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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
parabanic acidParabanic acidME77568567126C00802464991100
xyloseXyloseME775619135191C00181544100103
hydrocinnamic acidHydrocinnamic acidME775757107C05629434422104
pyrophosphatePyrophosphateME7756661023C00013327517110
adipic acidAdipic acidME775834196C06104474435111
succinate semialdehydeSuccinic acid semialdehydeME7756471112C00232297024113
creatinineCreatinineME775803588C00791502599115
alanineAlanineME7758335950C00041243971116
alanine-alanineAla-AlaME7758325484352C00993522546116
sarcosineSarcosineME7756567311726C00213266344116
9-myristoleateMyristoleic acidME775839-.630100117
arachidic acidArachidic acidME77582710467C06425856421117
behenic acidBehenic acidME7758238215C08281920648117
heptadecanoic acidMargaric acidME77576110465.751309117
isoheptadecanoic acid15-Methylpalmitic acidME775746164860.737927117
isopentadecanoic acidIsopentadecylic acidME775743151014.663518117
lauric acidLauric acidME7757323893C02679547906117
nonadecanoic acidNonadecylic acidME77570012591C16535822782117
pentadecanoic acidPentadecylic acidME77568413849C16537674647117
stearic acidStearic acidME7756485281C01530787622117
undecanoic acidUndecylic acidME7756298180C17715500757117
n-epsilon-trimethyllysineN-6-TrimethyllysineME775703440121.512366118
methionine sulfoxideMethionine sulfoxideME775714158980C02989637588128
1-monooleinMG 18:1(9Z)/0:0/0:0ME7758805283468.952623129
2-monooleinMG 0:0/18:1(9Z)/0:0ME7758595319879.941794129
2-monopalmitinMG 0:0/16:0/0:0ME775858123409.890356129
beta-sitosterolSitosterolME775817222284C017531128225129
cholesterolCholesterolME7758125997C001871078536129
elaidic acidElaidic acidME775792637517C01712784781129
2-aminobutyric acid2-Aminobutyric acidME7758746657C02721285825130
tryptophanTryptophanME7756346305C00078774603130
2-hydroxybutanoic acid2-Hydroxybutyric acidME775869440864C05984258161131
2-hydroxyvaleric acid2-Hydroxyvaleric acidME77586698009.309587131
lignoceric acidLignoceric acidME77573011197C08320978597132
trans-4-hydroxyprolinetrans-4-HydroxyprolineME7756365810C01157484934140
5-hydroxynorvaline-ME77584195562.494077142
butyrolactam2-PyrrolidinoneME77581612025.277199142
ornithineOrnithineME7756926262C00077527113142
prolineProlineME775670145742C00148364716142
norvalineNorvalineME77569965098C01826326715144
oleamideOleamideME7756955283387C19670849710144
spermidineSpermidineME7756501102C00315792924144
valineValineME7756236287C00183313502144
2-hydroxy-2-methylbutanoic acid2-Hydroxy-2-methyl-butyric acidME77587095433.264833145
cerotinic acidCerotic acidME77581310469.1033286145
itaconic acidItaconic acidME775740811C00490386511147
linoleic acidLinoleic acidME7757295280450C01595777414150
histidineHistidineME7757596274C00135663102154
maleimideMaleimideME77572410935C07272245118154
pimelic acidPimelic acidME775673385C02656523205155
glutamineGlutamineME7757745961C00064600315156
isolinoleic acid-ME7757445312483.794629156
oxoprolineOxoprolineME7756897405C01879485935156
pipecolinic acidPipecolic acidME7756726931662.404121156
piperidone2-PiperidinoneME77567112665.275603156
citrullineCitrullineME7758059750C00327621404157
ile-ileIle-IleME775754-.677904158
isoleucineIsoleucineME7757456306C00407359251158
leucineLeucineME7757316106C00123345845158
N-acetylaspartic acidN-Acetylaspartic acidME77570965065C01042548028158
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME77586799824.323093159
phytanic acidPhytanic acidME77567410380830.770604159
fucoseFucoseME775783439650C02095578299160
3-ureidopropionateUreidopropionic acidME775848111C02642554966161
phenylacetic acidPhenylacetic acidME775681999C07086368081164
adenosine-5-monophosphateAMPME7758356083C000201038688169
