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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
daidzeinDaidzeinME241337--1013259398
galactinolGalactinolME24132411727586C012351017580204
tocopherol beta-beta-tocopherolME2411918989C141521022815223
tocopherol gamma-gamma-TocopherolME24119292729C024831026121223
cerotinic acidCerotic acidME24135010469-1033286145
tocopherol alpha-alpha-TocopherolME241190638015C003761067809237
cholesterolCholesterolME2413485997C001871078536129
tocopherol acetateTocopherol acetateME24119486472C132021081080164
dihydrocholesterolDihydrocholesterolME24133366066C129781082070215
deoxycholic acidDeoxycholic acidME241336222528C044831106875255
cholic acidCholic acidME241347221493C054631109517253
chenodeoxycholic acidChenodeoxycholic acidME24134910133C025281114867255
raffinoseRaffinoseME241215439242C004921120886361
1-kestose1-KestoseME241420440080C036611123027361
beta-sitosterolSitosterolME241357222284C017531128225129
lanosterolLanosterolME241283--1129573393
melezitoseMelezitoseME24126692817C082431146704361
maltotrioseMaltotrioseME241268439586C018351176044361
maltotriitol-ME241269--1216941361
butane-2,3-diol NIST2,3-ButanediolME241355262C03046205778117
pyruvic acidPyruvic acidME2412161060C00022213805174
propane-1,3-diol NISTPropane-1,3-diolME24121910442C02457214380177
lactic acidLactic acidME241285612C01432217657191
glycolic acidGlycolic acidME241308757C00160227636177
acetophenone NISTAcetophenoneME2413767410C07113238615105
alanineAlanineME2413725950C00041243971116
maleimideMaleimideME24127410935C07272245118154
hydroxylamineHydroxylamineME241297787C00192255241146
2-hydroxybutanoic acid2-Hydroxybutyric acidME241408440864C05984258161131
lactamideLactamideME24128694220-265698232
sarcosineSarcosineME241211--266344116
3-hydroxypropionic acidHydroxypropionic acidME24138868152C01013269265177
piperidone2-PiperidinoneME24122112665-275603156
butyrolactam NIST2-PyrrolidinoneME24135412025-277199142
3-hydroxybutyric acid3-Hydroxybutyric acidME24139192135C01089278632191
N-methylalanineN-MethylalanineME2412505288725C02721286855130
methanolphosphateMethanolphosphateME24126413130-289520241
malonic acidMalonic acidME241272867C00383305372233
2-hydroxyvaleric acid2-Hydroxyvaleric acidME24140598009-309587131
2-ketoisocaproic acidKetoleucineME24140470C0023331076189
valineValineME2411786287C00183313502144
2-hydroxyhexanoic acid2-Hydroxyhexanoic acidME241406--323093159
4-hydroxybutyric acid4-Hydroxybutyric acidME24138410413C00989325027233
ureaUreaME2411821176C00086326574189
norvalineNorvalineME24124765098C01826326715144
benzoic acidBenzoic acidME241362243C00180339067179
caprylic acidCaprylic acidME241352379C06423343457201
glycerolGlycerolME241312753C00116344466205
ethanolamineEthanolamineME241329700C00189344719174
phosphatePhosphoric acidME2412271004C00009345365314
leucineLeucineME2412826106C00123346101158
thymidineThymidineME2411965789C00214349402170
2-deoxyerythritol2-DeoxyerythritolME24141118302-354388117
isoleucineIsoleucineME2412916306C00407359251158
prolineProlineME241220145742C00148364716142
nicotinic acidNicotinic acidME241251938C00253366992180
phenylacetic acidPhenylacetic acidME241230999C07086368081164
glycineGlycineME241309750C00037368707248
succinic acidSuccinic acidME2412031110C00042370608247
2-methylglyceric acid NIST2,3-Dihydroxyisobutyric acidME241403560781-372491219
norleucineNorleucineME24124821236C01933374120158
glyceric acidGlyceric acidME241313439194C00258377495189
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME241415250402-384796292
