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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
1,5-anhydroglucitol1,5-AnhydrosorbitolME13259464960C07326634023191
1-monopalmitinMG 16:0/0:0/0:0ME13259614900-901207371
1-monostearinMG 18:0/0:0/0:0ME13259524699D01947956148399
2,3,5-trihydroxypyrazine NIST-ME132581--531135344
238267 trisaccharide-ME132599--1122259361
2,3-dihydroxybutanoic acid NIST2,3-Dihydroxybutanoic acidME13258213120900-384445292
2-aminoadipic acidalpha-Aminoadipic acidME132593469C00956573532260
2-deoxyerythritol2-DeoxyerythritolME13259218302-354236117
2-deoxytetronic acid3,4-Dihydroxybutyric acidME132590--433467233
2-hydroxybutanoic acid2-Hydroxybutyric acidME13258894318C05984257844131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME13258743C02630506359129
2-hydroxyhippuric acidSalicyluric acidME13258610263C07588725431324
2-hydroxyvaleric acid2-Hydroxyvaleric acidME13258598009-310750131
2-ketoisocaproic acidKetoleucineME13258470C0023329040489
2-oxogluconic acid NIST2-Dehydro-D-gluconic acidME1325833035456C00629542152201
3-aminoisobutyric acid3-Aminoisobutanoic acidME132580--453103174
3-hydroxybutanoic acid3-Hydroxybutyric acidME13257992135C01089278651191
3-phosphoglycerate3-Phosphoglyceric acidME132578724C00197611619299
400671 carbohydrate-ME132598--599923204
4-hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME132577127C00642541685296
4-hydroxyprolinecis-4-HydroxyprolineME132576--487405230
5-aminovaleric acid lactame2-PiperidinoneME13257512665-275813170
5-hydroxynorvaline NISTL-2-Amino-5-hydroxypentanoic acidME13257495562-494838142
5-methoxytryptamine5-MethoxytryptamineME1325731833C05659863982174
6-deoxyglucitol NIST6-DeoxyglucitolME132572151266-595333117
715929 carbohydrate-ME132597--947018204
acetophenone NISTAcetophenoneME1325717410C07113238719105
aconitic acidcis-Aconitic acidME132570--589666229
adenosine-5-phosphateAMPME1325696083C000201039143169
adipic acidAdipic acidME132568196C06104475399111
alanineAlanineME1325675950C00041236539116
allantoic acidAllantoic acidME132566203C00499646921428
alpha ketoglutaric acid2-Oxoglutaric acidME13256551C00026507734198
aminomalonic acidAminomalonic acidME132564100714C00872455266218
arabinoseArabinoseME132563229C00259546892217
arabitolArabitolME13256294154C01904572600307
arachidic acidArachidic acidME13256110467C06425855930117
arachidonic acidArachidonic acidME1325605312542-83575191
asparagineAsparagineME132559236C00152553698116
aspartic acidAspartic acidME1325585960C00049478092232
azelaic acidAzelaic acidME1325572266C08261610175317
behenic acidBehenic acidME1325568215C08281919675132
benzoic acidBenzoic acidME132555243C00180338714179
benzylalcoholBenzyl alcoholME132554244C00556281338165
beta-alaninebeta-AlanineME132553239C00099435375248
beta-sitosterolSitosterolME132552222284C017531126938129
butane-2,3-diol (NIST)2,3-ButanediolME132551262C03044204284117
capric acidCapric acidME1325502969C01571451122117
caprylic acidCaprylic acidME132549379C06423343899201
cellobiotolCellobiotolME132548160514-956355204
cholesterolCholesterolME1325475997C001871075918129
citric acidCitric acidME132546311C00158617288273
citrullineCitrullineME1325459750C00327620728157
conduritol beta expoxideConduritol epoxideME132544--704785318
creatinineCreatinineME132543--504442115
cyano-L-alanineCyanoalanineME13254213538C02512404014141
cysteineCysteineME132541--497030220
cysteine-glycineCys-GlyME132540439498C01419715639220
cystineCystineME13253967678C00491804143218
cytidine-5'-diphosphateCDPME132538290C00112861380217
deoxytetronic acid NIST-ME132589150929-390395117
deoxythreittol NIST2-DeoxyerythritolME13259118302-422939103
dihydro-3-coumaric acid3-(3-Hydroxyphenyl)propanoic acidME13253791C11457583527205
dodecanolDodecanolME1325368193C02277508488243
erythritolErythritolME132535222285C00503471274205
ethanolamineEthanolamineME132534700C00189340837174
fructoseFructoseME1325335984C00095642325307
fucoseFucoseME13253294270C01019584612117
fucose + rhamnose-ME13253194270C01018577861117
fumaric acidFumaric acidME132530444972C00122390988245
galactonic acidGalactonic acidME132529128869C00880692399292
galactose-6-phosphateGalactose 6-phosphateME13252899058C00446828457387
gamma-glutamyl-valinegamma-GlutamylvalineME132527--761021345
gamma-tocopherolgamma-TocopherolME13252692729C024831026222223
gluconic acidGluconic acidME13252510690C00257693140333
glucoseGlucoseME132524107526C00031650726160
glucuronic acidGlucuronic acidME13252394715C00191666401333
glutamic acidGlutamic acidME13252233032C00025528717246
glutamineGlutamineME1325215961C00064600452156
glutaric acidGlutaric acidME132520743C00489422031158
glyceric acidGlyceric acidME132519--379389189
glycerolGlycerolME132518--346318205
glycerol-3-galactosideGalactosylglycerolME132517656504C05401803554204
glycerol-alpha-phosphatesn-Glycero-3-phosphateME132516754C00093591357299
glycineGlycineME132515750C00037368041174
