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Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10Z-Heptadecenoic acid10Z-Heptadecenoic acidME907840----
12-DHCA12-Ketochenodeoxycholic acidME907771----
12-KetoLCA12-Ketolithocholic acidME907772----
Indole-3-carboxaldehyde1H-Indole-3-carboxaldehydeME907885-C08493--
1-Methylhistidine1-MethylhistidineME907717-C01152--
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME907843----
2,3-Diaminopropionic acid2,3-Diaminopropionic acidME907718-C03401--
NorDCA23-Nordeoxycholic acidME907791----
alpha-Aminobutyric acid2-Aminobutyric acidME907723-C05145--
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME907892----
2-Hydroxybutyric acid2-Hydroxybutyric acidME907893-C05984--
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME907894-C02630--
alpha-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME907898----
Ethylmethylacetic acid2-Methylbutyric acidME907943-C18319--
Oxoadipic acid2-Oxoadipic acidME907916-C00322--
Oxoglutaric acid2-Oxoglutaric acidME907917-C00026--
2-Phenylpropionate2-Phenylpropanoic acidME907929----
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid3-(3-Hydroxyphenyl)-3-hydroxypropanoic acidME907930----
3-Hydroxybutyric acid3-Hydroxybutyric acidME907895-C01089--
3-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME907939----
3-Hydroxyphenylacetic acid3-Hydroxyphenylacetic acidME907925----
Indole-3-propionic acid3-Indolepropionic acidME907887----
3-Methyl-2-oxopentanoic acid3-Methyl-2-oxovaleric acidME907896-C00671--
3-Methyladipic acid3-Methyladipic acidME907845----
4-Aminohippuric acid4-Aminohippuric acidME907764-D06890--
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME907765-C00156--
p-Hydroxymandelic acid4-Hydroxymandelic acidME907927-C11527--
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME907928-C00642--
4-Methylhexanoic acid4-Methylhexanoic acidME907846----
5-Aminolevulinic acid5-Amino-levulinic acidME907720-C00430--
5Z-Dodecenoic acid5-Dodecenoic acidME907847----
7-DHCA7-Ketodeoxycholic acidME907773----
7-KetoLCA7-Ketolithocholic acidME907774----
Acetic acidAcetic acidME907940-C00033--
Adipic acidAdipic acidME907850-C06104--
Adrenic acidAdrenic acidME907851-C16527--
AlanineAlanineME907722-C00041--
alpha-Linolenic acidalpha-Linolenic acidME907852-C06427--
aMCAalpha-Muricholic acidME907775-C17647--
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME907749-C04148--
Aminocaproic acidAminocaproic acidME907724-C02378--
AMPAMPME907891-C00020--
AnserineAnserineME907921-C01262--
Arachidonic acidArachidonic acidME907853-C00219--
ArginineArginineME907725-C00062--
AsparagineAsparagineME907726-C00152--
Aspartic acidAspartic acidME907727-C00049--
Azelaic acidAzelaic acidME907854-C08261--
Benzoic acidBenzoic acidME907900-C00180--
beta-Alaninebeta-AlanineME907728-C00099--
bMCAbeta-Muricholic acidME907778-C17726--
Butyric acidButyric acidME907941-C00246--
Capric acidCapric acidME907855-C01571--
Caproic acidCaproic acidME907942-C01585--
Caprylic acidCaprylic acidME907856-C06423--
DecanoylcarnitineCAR 10:0ME907823----
DodecanoylcarnitineCAR 12:0ME907824----
TetradecanoylcarnitineCAR 14:0ME907836----
PalmitoylcarnitineCAR 16:0ME907833-C02990--
StearylcarnitineCAR 18:0ME907835----
OleylcarnitineCAR 18:1(9Z)ME907832----
LinoleylcarnitineCAR 18:2ME907828----
AcetylcarnitineCAR 2:0ME907822-C02571--
PropionylcarnitineCAR 3:0ME907834-C03017--
2-MethylbutyroylcarnitineCAR 4:0;2MeME907820----
IsovalerylcarnitineCAR 4:0;3MeME907826----
ValerylcarnitineCAR 5:0ME907837----
OctanoylcarnitineCAR 8:0ME907831-C02838--
