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Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME614246----
1,3-Dimethyluric acid1,3-Dimethyluric acidME614244----
1,5-Anhydrosorbitol1,5-AnhydrosorbitolME614245----
2,6-Dihydroxybenzoic acid2,6-Dihydroxybenzoic acidME614247----
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME614248----
2-Ketobutyric acid3-Methyl pyruvic acidME614249----
2-Methylbutyrate2-Methylbutyric acidME614230----
2-Methylbutyrate- 6C13 NPH (ISTD)-ME614231----
2-Methylcitric acid2-Methylcitric acidME614250----
2-Pyrocatechuic acid2-Pyrocatechuic acidME614251----
3,7-Dimethyluric acid3,7-Dimethyluric acidME614252----
3-Aminoisobutanoic acid3-Aminoisobutanoic acidME614253----
3b-Hydroxy-5-cholenoic acid3beta-Hydroxy-5-cholenoic acidME614254----
3-Methyladipic acid3-Methyladipic acidME614255----
3-Methylhistidine3-MethylhistidineME614256----
3-Methylxanthine3-MethylxanthineME614257----
3-Oxocholic acid3-Dehydrocholic acidME614258----
3-Phosphoglyceric acid3-Phosphoglyceric acidME614259----
4-Hydroxycinnamic acidcis-p-Coumaric acidME614260----
5-Aminopentanoic acid5-Aminopentanoic acidME614261----
7a-Hydroxy-3-oxo-5b-cholanoic acid3-Ketochenodeoxycholic acidME614262----
7-Methylguanine7-MethylguanineME614263----
9-Methyluric acid9-Methyluric acidME614264----
AcetateAcetic acidME614222----
ACETATE - 6C13NPH (ISTD)-ME614223----
AdenineAdenineME614265----
AdenosineAdenosineME614266----
AlanylglycineAla-GlyME614267----
Allocholic acidAllocholic acidME614268----
Alpha-Linolenic acidalpha-Linolenic acidME614269----
Arachidic acidArachidic acidME614270----
Azelaic acidAzelaic acidME614271----
Behenic acidBehenic acidME614272----
Beta-Alaninebeta-AlanineME614273----
Beta-Glycerophosphoric acidsn-Glycero-2-phosphateME614274----
BetaineBetaineME614275----
Beta-Leucinebeta-LeucineME614276----
ButyrateButyric acidME614228----
Butyrate 6C13 NPH (ISTD)-ME614229----
Butyric acidButyric acidME614277----
Capric acidCapric acidME614278----
CaproateCaproic acidME614236----
Caproate_6C13 NPH (ISTD)Caproic acidME614237----
Caproic acidCaproic acidME614279----
Caprylic acidCaprylic acidME614280----
Cholic acidCholic acidME614281----
cis-Aconitic acidcis-Aconitic acidME614282----
Citric acidCitric acidME614283----
CitrullineCitrullineME614284----
CortisoneCortisoneME614285----
CreatinineCreatinineME614286----
CytidineCytidineME614288----
Cytidine monophosphateCMPME614287----
D-2-Hydroxyglutaric acidD-2-Hydroxyglutaric acidME614289----
D-AlanineD-AlanineME614290----
D-Alpha-aminobutyric acid2R-Aminobutyric acidME614291----
D-Aspartic acidD-Aspartic acidME614292----
Deoxycholic acidDeoxycholic acidME614294----
Deoxycholic acid glycine conjugateGlycodeoxycholic acidME614293----
DeoxyuridineDeoxyuridineME614295----
D-FructoseFructoseME614296----
D-Glucuronic acidGlucuronic acidME614297----
D-Glutamic acidD-Glutamic acidME614298----
DihydroxyacetoneDihydroxyacetoneME614299----
D-Lactic acidD-Lactic acidME614300----
D-LysineD-LysineME614301----
Dodecanoic acidLauric acidME614302----
D-RiboseRiboseME614304----
D-Ribose 5-phosphateRibose 5-phosphateME614303----
D-Ribulose 5-phosphateRibulose 5-phosphateME614305----
D-threo-Isocitric acidIsocitric acidME614306----
D-XylitolXylitolME614307----
Elaidic acidElaidic acidME614308----
Erucic acidcis-Erucic acidME614309----
Estradiolbeta-EstradiolME614310----
Fumaric acidFumaric acidME614311----
FurosemideFurosemideME614312----
Galacturonic acidGalacturonic acidME614313----
Glucose 6-phosphateGlucose 6-phosphateME614314----
GlyceraldehydeGlyceraldehydeME614315----
GlycerolGlycerolME614317----
Glycerol 3-phosphatesn-Glycero-3-phosphateME614316----
GlycineGlycineME614318----
Glycyrrhetinic acidGlycyrrhetinic acidME614319----
GuanineGuanineME614320----
GuanosineGuanosineME614321----
Heneicosanoic acidHeneicosylic acidME614322----
