethyllysineN-6-TrimethyllysineME775703440121.512366118
nicotinamideNiacinamideME775702936C00153471602179
nicotinic acidNicotinic acidME775701938C00253366992180
nonadecanoic acidNonadecylic acidME77570012591C16535822782117
norvalineNorvalineME77569965098C01826326715144
O-acetylserineO-AcetylserineME77569899478C00979414914174
octadecanolStearyl alcoholME7756978221.755409327
octadecylglycerolMG O-18:0ME7756963681C13858928878205
oleamideOleamideME7756955283387C19670849710144
oleic acidOleic acidME775694445639C00712781527339
O-phosphoserineDL-O-PhosphoserineME77569357689797C01005624355356
ornithineOrnithineME7756926262C00077527113142
orotic acidOrotic acidME775691967C00295586317254
oxalic acidOxalic acidME775690971C00209260513190
oxoprolineOxoprolineME7756897405C01879485935156
palmitic acidPalmitic acidME775688985C00249713809313
palmitoleic acidPalmitoleic acidME775687445638C08362706508311
pantothenic acidPantothenic acidME7756866613C12276690887291
parabanic acidParabanic acidME77568567126C00802464991100
pentadecanoic acidPentadecylic acidME77568413849C16537674647117
pentitolArabitolME775683827D00061563801307
phenaceturic acidPhenylacetylglycineME77568268144C0559865435191
phenylacetic acidPhenylacetic acidME775681999C07086368081164
phenylalaninePhenylalanineME7756806140C00079537804192
phenylethylaminePhenylethylamineME7756791001C05332510327174
phosphatePhosphoric acidME7756781004C00009348274314
phosphoenolpyruvatePhosphoenolpyruvic acidME77567758114173C00074518184211
phosphoethanolaminePhosphoethanolamineME7756761015C00346604335299
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME7756759378C03672654036308
phytanic acidPhytanic acidME77567410380830.770604159
pimelic acidPimelic acidME775673385C02656523205155
pipecolinic acidPipecolic acidME7756726931662.404121156
piperidone2-PiperidinoneME77567112665.275603156
prolineProlineME775670145742C00148364716142
pseudo uridinePseudouridineME77566915047C02067813899217
p-tolyl glucuronideP-Cresol glucuronideME775668154035.847531180
putrescinePutrescineME7756671045C00138588119174
pyrophosphatePyrophosphateME7756661023C00013327517110
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME77566512473C05942394886240
pyruvic acidPyruvic acidME7756641060C00022211668174
quinolinic acidQuinolinic acidME7756631066C03722581638296
ribitolRibitolME775662827C00474575497217
ribonic acidRibonic acidME7756615460677C01685597646292
riboseRiboseME7756605779C00121553135217
ribose-5-phosphateRibose 5-phosphateME775659439167C00117731837315
ribulose-5-phosphateRibulose 5-phosphateME775658439184C00199735908357
saccharic acidGlucaric acidME77565733037C00818699211333
sarcosineSarcosineME7756567311726C00213266344116
serineSerineME7756555951C00065395020204
serotoninSerotoninME7756545202C00780863824174
shikimic acidShikimic acidME7756538742C00493611100204
sophoroseSophoroseME775652441432C08250962064307
sorbitolSorbitolME7756515780C00794667922217
spermidineSpermidineME7756501102C00315792924144
squaleneSqualeneME775649638072C0075197623795
stearic acidStearic acidME7756485281C01530787622117
succinate semialdehydeSuccinic acid semialdehydeME7756471112C00232297024113
succinic acidSuccinic acidME7756461110C00042370608247
sucroseSucroseME7756455988C00089915139271
tagatoseD-TagatoseME775644439312C00795631835307
taurineTaurineME7756431123C00245556690326
threitolThreitolME775642169019C16884467595217
threonic acidThreonic acidME7756415460407C01620497572292
threonineThreonineME7756406288C00188409568218
thymidineThymidineME7756395789C00214349402170
thymineThymineME7756381135C00178420133255
tocopherol alpha-alpha-TocopherolME775637638015C003761066526237
trans-4-hydroxyprolinetrans-4-HydroxyprolineME7756365810C01157484934140
trehaloseTrehaloseME7756357427C01083948197191
tryptophanTryptophanME7756346305C00078774603130
tryptopholTryptophanolME775633-.657957202
tyrosineTyrosineME7756326057C00082671252218
tyrosolTyrosolME77563110393C06044510842179
UDP GlcNAcUDP-N-acetylglucosamineME775630445675C00043627437226
undecanoic acidUndecylic acidME7756298180C17715500757117
uracilUracilME7756281174C00106385735241
ureaUreaME7756271176C00086328888189
uric acidUric acidME7756261175C00366731038441
uridineUridineME7756256029C00299861508217
urocanic acidUrocanic acidME775624736715C00785699866267
valineValineME7756236287C00183313502144
xanthineXanthineME7756221188C00385701688353
xanthosineXanthosineME77562164959C01762926133325
xylitolXylitolME7756206912C00379567437217
xyloseXyloseME775619135191C00181544100103
xyluloseXyluloseME775618439205C00312553450173


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