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


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