epsilon-caprolactamEpsilon-caprolactamME7757917768C06593353069170
thymidineThymidineME7756395789C00214349402170
glycocyamineGuanidoacetic acidME775767763C00581511016171
xyluloseXyluloseME775618439205C00312553450173
5-aminovaleric acid5-Aminopentanoic acidME775842138C00431555805174
5-methoxytryptamine5-MethoxytryptamineME7758401833C05659857675174
ethanolamineEthanolamineME775787700C00189344719174
glycyl-prolineGly-ProME7757643013625.691662174
glycyl tyrosineGly-TyrME77576592829.922071174
N-acetylglycineN-AcetylglycineME77570710972.356109174
N-acetylornithineN-AcetylornithineME775705439232C00437682693174
O-acetylserineO-AcetylserineME77569899478C00979414914174
phenylethylaminePhenylethylamineME7756791001C05332510327174
putrescinePutrescineME7756671045C00138588119174
pyruvic acidPyruvic acidME7756641060C00022211668174
serotoninSerotoninME7756545202C00780863824174
methionineMethionineME7757156137C00073483560176
3-hydroxypropionic acidHydroxypropionic acidME77585168152C01013269265177
glycolic acidGlycolic acidME775766757C00160227636177
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME77585610394C01744598147179
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME775844127C00642542795179
benzoic acidBenzoic acidME775822243C00180339067179
nicotinamideNiacinamideME775702936C00153471602179
tyrosolTyrosolME77563110393C06044510842179
2-picolinic acidPicolinic acidME7758571018C10164381532180
nicotinic acidNicotinic acidME775701938C00253366992180
p-tolyl glucuronideP-Cresol glucuronideME775668154035.847531180
2-deoxytetronic acid3,4-Dihydroxybutyric acidME775871150929.433456189
glyceric acidGlyceric acidME775772439194C00258377495189
ureaUreaME7756271176C00086328888189
oxalic acidOxalic acidME775690971C00209260513190
3-hydroxybutyric acid3-Hydroxybutyric acidME77585392135C01089278829191
lactic acidLactic acidME775737612C01432217657191
trehaloseTrehaloseME7756357427C01083948197191
phenylalaninePhenylalanineME7756806140C00079537804192
3-phenyllactic acidPhenyllactic acidME7758503848.516011193
alpha-ketoglutarate2-Oxoglutaric acidME77582951C00026507392198
2,6-diaminopimelic acid2,6-Diaminopimelic acidME775876865.686035200
indole-3-acetateIndoleacetic acidME775753802C00954684929202
indole-3-lactateIndolelactic acidME775752-.764079202
indole-3-propionic acid3-Indolepropionic acidME7757513744.732249202
tryptopholTryptophanolME775633-.657957202
1-monostearinMG 18:0/0:0/0:0ME77587824699D01947959214203
beta-gentiobiosebeta-GentiobioseME775820441422C08240974676204
cellobioseCellobioseME7758146255C01971932179204
D-erythro-sphingosineSphingosineME7757955280335C00319859500204
galactinolGalactinolME77578111727586C012351017580204
glycerol-3-galactosideGalactosylglycerolME77577016048618C05401800205204
lactobionic acidLactobionic acidME7757357314C04247972139204
lactoseLactoseME7757346134C01970936998204
maltoseMaltoseME775721439186C00208946601204
serineSerineME7756555951C00065395020204
shikimic acidShikimic acidME7756538742C00493611100204
erythroseErythroseME775789439574C01796443306205
glycerolGlycerolME775771753C00116344466205
mannoseMannoseME77571918950C00159645856205
octadecylglycerolMG O-18:0ME7756963681C13858928878205
hippuric acidHippuric acidME775760464C01586637236206
ethanol phosphateEthylphosphateME77578874190.317291211
phosphoenolpyruvatePhosphoenolpyruvic acidME77567758114173C00074518184211
lithocholic acidLithocholic acidME7757289903C039901104161215
1,5-anhydroglucitol1,5-AnhydrosorbitolME77588264960C07326632918217
erythritolErythritolME775790222285C00503471922217
glucose-1-phosphateGlucose 1-phosphateME77577765533C00103594647217
isoriboseD-RibopyranoseME77574210975657.558730217
lyxitolL-ArabitolME775726439255C00532573587217
lyxoseLyxoseME775725439240C00476541086217
