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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
daidzeinDaidzeinME241622--1013259398
galactinolGalactinolME24160911727586C012351017580204
tocopherol beta-beta-tocopherolME2414768989C141521022815223
tocopherol gamma-gamma-TocopherolME24147792729C024831026121223
cerotinic acidCerotic acidME24163510469-1033286145
tocopherol alpha-alpha-TocopherolME241475638015C003761067809237
cholesterolCholesterolME2416335997C001871078536129
tocopherol acetateTocopherol acetateME24147986472C132021081080164
dihydrocholesterolDihydrocholesterolME24161866066C129781082070215
deoxycholic acidDeoxycholic acidME241621222528C044831106875255
cholic acidCholic acidME241632221493C054631109517253
chenodeoxycholic acidChenodeoxycholic acidME24163410133C025281114867255
raffinoseRaffinoseME241500439242C004921120886361
1-kestose1-KestoseME241705440080C036611123027361
beta-sitosterolSitosterolME241642222284C017531128225129
lanosterolLanosterolME241568--1129573393
melezitoseMelezitoseME24155192817C082431146704361
maltotrioseMaltotrioseME241553439586C018351176044361
maltotriitol-ME241554--1216941361
butane-2,3-diol NIST2,3-ButanediolME241640262C03046205778117
pyruvic acidPyruvic acidME2415011060C00022213805174
propane-1,3-diol NISTPropane-1,3-diolME24150410442C02457214380177
lactic acidLactic acidME241570612C01432217657191
glycolic acidGlycolic acidME241593757C00160227636177
acetophenone NISTAcetophenoneME2416617410C07113238615105
alanineAlanineME2416575950C00041243971116
maleimideMaleimideME24155910935C07272245118154
hydroxylamineHydroxylamineME241582787C00192255241146
2-hydroxybutanoic acid2-Hydroxybutyric acidME241693440864C05984258161131
lactamideLactamideME24157194220-265698232
sarcosineSarcosineME241496--266344116
3-hydroxypropionic acidHydroxypropionic acidME24167368152C01013269265177
piperidone2-PiperidinoneME24150612665-275603156
butyrolactam NIST2-PyrrolidinoneME24163912025-277199142
3-hydroxybutyric acid3-Hydroxybutyric acidME24167692135C01089278632191
N-methylalanineN-MethylalanineME2415355288725C02721286855130
methanolphosphateMethanolphosphateME24154913130-289520241
malonic acidMalonic acidME241557867C00383305372233
2-hydroxyvaleric acid2-Hydroxyvaleric acidME24169098009-309587131
2-ketoisocaproic acidKetoleucineME24168970C0023331076189
valineValineME2414636287C00183313502144
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME241691--323093159
4-hydroxybutyric acid4-Hydroxybutyric acidME24166910413C00989325027233
ureaUreaME2414671176C00086326574189
norvalineNorvalineME24153265098C01826326715144
benzoic acidBenzoic acidME241647243C00180339067179
caprylic acidCaprylic acidME241637379C06423343457201
glycerolGlycerolME241597753C00116344466205
ethanolamineEthanolamineME241614700C00189344719174
phosphatePhosphoric acidME2415121004C00009345365314
leucineLeucineME2415676106C00123346101158
thymidineThymidineME2414815789C00214349402170
2-deoxyerythritol2-DeoxyerythritolME24169618302-354388117
isoleucineIsoleucineME2415766306C00407359251158
prolineProlineME241505145742C00148364716142
nicotinic acidNicotinic acidME241536938C00253366992180
phenylacetic acidPhenylacetic acidME241515999C07086368081164
glycineGlycineME241594750C00037368707248
succinic acidSuccinic acidME2414881110C00042370608247
2-methylglyceric acid NIST2,3-Dihydroxyisobutyric acidME241688560781-372491219
norleucineNorleucineME24153321236C01933374120158
glyceric acidGlyceric acidME241598439194C00258377495189
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME241700250402-384796292