MalonylcarnitineCAR DC3:0ME907829----
MethylmalonylcarnitineCAR DC3:0;2MeME907830----
GlutarylcarnitineCAR DC5:0ME907825----
L-CarnitineCarnitineME907827-C00318--
CACholic acidME907780-C00695--
4-Hydroxyprolinecis-4-HydroxyprolineME907719-C01157--
Aconitic acidcis-Aconitic acidME907897-C00417--
Citraconic acidCitraconic acidME907857-C02226--
Citramalic acidCitramalic acidME907858-C00815--
Citric acidCitric acidME907901-C00158--
CitrullineCitrullineME907729-C00327--
CreatineCreatineME907730-C00300--
2-Butenoic acidCrotonic acidME907844-C01771--
DCADeoxycholic acidME907781-C04483--
DCA-3SDeoxycholic acid 3-sulfateME907782----
beta-D-FucoseD-FucoseME907801-C02095--
DHADHAME907859-C06429--
Dihomo-gamma-linolenic acidDihomo-gamma-linolenic acidME907860-C03242--
DimethylglycineDimethylglycineME907731-C01026--
DPADPAME907862-C16513--
EPAEPAME907864-C06428--
FructoseFructoseME907802-C02336--
Fructose 6-phosphateFructose 6-phosphateME907803-C00085--
Fumaric acidFumaric acidME907902-C00122--
GABAgamma-Aminobutyric acidME907732-C00334--
gamma-Linolenic acidgamma-Linolenic acidME907865-C06426--
GlutamylalanineGlu-AlaME907922----
Glucaric acidGlucaric acidME907804-C00818--
GluconolactoneGluconolactoneME907805-C00198--
GlucoseGlucoseME907806-C00221--
Glucose 6-phosphateGlucose 6-phosphateME907807-C00092--
Glutaconic acidGlutaconic acidME907903-C02214--
Glutamic acidGlutamic acidME907733-C00025--
GlutamineGlutamineME907734-C00064--
Glutaric acidGlutaric acidME907904-C00489--
GlyceraldehydeGlyceraldehydeME907808-C02154--
Glyceric acidGlyceric acidME907809-C00258--
GlycineGlycineME907735-C00037--
GDCAGlycodeoxycholic acidME907783-C05464--
Glycolic acidGlycolic acidME907905-C00160--
GlycyleucineGly-LeuME907923----
GlycylprolineGly-ProME907924----
Guanidoacetic acidGuanidoacetic acidME907906-C00581--
Heptanoic acidHeptylic acidME907866-C17714--
Hippuric acidHippuric acidME907766-C01586--
HistidineHistidineME907736-C00135--
Homovanillic acidHomovanillic acidME907926-C05582--
Hydrocinnamic acidHydrocinnamic acidME907931-C05629--
Hydroxyphenyllactic acidHydroxyphenyllactic acidME907932-C03672--
Hydroxypropionic acidHydroxypropionic acidME907907-C01013--
HCAHyocholic acidME907784----
HDCAHyodeoxycholic acidME907785----
Imidazolepropionic acidImidazolepropionic acidME907884-C20522--
Indole-3-carboxylic acidIndole-3-carboxylic acidME907886-C19837--
Indoleacetic acidIndoleacetic acidME907889-C00954--
Indolelactic acidIndolelactic acidME907890-C02043--
Indole-3-pyruvic acidIndolepyruvic acidME907888-C00331--
isoalloLCAIsoallolithocholic acidME907786----
Isobutyric acidIsobutyric acidME907944-C02632--
Isocaproic acidIsocaproic acidME907945----
Isocitric acidIsocitric acidME907908-C00311--
bHDCAIsohyodeoxycholic acidME907777----
IsoleucineIsoleucineME907737-C00407--
isoLCAIsolithocholic acidME907787-C17658--
bUDCAIsoursodeoxycholic acidME907779-C17662--
Isovaleric acidIsovaleric acidME907946-C08262--
Itaconic acidItaconic acidME907867-C00490--
alpha-Ketoisovaleric acidKetoisovaleric acidME907899-C00141--
KetoleucineKetoleucineME907909-C00233--
Lactic acidLactic acidME907910-C00186--
LactuloseLactuloseME907810-C07064--
Dodecanoic acidLauric acidME907861-C02679--
LeucineLeucineME907738-C00123--
Linoleic acidLinoleic acidME907868-C01595--
LCALithocholic acidME907788-C03990--
LCA-3SLithocholic acid 3-sulfateME907789----
RibuloseL-RibuloseME907816-C00309--
LysineLysineME907739-C00047--
Maleic acidMaleic acidME907911-C01384--
Malic acidMalic acidME907912-C00149--
Malonic acidMalonic acidME907913-C00383--
Mandelic acidMandelic acidME907761-C01984--