uracilUracilME2411831174C00106385735241
fumaric acidFumaric acidME241325444972C00122390016245
serineSerineME2412105951C00065395020218
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME24141323368901-397526241
pelargonic acidPelargonic acidME2412338158C01601399229117
pipecolinic acidPipecolic acidME2412226931662-404121156
4-methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME241381--408609103
threonineThreonineME2411976288C00188408777218
O-acetylserineO-AcetylserineME24124699478C00979414914174
thymineThymineME2411951135C00178420133255
glutaric acidGlutaric acidME241314743C00489421596261
biphenylBiphenylME241356--426625154
2-deoxytetronic acid3,4-Dihydroxybutyric acidME241409150929-433456189
hydrocinnamic acidHydrocinnamic acidME241298--434422104
beta-alaninebeta-AlanineME241361239C00099435564248
erythroseErythroseME241330439574C01796443306205
homoserineHomoserineME24130012647C00263443878218
capric acidCapric acidME2413532969C01571452386229
3-aminoisobutyric acid3-Aminoisobutanoic acidME24139364956C05145452655248
aminomalonateAminomalonic acidME241368100714C00872455754218
malic acidMalic acidME241273525C00711463180233
parabanic acid NISTParabanic acidME24123467126C00802464991100
threitolThreitolME241199169019C16884467595217
5,6-dihydrouracil major-ME241380--470116243
erythritolErythritolME241331222285C00503471922217
adipic acidAdipic acidME241373196C06104474435111
asparagine dehydratedAsparagineME241364--477011100
methionineMethionineME2412636137C00073483560176
trans-4-hydroxyprolinetrans-4-HydroxyprolineME2411895810C01157484934140
oxoprolineOxoprolineME2412397405C01879485935156
cytosinCytosineME241338597C00380486724254
4-aminobutyric acid4-Aminopentanoic acidME241386119C00334488730304
isothreonic acidD-Threonic acidME241288151152C00639489385292
threonic acidThreonic acidME2411985460407C01620497572292
cysteineCysteineME2413405862C00097500158220
creatinineCreatinineME241341588C00791502599115
2-hydroxyglutaric acid2-Hydroxyglutaric acidME24140743C02630506306247
alpha-ketoglutarate2-Oxoglutaric acidME24136951C00026507392198
6-hydroxynicotinic acid6-Hydroxynicotinic acidME241377--510614268
tyrosolTyrosolME24118510393C06044510842179
phenylethylaminePhenylethylamineME2412281001C05332513300174
3-phenyllactic acidPhenyllactic acidME241387--516011193
3-hydroxy-3-methylglutaric acid3-Hydroxymethylglutaric acidME2413921662C03761521554247
alanine-alanineAla-AlaME2413715484352C00993522546116
beta-glutamic acidIsoglutamic acidME24135973064C05574525547232
ornithineOrnithineME2412416262C00077527113142
3-hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME24138912122C05593527648164
glutamic acidGlutamic acidME24131633032C00025529100246
phenylalaninePhenylalanineME2412296140C00079537804218
4-hydroxybenzoate4-Hydroxybenzoic acidME241385135C00156537925223
5-aminovaleric acid5-Aminopentanoic acidME241379138C00431540425174
lyxoseLyxoseME241275439240C00476541086217
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME241382127C00642542795179
xyloseXyloseME241173135191C00181543267103
N-acetylaspartic acidN-Acetylaspartic acidME24125865065C01042548028158
asparagineAsparagineME2413656267C00152553078188
riboseRiboseME2412125779C00121553135217
xylulose NISTXyluloseME241172439205C00312553450173
taurineTaurineME2412001123C00245556690326
pentitolArabitolME241231827D00061563801307
xylitolXylitolME2411756912C00379567437217
levoglucosanGlucosanME2412812724705-569637204
2,4-diaminobutyric acid2,4-Diaminobutyric acidME241414134490C03283570766174
