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Analysis: GCMS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-hydroxybutanoic acid2-Hydroxybutyric acidME64127111266C05984258175131
2-hydroxyglutaric acid2-Hydroxyglutaric acidME64127243C02630506359129
alpha ketoglutaric acid2-Oxoglutaric acidME64128551C00026507734198
3-aminoisobutyric acid3-Aminoisobutanoic acidME64127664956C01205309799102
3-hydroxybutanoic acid3-Hydroxybutyric acidME641277441C05984278929191
5-aminovaleric acid5-Aminopentanoic acidME641280138C00431536304174
acetohydroxamic acidAcetohydroxamic acidME6412811990C06808222307190
acetophenone NISTAcetophenoneME6412827410C07113238719105
adipic acidAdipic acidME641283196C06104475399111
alanineAlanineME6412845950C00041243537116
tocopherolalpha-TocopherolME64139914985C024771067178237
aminomalonateAminomalonic acidME641286100714C00872455886218
arabinoseArabinoseME6412877044039C00216546892217
arabitolArabitolME641288827C01904566749103
arachidic acidArachidic acidME64128910467C06425856203117
arachidonic acidArachidonic acidME641290444899C0021983329291
arginine + ornithineArginineME6412916322C00062619420142
asparagineAsparagineME6412926267C00152553791116
aspartic acidAspartic acidME6412935960C00049480543232
behenic acidBehenic acidME6412948215C08281919675117
benzoic acidBenzoic acidME641295243C00180338043179
benzylalcoholBenzyl alcoholME641296244C00556281322165
beta-alaninebeta-AlanineME641297239C00099431950248
beta-gentiobiosebeta-GentiobioseME641298219994C08240967919204
caffeic acidCaffeic acidME6413001549111C01481748306219
cerotic acidCerotic acidME64130110469-1032431117
cholesterolCholesterolME6413025997C001871077630129
icosenoic acidcis-Gondoic acidME6413415282768-848697129
citric acidCitric acidME641303311C00158617288273
citrullineCitrullineME6413049750C00327622791256
creatinineCreatinineME641305588C00791502434115
cyano-L-alanineCyanoalanineME64130613538C02512404014141
cysteineCysteineME641307594C00097501345220
cystineCystineME641308595C00491804143218
fucose 1 + rhamnose 2D-FucoseME64131419466C01018577861117
dihydroabietic acidDihydroabietic acidME641309227277-849610239
isothreonic acidD-Threonic acidME641349151152C01620489846292
elaidic acidElaidic acidME641310965C01712780799339
erythritolErythritolME641311222285C00503471274205
ethanolamineEthanolamineME641312700C00189345242174
fructoseFructoseME6413135984C00095638631307
fucose 2FucoseME64131594270C01019584612117
fumaric acidFumaric acidME641316444972C00122390708245
galactoseGalactoseME6413186036C00124647787160
glycerol-3-galactoside NISTGalactosylglycerolME641329656504C05401803554204
galacturonic acidGalacturonic acidME64131984740C00333670193160
GABAgamma-Aminobutyric acidME641317119C00334488961174
gamma-tocopherolgamma-TocopherolME64132092729C024831026222223
gluconic acidGluconic acidME64132110690C00257693140333
levoglucosanGlucosanME6413552724705-569799204
glucoseGlucoseME6413225793C00031649920160
glucuronic acidGlucuronic acidME64132394715C00191666743333
glutamic acidGlutamic acidME64132433032C00025529370246
glutamineGlutamineME6413255961C00064600452156
glutaric acidGlutaric acidME641326743C00489422031158
glyceric acidGlyceric acidME641327439194C00258377001189
glycerolGlycerolME641328753C00116344223205
glycineGlycineME641331750C00037368041174
glycolic acidGlycolic acidME641332757C00160227487177
glycyl prolineGly-ProME6413333013625-692401174
guanineGuanineME641334764C00242744497352
guanosineGuanosineME6413356802C00387955097324
homoserineHomoserineME64133712647C00263444264128
hydrocinnamic acidHydrocinnamic acidME641338107C05629435417104
hydroxycarbamate NISTHydroxycarbamic acidME64133916639161-325357278
hydroxylamineHydroxylamineME641340787C00192255313146
3-hydroxypropionic acidHydroxypropionic acidME64127868152C01013269975177
indole-3-acetateIndoleacetic acidME641342802C00954685195202