pseudo uridinePseudouridineME77566915047C02067813899217
ribitolRibitolME775662827C00474575497217
riboseRiboseME7756605779C00121553135217
sorbitolSorbitolME7756515780C00794667922217
threitolThreitolME775642169019C16884467595217
uridineUridineME7756256029C00299861508217
xylitolXylitolME7756206912C00379567437217
aminomalonateAminomalonic acidME775828100714C00872455754218
cystineCystineME775800595C01420804619218
homoserineHomoserineME77575812647C00263443878218
kynurenineKynurenineME77573925245862C01718769709218
threonineThreonineME7756406288C00188409568218
tyrosineTyrosineME7756326057C00082671252218
2-methylglyceric acid2,3-Dihydroxyisobutyric acidME775860560781.377962219
4-hydroxycinnamic acidcis-p-Coumaric acidME775845637542C00811674616219
cysteineCysteineME7758025862C00097500158220
cysteine-glycineCys-GlyME775801439498C01419715335220
cytidineCytidineME775799-.934269223
UDP GlcNAcUDP-N-acetylglucosamineME775630445675C00043627437226
3-phosphoglycerate3-Phosphoglyceric acidME775849724C00597610734227
aconitic acidcis-Aconitic acidME775838643757C00417586815229
inosineInosineME7757496021C00294897434230
2-deoxypentitol2-Deoxy-D-ribitolME775872249377.521785231
asparagineAsparagineME7758256267C00152553743231
aspartic acidAspartic acidME7758245960C00049480387232
beta-glutamic acidIsoglutamic acidME77581973064C05574525547232
lactamideLactamideME77573894220.265698232
3-hydroxypalmitic acid3R-Hydroxypalmitic acidME77585215569776.774930233
4-hydroxybutyric acid4-Hydroxybutyric acidME77584610413C00989325027233
malic acidMalic acidME775723525C00711463180233
malonic acidMalonic acidME775722867C00383305372233
2-ketoglucose dimethylacetalD-GlucosoneME775863159630.456913234
adenosineAdenosineME77583660961C00212918039236
tocopherol alpha-alpha-TocopherolME775637638015C003761066526237
dehydroabietic acidDehydroabietic acidME77579794391C12078849349239
pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME77566512473C05942394886240
2,5-dihydroxypyrazine2,5-DihydroxypyrazineME77587723368901.397526241
methanolphosphateMethanolphosphateME77571613130.289520241
uracilUracilME7756281174C00106385735241
5,6-dihydrouracilDihydrouracilME775843-.470116243
beta-glycerolphosphatesn-Glycero-2-phosphateME7758182526C02979574470243
fumaric acidFumaric acidME775782444972C00122390775245
isocitric acidIsocitric acidME7757475318532C00451617338245
glutamic acidGlutamic acidME77577533032C00025529100246
2-hydroxyglutaric acid2-Hydroxyglutaric acidME77586843C02630506306247
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME7758541662C03761521554247
citramalic acidCitramalic acidME7758071081C00815456203247
Mevalonic acidMevalonic acidME775712-.498785247
succinic acidSuccinic acidME7756461110C00042370608247
3-aminoisobutyric acid3-Aminoisobutanoic acidME77585564956C05145452655248
beta-alaninebeta-AlanineME775821239C00099435564248
glycineGlycineME775768750C00037368707248
cholic acidCholic acidME775810221493C054631109517253
catecholPyrocatecholME775815289C00090376695254
cytosinCytosineME775798597C00380486724254
orotic acidOrotic acidME775691967C00295586317254
deoxycholic acidDeoxycholic acidME775796222528C044831106875255
thymineThymineME7756381135C00178420133255
N-carbamoylaspartateN-Carbamoylaspartic acidME77570493072C00438611345257
allantoic acidAllantoic acidME775831203C00499726050259
methylmaleic acidCitraconic acidME775713643798C02226418804259
alpha-aminoadipic acidalpha-Aminoadipic acidME77583092136C00956573295260
glutaric acidGlutaric acidME775773743C00489421596261
adenineAdenineME775837190C00147646701264
hypoxanthineHypoxanthineME775755790C00262619128265
urocanic acidUrocanic acidME775624736715C00785699866267
sucroseSucroseME7756455988C00089915139271
citric acidCitric acidME775806311C00158617342273
