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


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