uracilUracilME2414681174C00106385735241
fumaric acidFumaric acidME241610444972C00122390016245
serineSerineME2414955951C00065395020218
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME24169823368901-397526241
pelargonic acidPelargonic acidME2415188158C01601399229117
pipecolinic acidPipecolic acidME2415076931662-404121156
4-methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME241666--408609103
threonineThreonineME2414826288C00188408777218
O-acetylserineO-AcetylserineME24153199478C00979414914174
thymineThymineME2414801135C00178420133255
glutaric acidGlutaric acidME241599743C00489421596261
biphenylBiphenylME241641--426625154
2-deoxytetronic acid3,4-Dihydroxybutyric acidME241694150929-433456189
hydrocinnamic acidHydrocinnamic acidME241583--434422104
beta-alaninebeta-AlanineME241646239C00099435564248
erythroseErythroseME241615439574C01796443306205
homoserineHomoserineME24158512647C00263443878218
capric acidCapric acidME2416382969C01571452386229
3-aminoisobutyric acid3-Aminoisobutanoic acidME24167864956C05145452655248
aminomalonateAminomalonic acidME241653100714C00872455754218
malic acidMalic acidME241558525C00711463180233
parabanic acid NISTParabanic acidME24151967126C00802464991100
threitolThreitolME241484169019C16884467595217
5,6-dihydrouracil major-ME241665--470116243
erythritolErythritolME241616222285C00503471922217
adipic acidAdipic acidME241658196C06104474435111
asparagine dehydratedAsparagineME241649--477011100
methionineMethionineME2415486137C00073483560176
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2414745810C01157484934140
oxoprolineOxoprolineME2415247405C01879485935156
cytosinCytosineME241623597C00380486724254
4-aminobutyric acid4-Aminopentanoic acidME241671119C00334488730304
isothreonic acidD-Threonic acidME241573151152C00639489385292
threonic acidThreonic acidME2414835460407C01620497572292
cysteineCysteineME2416255862C00097500158220
creatinineCreatinineME241626588C00791502599115
2-hydroxyglutaric acid2-Hydroxyglutaric acidME24169243C02630506306247
alpha-ketoglutarate2-Oxoglutaric acidME24165451C00026507392198
6-hydroxynicotinic acid6-Hydroxynicotinic acidME241662--510614268
tyrosolTyrosolME24147010393C06044510842179
phenylethylaminePhenylethylamineME2415131001C05332513300174
3-phenyllactic acidPhenyllactic acidME241672--516011193
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME2416771662C03761521554247
alanine-alanineAla-AlaME2416565484352C00993522546116
beta-glutamic acidIsoglutamic acidME24164473064C05574525547232
ornithineOrnithineME2415266262C00077527113142
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME24167412122C05593527648164
glutamic acidGlutamic acidME24160133032C00025529100246
phenylalaninePhenylalanineME2415146140C00079537804218
4-hydroxybenzoate4-Hydroxybenzoic acidME241670135C00156537925223
5-aminovaleric acid5-Aminopentanoic acidME241664138C00431540425174
lyxoseLyxoseME241560439240C00476541086217
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME241667127C00642542795179
xyloseXyloseME241458135191C00181543267103
N-acetylaspartic acidN-Acetylaspartic acidME24154365065C01042548028158
asparagineAsparagineME2416506267C00152553078188
riboseRiboseME2414975779C00121553135217
xylulose NISTXyluloseME241457439205C00312553450173
taurineTaurineME2414851123C00245556690326
pentitolArabitolME241516827D00061563801307
xylitolXylitolME2414606912C00379567437217
levoglucosanGlucosanME2415662724705-569637204
2,4-diaminobutyric acid2,4-Diaminobutyric acidME241699134490C03283570766174
