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


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