glycolic acidGlycolic acidME132514757C00160227487177
glyoxalurea NIST-ME1325134157426-480421202
guanosineGuanosineME1325126802C00387955097324
heptadecanoic acid NISTMargaric acidME13251110465-738392117
hippuric acidHippuric acidME132510--637165174
histidineHistidineME1325096274C00135663393154
hydroxylamineHydroxylamineME132508787C00192250798146
hypoxanthineHypoxanthineME132507790C00262618133265
indole-3-acetateIndoleacetic acidME132506802C00954685195202
indole-3-lactateIndolelactic acidME13250592904C02043764543202
inosineInosineME1325046021C00294897806230
inosine 5'-monophosphateIMPME132503--1016825315
inositol myo-Myo-inositolME132502--733355305
inulobioseInulobioseME132501439552C01711930708204
isocitric acidIsocitric acidME132500--617706245
isoleucineIsoleucineME1324996306C00407359776158
isolinoleic acid NIST-ME1324983931-79462995
isothreonic acidD-Threonic acidME132497151152-489846292
kynurenineKynurenineME132496161166C00328769271218
lactamideLactamideME132495--265523232
lactic acidLactic acidME132494612C00186215380191
lathosterol NISTLathosterolME13249365728C011891095135255
lauric acidLauric acidME1324923893C02679548310117
leucineLeucineME132491--345709158
levanbioseLevanbioseME132490439555C01725938676217
levoglucosanGlucosanME1324892724705-569799204
lignoceric acidLignoceric acidME13248811197C08320977850117
linoleic acidLinoleic acidME1324875280450C01595777102337
linolenic acidOctadecatrienoic acidME1324865280934C06427779785108
lysineLysineME1324855962C00047662967156
lyxoseLyxoseME13248465550-540208217
maleimideMaleimideME13248310935C07272244928154
malic acidMalic acidME132482222656C00149461034233
malonic acidMalonic acidME132481867C04025305831147
maltoseMaltoseME1324806255C01971946060361
maltotrioseMaltotrioseME13247992146C018351177212204
mannitolMannitolME132478--665530103
methanolphosphateMethanolphosphateME13247713130-290941241
methionineMethionineME1324766137C00073483425176
methionine sulfoxideMethionine sulfoxideME132475158980C02989637775128
methylhexadecanoic acidMethylhexadecanoic acidME13247410465-750645117
myristic acidMyristic acidME13247311005C06424634543285
N-acetylglutamateN-Acetylglutamic acidME13247270914C00624477593158
N-acetylglycine NISTN-AcetylglycineME13247110972-356109174
N-acetylmannosamineN-Acetyl-mannosamineME132470--735289205
naproxenNaproxenME1324681302C01517736205185
nicotinic acidNicotinic acidME132467--353863180
N-methylalanineN-MethylalanineME1324695288725C02721286258130
octadecanolStearyl alcoholME1324668221D01924755073327
oleic acidOleic acidME1324655282749C01712780799339
ornithineOrnithineME1324646262C00077618525142
oxalic acidOxalic acidME132463971C00209259625147
oxoprolineOxoprolineME1324627405C01879489576156
palmitic acidPalmitic acidME132460985C00249713542313
palmitoleic acidPalmitoleic acidME132459445638C08362704757129
parabanic acid NISTParabanic acidME13245867126C00802464937100
paracetamolAcetaminophenME1324571983C06804538566206
p-cresolP-CresolME132461--280634165
pelargonic acidPelargonic acidME1324568158C01601399163117
phenylalaninePhenylalanineME1324556140C00079537502218
phenylethylaminePhenylethylamineME1324541001C05332512521174
phosphoethanolaminePhosphoethanolamineME1324531015C00346604454100
pipecolic acidPipecolic acidME132452--404019156
prolineProlineME132451145742C00148364232142
pseudo uridinePseudouridineME13245015047C02067813744217
pyrophosphatePyrophosphateME1324491023C0013327474110
pyruvic acidPyruvic acidME132448--208709174
quinic acidQuinic acidME1324476508C00296634218255
ribitolRibitolME132446827C00474575571217
saccharic acidGlucaric acidME13244533037C00818699250333
salicylaldehyde2-HydroxybenzaldehydeME1324446998C06202406706193
salicylic acidSalicylic acidME132443338C00805480445267
serineSerineME1324425951C00065391397204
shikimic acidShikimic acidME132441--609587204
sorbitolSorbitolME1324405780C00794669361319
stearic acidStearic acidME1324395281C01530787358117
stigmasterolStigmasterolME1324385280794C054421110434159
succinic acidSuccinic acidME132437--370724247
sucroseSucroseME1324365988C00089916949271
tagatoseD-TagatoseME132435--632392307
taurineTaurineME1324341123C00245556913326
threitolThreitolME132433169019-467314217
threonic acidThreonic acidME132432439535C01620497167292
threonineThreonineME1324316288C00188410027117
tocopherol alphaalpha-TocopherolME13243014985C024771067178237
trans-4-hydroxyprolinetrans-4-HydroxyprolineME1324295810C01157460567158
trihydroxypyrazine NISTTrihydroxypyrazineME13242820221599-505411344
tryptophanTryptophanME1324276305C00078781209202
tyrosineTyrosineME1324266057C00082670802218
ureaUreaME132425--337230171
uric acidUric acidME1324241175C00366730534441
uridineUridineME1324236029C00299856953258
valineValineME1324226287C00183309905144
xanthineXanthineME1324211188C00385702391353
xylitolXylitolME1324206912C00379566893217
xyloseXyloseME132419--543056217


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