lyxitolL-ArabitolME241561439255C00532573587217
6-deoxyglucoseQuinovoseME241663441480C08352573663117
ribitolRibitolME241499827C00474575497217
fucoseFucoseME241611439650C02095578299160
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME24168591C11457583925192
UDP-glucuronic acidUDP-glucuronic acidME24146917473C00167585473217
orotic acidOrotic acidME241525967C00295586317254
putrescinePutrescineME2415021045C00138588119174
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME24167916069996C06474588886231
glycerol-alpha-phosphatesn-Glycero-3-phosphateME241595754C03189590747357
xylonic acid isomer-ME24145910264C02341590775189
diglycerolDiglycerolME24161942953-591074103
glucose-1-phosphateGlucose 1-phosphateME24160265533C00103594647217
N-acetylputrescineN-AcetylputrescineME241537122356C02714595523174
vanillic acidVanillic acidME2414628468C06672597845297
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME241684--598147179
ribonic acidRibonic acidME2414985460677C01685599680292
glutamineGlutamineME2416005961C00064600000156
homovanillic acidHomovanillic acidME2415841738C05582601084326
phosphoethanolaminePhosphoethanolamineME2415111015C00346603912299
N-acetylglutamateN-Acetylglutamic acidME24153970914C00624604748216
shikimic acidShikimic acidME2414948742C00493611100204
citric acidCitric acidME241629311C00158617342273
hypoxanthineHypoxanthineME241581790C00262619128265
3,4-dihydroxybenzoic acidProtocatechuic acidME24168372C00230620200193
citrullineCitrullineME2416289750C00327621404157
pinitolPinitolME241508164619C03844622466260
3,4-dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME241680547C01161625046179
2,8-dihydroxyquinolineQuinoline-2,8-diolME24169797250C06342626989290
ketohexoseKetohexoseME241572439312C00795627414307
tagatoseD-TagatoseME241486--629499307
1,5-anhydroglucitol1,5-AnhydrosorbitolME24170764960C07326633969217
myristic acidMyristic acidME24154411005C06424634414285
methionine sulfoxideMethionine sulfoxideME241547158980C02989637588128
fructoseFructoseME241612439709C02336639442307
mannoseMannoseME24155218950C00159645856205
adenineAdenineME241660--646701264
galactoseGalactoseME241607439357C00984647344319
1,2-anhydro-myo-inositol NIST1,2-Anhydro-myo-inositolME241708119054-651472318
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME2415109378C03672654036308
glucoseGlucoseME24160364689C00221659798319
lysineLysineME2415625962C00047663483156
isopentadecanoic acidIsopentadecylic acidME241574--663518117
histidineHistidineME2415866274C00135663790154
tyramineTyramineME2414725610C00483664737174
sorbitolSorbitolME2414915780C00794667922217
galacturonic acidGalacturonic acidME241606441476C08348669400333
tyrosineTyrosineME2414716057C00082671252218
3,4-dihydroxyhydrocinnamic acid NIST3,4-Dihydroxyhydrocinnamic acidME241681348154C10447673176179
pentadecanoic acidPentadecylic acidME24151713849C16537674647117
conduritol-beta-epoxideConduritol epoxideME2416279989541-675635318
1-hexadecanolCetyl alcoholME2417062682C00823679596299
indole-3-acetateIndoleacetic acidME241580802C00954684929202
galactonic acidGalactonic acidME241608128869C00880690882292
pantothenic acidPantothenic acidME2415206613C12276690887291
glycyl-prolineGly-ProME2415923013625-691662174
gluconic acidGluconic acidME2416046857417C00800693148333
N-acetylornithineN-AcetylornithineME241538439232C00437694651174
urocanic acidUrocanic acidME241464--699866267
xanthineXanthineME2414611188C00385701688353
hexitolSorbitolME241587453C00392704741217
palmitoleic acidPalmitoleic acidME241521445638C08362706508311