indoxyl sulfateIndoxyl sulfateME77575010258.577333277
hydroxycarbamateHydroxycarbamic acidME77575616639161.325318278
2'-deoxyguanosineDeoxyguanosineME775873187790C00330959764280
myristic acidMyristic acidME77571011005C06424634414285
2,8-dihydroxyquinolineQuinoline-2,8-diolME77587597250C06342626989290
pantothenic acidPantothenic acidME7756866613C12276690887291
isothreonic acidD-Threonic acidME775741151152C00639489385292
ribonic acidRibonic acidME7756615460677C01685597646292
threonic acidThreonic acidME7756415460407C01620497572292
quinolinic acidQuinolinic acidME7756631066C03722581638296
1-hexadecanolCetyl alcoholME7758812682C00823679596299
phosphoethanolaminePhosphoethanolamineME7756761015C00346604335299
4-aminobutyric acid4-Aminopentanoic acidME775847119C00334488730304
myo-inositolMyo-inositolME775711892C00137730022305
fructoseFructoseME775786439709C02336639442307
pentitolArabitolME775683827D00061563801307
sophoroseSophoroseME775652441432C08250962064307
tagatoseD-TagatoseME775644439312C00795631835307
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME7756759378C03672654036308
palmitoleic acidPalmitoleic acidME775687445638C08362706508311
palmitic acidPalmitic acidME775688985C00249713809313
phosphatePhosphoric acidME7756781004C00009348274314
fructose-6-phosphateFructose 6-phosphateME775784440641C05345804750315
inositol-4-monophosphateInositol 4-phosphateME775748440043C03546845976315
ribose-5-phosphateRibose 5-phosphateME775659439167C00117731837315
lysineLysineME7757275962C00047663483317
conduritol-beta-epoxideConduritol epoxideME7758049989541.675635318
glucoseGlucoseME77577864689C00221659798319
N-acetyl-D-galactosamineN-AcetylgalactosamineME775708440552C05021720730319
N-acetylmannosamineN-Acetyl-mannosamineME775706439281C00645735323319
guanosineGuanosineME7757626802C00387957445324
xanthosineXanthosineME77562164959C01762926133325
taurineTaurineME7756431123C00245556690326
octadecanolStearyl alcoholME7756978221.755409327
gluconic acidGluconic acidME7757796857417C00800693148333
saccharic acidGlucaric acidME77565733037C00818699211333
oleic acidOleic acidME775694445639C00712781527339
guanineGuanineME775763764C00242744307352
xanthineXanthineME7756221188C00385701688353
O-phosphoserineDL-O-PhosphoserineME77569357689797C01005624355356
glycerol-alpha-phosphatesn-Glycero-3-phosphateME775769754C03189590747357
ribulose-5-phosphateRibulose 5-phosphateME775658439184C00199735908357
lactitolLactitolME775736157355C13542959541361
maltotrioseMaltotrioseME775720439586C018351176044361
melibioseMelibioseME775717440658C05402988497361
cis-gondoic acidcis-Gondoic acidME7758085282768C16526847372367
1-monopalmitinMG 16:0/0:0/0:0ME77587914900C01885901749371
fructose-1-phosphateFructose 1-phosphateME775785439394C01094803180387
galactose-6-phosphateGalactose 6-phosphateME775780439404C01113828102387
glucose-6-phosphateGlucose 6-phosphateME7757765958C00092818275387
mannose-6-phosphateMannose 6-phosphateME77571865127C00275822643387
lanosterolLanosterolME775733246983C017241129573393
ciliatineCiliatineME775809339C03557588335398
uric acidUric acidME7756261175C00366731038441
cholesteroneCholestenoneME77581191477C005991095940456
2-ketoadipic acidOxoadipic acidME77586571C0032232404889
2-ketobutyric acid3-Methyl pyruvic acidME77586458C0010924311689
2-ketoisocaproic acidKetoleucineME77586270C0023331076189
2-ketoisovaleric acidKetoisovaleric acidME77586149C0014126317789
dihydroxyacetoneDihydroxyacetoneME775794670C0018433212089
arachidonic acidArachidonic acidME775826444899C0021983433991
docosahexaenoic acidDocosahexaenoic acidME775793445580C0642990281991
phenaceturic acidPhenylacetylglycineME77568268144C0559865435191
squaleneSqualeneME775649638072C0075197623795


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