indole-3-lactateIndolelactic acidME64134392904C02043764543202
inosineInosineME6413446021C00294897806217
inositol-4-monophosphateInositol 4-phosphateME6413466349C03546845491318
isoleucineIsoleucineME6413476306C00407358756158
2-ketoisocaproic acidKetoleucineME64127370C00233310629200
lactic acidLactic acidME641350107689C00186216442117
lanosterolLanosterolME641351856C017241128745109
lyxitolL-ArabitolME64135994154C00532575571217
lauric acidLauric acidME6413523893C02679547810117
leucineLeucineME6413536106C00123345953158
levanbioseLevanbioseME641354439555C01725938676217
lignoceric acidLignoceric acidME64135611197C08320977850117
linoleic acidLinoleic acidME6413575280450C01595777102337
lysineLysineME6413585962C00047663088156
maleimideMaleimideME64136110935C07272244928154
malateMalic acidME641360222656C00149462908233
heptadecanoic acidMargaric acidME64133610465-750645117
methanolphosphateMethanolphosphateME64136213130-290941241
methionineMethionineME6413636137C00073483425176
methionine sulfoxideMethionine sulfoxideME641364847C02989637775128
2-monopalmitinMG 0:0/16:0/0:0ME6412743084463-889972218
monomyristin NISTMG 14:0ME641365--838323343
monopalmitin-1-glycerideMG 16:0/0:0/0:0ME64136614900-901207371
1-monostearinMG 18:0/0:0/0:0ME641270107036D01947959625399
1-monooleinMG 18:1(9Z)/0:0/0:0ME6412695319879-952993129
inositol myo-Myo-inositolME641345892C00137729867305
myristic acidMyristic acidME64136711005C06424634543285
naphtaleneNaphthaleneME641368931C00829315496128
N-methylalanineN-MethylalanineME6413695288725C02721286258130
nonadecanoic acidNonadecylic acidME64137012591C16535822744117
oleic acidOleic acidME641372445639C01712778858339
ornithineOrnithineME6413736262C00077527822142
orotic acidOrotic acidME641374967C00295584723254
oxoprolineOxoprolineME6413757405C01879486399156
palatinosePalatinoseME6413764177368C01742976650217
palmitic acidPalmitic acidME641377985C00249713542313
palmitoleic acidPalmitoleic acidME641378445638C08362706298129
pelargonic acidPelargonic acidME6413798158C01601399163117
pentadecanoic acidPentadecylic acidME64138013849C16537674704132
phenylalaninePhenylalanineME6413816140C00079537760218
3-phenyllactic acidPhenyllactic acidME6412793848C05607516416193
phosphoric acidPhosphoric acidME6413821004C00009344674299
prolineProlineME641383145742C00148364232142
putrescinePutrescineME6413841045C00134587728174
pyruvatePyruvic acidME6413851060C00022211146174
ribitolRibitolME6413866912C00474572822217
riboseRiboseME6413875779C00121553411307
serineSerineME6413885951C00065394656204
shikimic acidShikimic acidME6413898742C00493610984204
beta-sitosterolSitosterolME64129922012C017531129771129
glycerol-alpha-phosphatesn-Glycero-3-phosphateME641330754C03189591357299
sorbitolSorbitolME641390453C00794667682103
spermidineSpermidineME6413911102C00315792258144
stearic acidStearic acidME6413925281C01530787358117
octadecanolStearyl alcoholME6413718221D01924755073327
succinic acidSuccinic acidME6413931110C00042370518147
sucroseSucroseME6413945988C00089915457271
taurineTaurineME6413951123C00245557250326
threitolThreitolME641396169019C16884467314217
threonic acidThreonic acidME641397151152C01620497167292
threonineThreonineME6413986288C00188409403117
trehaloseTrehaloseME6414007427C01083947837191
tryptophanTryptophanME6414016305C00078779834202
tyramineTyramineME6414025610C00483664065174
tyrosineTyrosineME6414036057C00082671085218
uracilUracilME6414041174C0010638590399
ureaUreaME6414051176C00086328046171
uric acidUric acidME6414061175C00366731185441
uridineUridineME6414076029C00299856953258
valineValineME6414086287C00183313224144
xanthineXanthineME6414091188C00385702391353
xyloseXyloseME641410135191C00181542808103
2-monostearin NIST-ME641275--948845218
isolinoleic acid NIST-ME6413483931-79462995


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