palmitic acidPalmitic acidME241522985C00249713809313
cis-sinapinic acidcis-Sinapic acidME2416301549091C00482718113338
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME241542--723255202
allantoic acidAllantoic acidME241655--726050259
myo-inositolMyo-inositolME241545892C00137730022305
uric acidUric acidME2414661175C00366730691441
N-acetyl-D-mannosamineN-Acetyl-mannosamineME241540--731858319
ferulic acidtrans-Ferulic acidME241613445858C01494732779338
guanineGuanineME241591764C00242744307352
n-acetyl-d-hexosamineN-AcetylhexosamineME24154124139C03878746341319
3,4-dihydroxycinnamic acidCaffeic acidME241682689043C01197748847219
heptadecanoic acidMargaric acidME24158910465-751309117
octadecanolStearyl alcoholME2415308221-755409327
indole-3-lactateIndolelactic acidME24157992904C02043764586202
3-hydroxypalmitic acid3R-Hydroxypalmitic acidME24167515569776-774930233
beta-mannosylglycerate-ME241643--775654204
linoleic acidLinoleic acidME2415645280450C01595777414150
linolenic acidOctadecatrienoic acidME2415635280934C06427780376108
tryptophanTryptophanME2414736305C00078780482202
oleic acidOleic acidME241527445639C00712781527339
4-hydroxyhippuric acid NIST4-Hydroxyhippuric acidME241668151012-784581294
stearic acidStearic acidME2414895281C01530787622117
sinapinic acidSinapic acidME24149380642C20448788416338
glycerol-3-galactosideGalactosylglycerolME24159616048618C05401800205204
cystineCystineME241624595C01420804619218
pseudo uridinePseudouridineME24150315047C02067813899217
nonadecanoic acidNonadecylic acidME24153412591C16535822782117
glucoheptuloseGlucoheptuloseME2416055459879C02076828606217
1-methyladenosine1-MethyladenosineME241704--829921259
arachidonic acidArachidonic acidME241651444899C0021983433991
monomyristinMG 14:0ME24154679050-838305343
inositol-4-monophosphateInositol 4-phosphateME241577440043C03546845976315
cis-gondoic acidcis-Gondoic acidME2416315282768C16526847372367
oleamide NISTOleamideME2415285283387C19670849710144
arachidic acidArachidic acidME24165210467C06425856421117
D-erythro-sphingosineSphingosineME241620--859500204
uridineUridineME2414656029C00299861508217
hexadecylglycerol NISTMG O-16:0ME241588--867593205
2-monopalmitinMG 0:0/16:0/0:0ME241686123409-890356129
inosineInosineME2415786021C00294897434230
1-monopalmitinMG 16:0/0:0/0:0ME24170214900C01885901749129
docosahexaenoic acidDocosahexaenoic acidME241617--90281991
phytosphingosinePhytosphingosineME241509122121C12144910976204
adenosineAdenosineME24165960961C00212918039236
sucroseSucroseME2414875988C00089918352361
behenic acidBehenic acidME2416488215C08281920648117
octadecylglycerolMG O-18:0ME241529--928878205
cellobioseCellobioseME2416366255C01971932179204
lactoseLactoseME241569440995C00243935640191
2-monooleinMG 0:0/18:1(9Z)/0:0ME2416875319879-941794129
maltoseMaltoseME241555439186C00208946601204
1-monooleinMG 18:1(9Z)/0:0/0:0ME2417035283468-952623129
guanosineGuanosineME2415906802C00387954962324
1-monostearinMG 18:0/0:0/0:0ME24170124699D01947959214203
2'-deoxyguanosineDeoxyguanosineME241695--959764280
beta-gentiobiosebeta-GentiobioseME241645441422C08240965352160
sophoroseSophoroseME241492441432C08250965726307
squaleneSqualeneME241490638072C0075197623795
maltitolMaltitolME241556493591D04845976828361
lignoceric acidLignoceric acidME24156511197C08320978597132
isomaltoseIsomaltoseME241575439193C00252983199160
melibioseMelibioseME241550440658C05402988497361
palatinitol1,2,3-ButanetriolME241523--996670204
tocopherol delta-delta-TocopherolME24147892094C14151997765208


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