lyxitolL-ArabitolME241276439255C00532573587217
6-deoxyglucoseQuinovoseME241378441480C08352573663117
ribitolRibitolME241214827C00474575497217
fucoseFucoseME241326439650C02095578299160
3-(3-hydroxyphenyl)propionic acid3-(3-Hydroxyphenyl)propanoic acidME24140091C11457583925192
UDP-glucuronic acidUDP-glucuronic acidME24118417473C00167585473217
orotic acidOrotic acidME241240967C00295586317254
putrescinePutrescineME2412171045C00138588119174
3,6-anhydro-D-galactose3,6-Anhydro-galactoseME24139416069996C06474588886231
glycerol-alpha-phosphatesn-Glycero-3-phosphateME241310754C03189590747357
xylonic acid isomer-ME24117410264C02341590775189
diglycerolDiglycerolME24133442953-591074103
glucose-1-phosphateGlucose 1-phosphateME24131765533C00103594647217
N-acetylputrescineN-AcetylputrescineME241252122356C02714595523174
vanillic acidVanillic acidME2411778468C06672597845297
3-(4-hydroxyphenyl)propionic acidDesaminotyrosineME241399--598147179
ribonic acidRibonic acidME2412135460677C01685599680292
glutamineGlutamineME2413155961C00064600000156
homovanillic acidHomovanillic acidME2412991738C05582601084326
phosphoethanolaminePhosphoethanolamineME2412261015C00346603912299
N-acetylglutamateN-Acetylglutamic acidME24125470914C00624604748216
shikimic acidShikimic acidME2412098742C00493611100204
citric acidCitric acidME241344311C00158617342273
hypoxanthineHypoxanthineME241296790C00262619128265
3,4-dihydroxybenzoic acidProtocatechuic acidME24139872C00230620200193
citrullineCitrullineME2413439750C00327621404157
pinitolPinitolME241223164619C03844622466260
3,4-dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME241395547C01161625046179
2,8-dihydroxyquinolineQuinoline-2,8-diolME24141297250C06342626989290
ketohexoseKetohexoseME241287439312C00795627414307
tagatoseD-TagatoseME241201--629499307
1,5-anhydroglucitol1,5-AnhydrosorbitolME24142264960C07326633969217
myristic acidMyristic acidME24125911005C06424634414285
methionine sulfoxideMethionine sulfoxideME241262158980C02989637588128
fructoseFructoseME241327439709C02336639442307
mannoseMannoseME24126718950C00159645856205
adenineAdenineME241375--646701264
galactoseGalactoseME241322439357C00984647344319
1,2-anhydro-myo-inositol NIST1,2-Anhydro-myo-inositolME241423119054-651472318
p-hydroxylphenyllactic acid4-Hydroxyphenyllactic acidME2412259378C03672654036308
glucoseGlucoseME24131864689C00221659798319
lysineLysineME2412775962C00047663483156
isopentadecanoic acidIsopentadecylic acidME241289--663518117
histidineHistidineME2413016274C00135663790154
tyramineTyramineME2411875610C00483664737174
sorbitolSorbitolME2412065780C00794667922217
galacturonic acidGalacturonic acidME241321441476C08348669400333
tyrosineTyrosineME2411866057C00082671252218
3,4-dihydroxyhydrocinnamic acid NIST3,4-Dihydroxyhydrocinnamic acidME241396348154C10447673176179
pentadecanoic acidPentadecylic acidME24123213849C16537674647117
conduritol-beta-epoxideConduritol epoxideME2413429989541-675635318
1-hexadecanolCetyl alcoholME2414212682C00823679596299
indole-3-acetateIndoleacetic acidME241295802C00954684929202
galactonic acidGalactonic acidME241323128869C00880690882292
pantothenic acidPantothenic acidME2412356613C12276690887291
glycyl-prolineGly-ProME2413073013625-691662174
gluconic acidGluconic acidME2413196857417C00800693148333
N-acetylornithineN-AcetylornithineME241253439232C00437694651174
urocanic acidUrocanic acidME241179--699866267
xanthineXanthineME2411761188C00385701688353
hexitolSorbitolME241302453C00392704741217
palmitoleic acidPalmitoleic acidME241236445638C08362706508311
