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Analysis: GC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
phosphatePhosphoric acidME4732081004C00009-314
pyrophosphatePyrophosphateME4732021023C00013-110
adenosine-5-monophosphateAMPME4732926083C00020-315
glutamic acidGlutamic acidME47326033032C00025-246
alpha-ketoglutarate2-Oxoglutaric acidME47328951C00026-198
glycineGlycineME473254750C00037-248
alanineAlanineME4732915950C00041-116
succinic acidSuccinic acidME4731951110C00042-247
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME473186445675C00043-226
lysineLysineME4732325962C00047-156
aspartic acidAspartic acidME4732845960C00049-232
glutathioneGlutathioneME473258124886C00051-213
cytidine-5-monophosphateCMPME4732756131C00055-243
sulfuric acidTG 16:0_18:1_18:1ME4731931118C00059-227
glutamineGlutamineME4732595961C00064-155
serineSerineME4731995951C00065-218
ornithineOrnithineME47321888747248C00077-142
tryptophanTryptophanME4731896305C00078-202
phenylalaninePhenylalanineME4732096140C00079-218
tyrosineTyrosineME4731886057C00082-218
ureaUreaME4731841176C00086-189
sucroseSucroseME4731945988C00089-271
glucose-6-phosphateGlucose 6-phosphateME4732615958C00092-387
cysteineCysteineME4732765862C00097-220
beta-alaninebeta-AlanineME473282239C00099-248
glucose-1-phosphateGlucose 1-phosphateME47326265533C00103-217
uracilUracilME4731851174C00106-241
glycerolGlycerolME473256753C00116-205
riboseRiboseME4732005779C00121-217
fumaric acidFumaric acidME473267444972C00122-245
leucineLeucineME4732346106C00123-158
inosine 5'-monophosphateIMPME4732428582C00130-169
myo-inositolMyo-inositolME473225892C00137-305
putrescinePutrescineME4732031045C00138-174
prolineProlineME473206145742C00148-142
asparagineAsparagineME4732856267C00152-188
nicotinamideNiacinamideME473222936C00153-179
citric acidCitric acidME473279311C00158-273
UDP-glucuronic acidUDP-glucuronic acidME47318717473C00167-217
benzoic acidBenzoic acidME473283243C00180-179
valineValineME4731826287C00183-144
cholesterolCholesterolME4732805997C00187-129
threonineThreonineME4731906288C00188-218
ethanolamineEthanolamineME473270700C00189-174
hydroxylamineHydroxylamineME473246787C00192-146
gluconic acid lactoneGluconolactoneME4732647027C00198-220
maltoseMaltoseME473229439186C00208-204
oxalic acidOxalic acidME473217971C00209-190
adenosineAdenosineME47329360961C00212-236
arachidonic acidArachidonic acidME473286444899C00219-91
glucoseGlucoseME47326364689C00221-319
guanineGuanineME473253764C00242-352
taurineTaurineME4731921123C00245-326
palmitic acidPalmitic acidME473215985C00249-313
glyceric acidGlyceric acidME473257439194C00258-189
hypoxanthineHypoxanthineME473245790C00262-265
inosineInosineME4732436021C00294-230
uridineUridineME4731836029C00299-217
citrullineCitrullineME4732789750C00327-157
phosphoethanolaminePhosphoethanolamineME4732071015C00346-299
guanosineGuanosineME4732526802C00387-324
hexitolSorbitolME473249453C00392-217
mannitolMannitolME4732286251C00392-319
isoleucineIsoleucineME4732406306C00407-158
ribitolRibitolME473201827C00474-217
erythritolErythritolME473271222285C00503-217
lyxitolL-ArabitolME473231439255C00532-217
noradrenalineXi-NorepinephrineME473221439260C00547-174
3-phosphoglycerate3-Phosphoglyceric acidME473295724C00597-227
isothreonic acidD-Threonic acidME473239151152C00639-292
malic acidMalic acidME473230525C00711-233
oleic acidOleic acidME473219445639C00712-339
squaleneSqualeneME473197638072C00751-95
creatinineCreatinineME473277588C00791-115
sorbitolSorbitolME4731985780C00794-217
gluconic acidGluconic acidME4732656857417C00800-333
parabanic acid NISTParabanic acidME47321267126C00802-100
aminomalonateAminomalonic acidME473288100714C00872-218
alpha-aminoadipic acidalpha-Aminoadipic acidME47329092136C00956-260
4-hydroxybutyric acid4-Hydroxybutyric acidME47329410413C00989-233
N-acetylaspartic acidN-Acetylaspartic acidME47322365065C01042-158
3-hydroxybutyric acid3-Hydroxybutyric acidME47329692135C01089-191
lactic acidLactic acidME473237612C01432-191
galactitolGalactitolME4732665460044C01507-319
stearic acidStearic acidME4731965281C01530-117
linoleic acidLinoleic acidME4732335280450C01595-150
pelargonic acidPelargonic acidME4732118158C01601-117
threonic acidThreonic acidME4731915460407C01620-292
oxoprolineOxoprolineME4732167405C01879-156
1-monopalmitinMG 16:0/0:0/0:0ME47330314900C01885-129
pseudo uridinePseudouridineME47320415047C02067-217
fructoseFructoseME473269439709C02336-307
propane-1,3-diol NISTPropane-1,3-diolME47320510442C02457-177
2-hydroxyglutaric acid2-Hydroxyglutaric acidME47329943C02630-247
lauric acidLauric acidME4732353893C02679-117
2-aminobutyric acid2-Aminobutyric acidME4733006657C02721-130
hexose-6-phosphateHexose 6-phosphateME473248208C02965-387
beta-glycerolphosphatesn-Glycero-2-phosphateME4732812526C02979-243
glycerol-alpha-phosphatesn-Glycero-3-phosphateME473255754C03189-357
inositol-4-monophosphateInositol 4-phosphateME473241440043C03546-315
3-aminoisobutyric acid3-Aminoisobutanoic acidME47329764956C05145-248
fructose-6-phosphateFructose 6-phosphateME473268440641C05345-315
dehydroascorbic acidL-Dehydroascorbic acidME473274440667C05422-173
myristic acidMyristic acidME47322411005C06424-285
arachidic acidArachidic acidME47328710467C06425-117
docosahexaenoic acidDocosahexaenoic acidME473272445580C06429-91
lactuloseLactuloseME47323611333C07064-204
palmitoleic acidPalmitoleic acidME473214445638C08362-311
pantothenic acidPantothenic acidME4732136613C12276-291
dihydrocholesterolDihydrocholesterolME47327366066C12978-215
pentadecanoic acidPentadecylic acidME47321013849C16537-117
1-monostearinMG 18:0/0:0/0:0ME47330224699D01947-203
1,2-anhydro-myo-inositol NIST1,2-Anhydro-myo-inositolME473305119054--318
1-monooleinMG 18:1(9Z)/0:0/0:0ME4733045283468--129
2,5-dihydroxypyrazine NIST2,5-DihydroxypyrazineME47330123368901--241
2-monooleinMG 0:0/18:1(9Z)/0:0ME4732985319879--129
heptadecanoic acidMargaric acidME47325110465--117
hexadecaneHexadecaneME47325011006--85
hydroxycarbamate NISTHydroxycarbamic acidME47324716639161--278
indole-3-propionic acid3-Indolepropionic acidME473244---202
keto-hexonic acid-ME47323850--349
methanolphosphateMethanolphosphateME47322713130--241
methionineMethionineME473226---176
octadecanolStearyl alcoholME4732208221--327


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