MelibioseMelibioseME907812-C05402--
MethionineMethionineME907740-C00073--
MethylcysteineMethylcysteineME907741----
Methylglutaric acidMethylglutaric acidME907869----
Methylmalonic acidMethylmalonic acidME907914-C02170--
Methylsuccinic acidMethylsuccinic acidME907870----
Myristic acidMyristic acidME907871-C06424--
Myristoleic acidMyristoleic acidME907872-C08322--
N-Acetyaspartic acidN-Acetylaspartic acidME907742-C01042--
N-Acetyl-D-glucosamineN-AcetylglucosamineME907813-C00140--
N-AcetylglutamineN-AcetylglutamineME907743----
AcetylglycineN-AcetylglycineME907721----
N-AcetylhistidineN-AcetylhistidineME907744-C02997--
N-Acetylneuraminic acidN-Acetylneuraminic acidME907814-C00270--
N-AcetylserineN-AcetylserineME907745----
N-AcetyltryptophanN-Acetyl-tryptophanME907746----
Nicotinic acidNicotinic acidME907936-C00253--
N-MethylnicotinamideN-MethylnicotinamideME907937----
10Z-Nonadecenoic acidNonadeca-10Z-enoic acidME907841----
NorCANorcholic acidME907790----
Oleic acidOleic acidME907873-C00712--
wMCAomega-Muricholic acidME907800-C17727--
OrnithineOrnithineME907748-C00077--
Oxalic acidOxalic acidME907915-C00209--
Palmitelaidic acidPalmitelaidic acidME907874----
Palmitoleic acidPalmitoleic acidME907875-C08362--
Pelargonic acidPelargonic acidME907876-C01601--
Pentadecanoic acidPentadecylic acidME907877-C16537--
Phenylacetic acidPhenylacetic acidME907762-C07086--
PhenylalaninePhenylalanineME907750-C00079--
Phenyllactic acidPhenyllactic acidME907933----
Phenylpyruvic acidPhenylpyruvic acidME907763-C00166--
Phthalic acidPhthalic acidME907767-C01606--
Picolinic acidPicolinic acidME907938-C10164--
Pimelic acidPimelic acidME907878-C02656--
Pipecolic acidPipecolic acidME907751-C00408--
ProlineProlineME907752-C00148--
Propionic acidPropionic acidME907947-C00163--
Protocatechuic acidProtocatechuic acidME907768-C00230--
Pyroglutamic acidPyroglutamic acidME907753-C01879--
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME907918-C05942--
Pyruvic acidPyruvic acidME907919-C00022--
RhamnoseRhamnoseME907815-C00507--
Ricinoleic acidRicinoleic acidME907879-C08365--
Salicyluric acidSalicyluric acidME907769-C07588--
SarcosineSarcosineME907754-C00213--
Sebacic acidSebacic acidME907880-C08277--
SerineSerineME907755-C00065--
Suberic acidSuberic acidME907881-C08278--
Succinic acidSuccinic acidME907920-C00042--
TCDCATaurochenodeoxycholic acidME907794-C05465--
TCATaurocholic acidME907793-C05122--
TDCATaurodeoxycholic acidME907795-C05463--
THDCATaurohyodeoxycholic acidME907796----
TwMCATauro-omega-muricholic acidME907798----
TUDCATauroursodeoxycholic acidME907797----
Threonic acidThreonic acidME907817-C01620--
ThreonineThreonineME907756-C00188--
ThyronineThyronineME907757----
Cinnamic acidtrans-Cinnamic acidME907934-C10438--
Tridecanoic acidTridecylic acidME907882-C17076--
TryptophanTryptophanME907758-C00078--
TyrosineTyrosineME907759-C00082--
Undecanoic acidUndecylic acidME907883-C17715--
UDCAUrsodeoxycholic acidME907799-C07880--
Valeric acidValeric acidME907948-C00803--
ValineValineME907760-C00183--
Vanillic acidVanillic acidME907770-C06672--
XyloseXyloseME907818-C00181--
XyluloseXyluloseME907819-C00310--
10,13-Nonadecadienoic acid-ME907838----
10-Trans-Heptadecenoic acid-ME907839----
2,2-Dimethyladipic acid-ME907842----
3-Hydroxylisovalerylcarnitine-ME907821----
9E-tetradecenoic acid-ME907848----
9-Pentadecenoic acid-ME907849----
bDCA-ME907776----
Coumaric acid/4-Hydroxycinnamic acid-ME907935----
DPAn-6-ME907863----
Maltose/Lactose-ME907811----
N-Acetytyrosine-ME907747-C01657--
TaMCA/TbMCA-ME907792----


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