palmitic acidPalmitic acidME241237985C00249713809313
cis-sinapinic acidcis-Sinapic acidME2413451549091C00482718113338
N-acetyl-D-galactosamineN-Acetyl-D-galactosamineME241257--723255202
allantoic acidAllantoic acidME241370--726050259
myo-inositolMyo-inositolME241260892C00137730022305
uric acidUric acidME2411811175C00366730691441
N-acetyl-D-mannosamineN-Acetyl-mannosamineME241255--731858319
ferulic acidtrans-Ferulic acidME241328445858C01494732779338
guanineGuanineME241306764C00242744307352
n-acetyl-d-hexosamineN-AcetylhexosamineME24125624139C03878746341319
3,4-dihydroxycinnamic acidCaffeic acidME241397689043C01197748847219
heptadecanoic acidMargaric acidME24130410465-751309117
octadecanolStearyl alcoholME2412458221-755409327
indole-3-lactateIndolelactic acidME24129492904C02043764586202
3-hydroxypalmitic acid3R-Hydroxypalmitic acidME24139015569776-774930233
beta-mannosylglycerate-ME241358--775654204
linoleic acidLinoleic acidME2412795280450C01595777414150
linolenic acidOctadecatrienoic acidME2412785280934C06427780376108
tryptophanTryptophanME2411886305C00078780482202
oleic acidOleic acidME241242445639C00712781527339
4-hydroxyhippuric acid NIST4-Hydroxyhippuric acidME241383151012-784581294
stearic acidStearic acidME2412045281C01530787622117
sinapinic acidSinapic acidME24120880642C20448788416338
glycerol-3-galactosideGalactosylglycerolME24131116048618C05401800205204
cystineCystineME241339595C01420804619218
pseudo uridinePseudouridineME24121815047C02067813899217
nonadecanoic acidNonadecylic acidME24124912591C16535822782117
glucoheptuloseGlucoheptuloseME2413205459879C02076828606217
1-methyladenosine1-MethyladenosineME241419--829921259
arachidonic acidArachidonic acidME241366444899C0021983433991
monomyristinMG 14:0ME24126179050-838305343
inositol-4-monophosphateInositol 4-phosphateME241292440043C03546845976315
cis-gondoic acidcis-Gondoic acidME2413465282768C16526847372367
oleamide NISTOleamideME2412435283387C19670849710144
arachidic acidArachidic acidME24136710467C06425856421117
D-erythro-sphingosineSphingosineME241335--859500204
uridineUridineME2411806029C00299861508217
hexadecylglycerol NISTMG O-16:0ME241303--867593205
2-monopalmitinMG 0:0/16:0/0:0ME241401123409-890356129
inosineInosineME2412936021C00294897434230
1-monopalmitinMG 16:0/0:0/0:0ME24141714900C01885901749129
docosahexaenoic acidDocosahexaenoic acidME241332--90281991
phytosphingosinePhytosphingosineME241224122121C12144910976204
adenosineAdenosineME24137460961C00212918039236
sucroseSucroseME2412025988C00089918352361
behenic acidBehenic acidME2413638215C08281920648117
octadecylglycerolMG O-18:0ME241244--928878205
cellobioseCellobioseME2413516255C01971932179204
lactoseLactoseME241284440995C00243935640191
2-monooleinMG 0:0/18:1(9Z)/0:0ME2414025319879-941794129
maltoseMaltoseME241270439186C00208946601204
1-monooleinMG 18:1(9Z)/0:0/0:0ME2414185283468-952623129
guanosineGuanosineME2413056802C00387954962324
1-monostearinMG 18:0/0:0/0:0ME24141624699D01947959214203
2'-deoxyguanosineDeoxyguanosineME241410--959764280
beta-gentiobiosebeta-GentiobioseME241360441422C08240965352160
sophoroseSophoroseME241207441432C08250965726307
squaleneSqualeneME241205638072C0075197623795
maltitolMaltitolME241271493591D04845976828361
lignoceric acidLignoceric acidME24128011197C08320978597132
isomaltoseIsomaltoseME241290439193C00252983199160
melibioseMelibioseME241265440658C05402988497361
palatinitol1,2,3-ButanetriolME241238--996670204
tocopherol delta-delta-TocopherolME24119392094C14151997765208


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