Heptadecanoic acidMargaric acidME614323----
Heptanoic-ME614238----
Heptanoic_6C13 NPH (ISTD)-ME614239----
HesperidinHesperidinME614324----
Hyodeoxycholic acidHyodeoxycholic acidME614325----
HypoxanthineHypoxanthineME614326----
Indoleacetic acidIndoleacetic acidME614327----
InosineInosineME614328----
IsobutyrateIsobutyric acidME614226----
Isobutyrate-6C13 NPH (ISTD)-ME614227----
Isocaproate (4-MVA) ISTD-ME614221----
Isocitric acidIsocitric acidME614329----
Isovalerate(3-MBA)-ME614232----
Isovalerate(3-MBA)-6C13 NPH (ISTD)-ME614233----
ISTD_13C5,15N1-Valine-ME614240----
ISTD_13C6-Leucine-ME614241----
ISTD_13C6-Sorbitol-ME614242----
Itaconic acidItaconic acidME614330----
L-AlanineAlanineME614331----
L-AlloisoleucineAlloisoleucineME614332----
L-ArabitolL-ArabitolME614333----
L-ArginineArginineME614334----
L-AsparagineAsparagineME614335----
L-Aspartic acidAspartic acidME614336----
L-CystineCystineME614337----
L-Glutamic acidGlutamic acidME614338----
Linoleic acidLinoleic acidME614339----
L-IsoleucineIsoleucineME614340----
Lithocholic acidLithocholic acidME614341----
L-LeucineLeucineME614342----
L-LysineLysineME614343----
L-Malic acidMalic acidME614344----
L-MethionineMethionineME614345----
L-NorleucineNorleucineME614346----
L-PhenylalaninePhenylalanineME614347----
L-ProlineProlineME614348----
L-SerineSerineME614349----
L-TryptophanTryptophanME614350----
L-TyrosineTyrosineME614351----
L-ValineValineME614352----
Malic acidMalic acidME614353----
Malonic acidMalonic acidME614354----
MannitolMannitolME614355----
Methionine sulfoxideMethionine sulfoxideME614356----
Methylmalonic acidMethylmalonic acidME614357----
myo-InositolMyo-inositolME614358----
Myristic acidMyristic acidME614359----
N-Acetylglutamic acidN-Acetylglutamic acidME614360----
N-AcetylhistamineN-AcetylhistamineME614361----
N-Acetylneuraminic acidN-Acetylneuraminic acidME614362----
Nicotinic acidNicotinic acidME614363----
Nonadecanoic acidNonadecylic acidME614364----
Nutriacholic acid7-Ketolithocholic acidME614365----
o-Cresolo-CresolME614366----
Octadecanedioic acidOctadecanedioic acidME614367----
Oleic acidOleic acidME614368----
OrnithineOrnithineME614369----
Orotic acidOrotic acidME614370----
Oxalacetic acidOxaloacetic acidME614371----
Oxalic acidOxalic acidME614372----
Oxoglutaric acid2-Oxoglutaric acidME614373----
Palmitic acidPalmitic acidME614374----
PC(14:0/14:0)PC 14:0/14:0ME614375----
PE(14:0/14:0)PE 14:0/14:0ME614376----
Pelargonic acidPelargonic acidME614377----
Pentadecanoic acidPentadecylic acidME614378----
Phosphoric acidPhosphoric acidME614379----
Phthalic acidPhthalic acidME614380----
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME614381----
Phytanic acidPhytanic acidME614382----
Pimelic acidPimelic acidME614383----
PropionatePropionic acidME614224----
Propionate 6C13NPH (ISTD)-ME614225----
PyridoxinePyridoxineME614384----
Pyrrolidonecarboxylic acidPyroglutamic acidME614385----
Pyruvic acidPyruvic acidME614386----
RibitolRibitolME614387----
(R)-lipoic acidLipoic acidME614243----
SerotoninSerotoninME614388----
SorbitolSorbitolME614389----
Stearic acidStearic acidME614390----
Succinic acidSuccinic acidME614391----
Sulfolithocholic acidLithocholic acid sulfateME614392----
TaurineTaurineME614393----
Taurocholic acidTaurocholic acidME614394----
Taurodeoxycholic acidTaurodeoxycholic acidME614395----
Tauroursodeoxycholic acidTauroursodeoxycholic acidME614396----
Undecanoic acidUndecylic acidME614397----
Ureidopropionic acidUreidopropionic acidME614398----
Uric acidUric acidME614399----
UridineUridineME614400----
Urocanic acidUrocanic acidME614401----
Ursodeoxycholic acidUrsodeoxycholic acidME614402----
Vaccenic acidcis-Vaccenic acidME614403----
ValerateValeric acidME614234----
Valerate-6C13 NPH (ISTD)-ME614235----
XanthineXanthineME614404----


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