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Analysis: Reversed phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
OrnithineOrnithineME4425726262-0.845-
5-Hydroxylysine5-HydroxylysineME4425593032849-0.848-
HistidineHistidineME4425706274-0.871-
LysineLysineME4425695962-0.881-
CarnosineCarnosineME442576439224-0.888-
AnserineAnserineME442557112072-0.896-
ArginineArginineME4425716322-0.941-
Caprylic acidCaprylic acidME442688379-10.014-
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME44261947-10.03-
KetoleucineKetoleucineME44261870-10.132-
Phenylpyruvic acidPhenylpyruvic acidME442620997-10.145-
Cholic acidCholic acidME442684221493-10.438-
Pelargonic acidPelargonic acidME4426918158-10.681-
CAR 12:0CAR 12:0ME442731168381-10.747-
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME44269412544-10.75648333-
Glycodeoxycholic acidGlycodeoxycholic acidME4426953035026-10.985-
10-Hendecenoic acid10-Hendecenoic acidME4426935634-11.058-
Chenodeoxycholic acidChenodeoxycholic acidME44269010133-11.097-
Capric acidCapric acidME4426922969-11.147-
CAR 14:0CAR 14:0ME44273253477791-11.36-
5-Dodecenoic acid5-Dodecenoic acidME4426965312378-11.489-
CAR 18:2CAR 18:2ME44273551000598-11.586-
CAR 16:0CAR 16:0ME44273311953816-11.816-
Lauric acidLauric acidME4426973893-11.852-
CAR 18:0CAR 18:0ME44273652922056-11.877-
CAR 18:1CAR 18:1ME44273446907933-11.877-
Myristoleic acidMyristoleic acidME4426985281119-12-
Myristelaidic acid-ME4425685312402-12.073-
EPAEPAME442706446284-12.28-
alpha-Linolenic acidalpha-Linolenic acidME4427025280934-12.332-
gamma-Linolenic acidgamma-Linolenic acidME4427035280933-12.416-
Myristic acidMyristic acidME44269911005-12.487-
DHADHAME442709445580-12.524-
Palmitoleic acidPalmitoleic acidME442701445638-12.5881-
Arachidonic acidArachidonic acidME442707444899-12.653-
DPADPAME4427105497182-12.692-
Linoleic acidLinoleic acidME4427045280450-12.73-
Pentadecylic acidPentadecylic acidME44270013849-12.81-
10Z-Heptadecenoic acid10Z-Heptadecenoic acidME4425615312435-12.878-
Bishomo-gamma-linolenic acidDihomo-gamma-linolenic acidME4427085280581-12.878-
Linoelaidic acidLinoelaidic acidME4427055282457-12.878-
Docosapentaenoic acid (22n-6)Docosapentaenoic acid (22n-6)ME4427116441454-12.897-
Adrenic acidAdrenic acidME4427125497181-13.067-
Palmitic acidPalmitic acidME442715985-13.125-
6-Octadecylenic acid6-Octadecylenic acidME4427185281125-13.198-
Oleic acidOleic acidME442717445639-13.198-
Margaric acidMargaric acidME44271610465-13.428-
Nonadeca-10Z-enoic acidNonadeca-10Z-enoic acidME4427195312513-13.461-
GlycineGlycineME442622750-1.48-
SerineSerineME4425795951-1.509-
GlutamineGlutamineME4425735961-1.609-
SarcosineSarcosineME4425621088-1.641-
DimethylglycineDimethylglycineME442577673-1.76-
Guanidoacetic acidGuanidoacetic acidME442623763-1.793-
CitrullineCitrullineME4425659750-1.809-
CarnitineCarnitineME44256410917-1.873-
ThreonineThreonineME4425806288-1.892-
gamma-Aminobutyric acidgamma-Aminobutyric acidME442578119-1.899-
HomoserineHomoserineME44258112647-1.899-
AlanineAlanineME4425665950-1.906-
GluconolactoneGluconolactoneME4426247027-1.985-
Ribonic acidRibonic acidME4425585460677-2.019-
CreatineCreatineME442582586-2.062-
Erythronic acidErythronic acidME4426312781043-2.162-
Threonic acidThreonic acidME4425835460407-2.164-
GMPGMPME442587135398631-2.289-
N-Acetyl-alpha-neuraminic acidN-Acetylneuraminic acidME442635444885-2.331-
AMPAMPME4425866083-2.414-
ProlineProlineME442628145742-2.45-
Glyceric acidGlyceric acidME442627439194-2.453-
CystineCystineME44257567678-2.457-
2S-Aminobutyric acid2S-Aminobutyric acidME44262680283-2.667-
N-AcetylserineN-AcetylserineME44263265249-2.743-
Gly-ProGly-ProME4425853013625-2.75-
Pipecolic acidPipecolic acidME442630439227-2.786-
Glycolic acidGlycolic acidME442625757-2.804-
Shikimic acidShikimic acidME4426338742-2.86-
N-AcetylglutamineN-AcetylglutamineME44263425561-2.867-
CAR 2:0CAR 2:0ME4427207045767-2.871-
N-AcetylglycineN-AcetylglycineME44262910972-2.934-
Hydroxypropionic acidHydroxypropionic acidME44258468152-3.012-
MaltotrioseMaltotrioseME442640439586-3.192-
MethylcysteineMethylcysteineME44259124417-3.232-
3,4-Dihydroxyhydrocinnamic acid3,4-Dihydroxyhydrocinnamic acidME442594348154-3.317-
ValineValineME4426376287-3.35-
Glutamic acidGlutamic acidME44257433032-3.367-
Pyroglutamic acidPyroglutamic acidME4426387405-3.367-
MaltoseMaltoseME442567--3.371-
LactuloseLactuloseME44256311333-3.382-
TyrosineTyrosineME4425936057-3.405-
3,4-Dihydroxymandelic acid3,4-Dihydroxymandelic acidME44255685782-3.428-
AsparagineAsparagineME4425956267-3.447-
Lactic acidLactic acidME442589107689-3.448-
5-Amino-levulinic acid5-Amino-levulinic acidME442555137-3.453-
GlucoseGlucoseME4426395793-3.459-
1H-Indole-3-acetamide1H-Indole-3-acetamideME442588397-3.528-
Acetic acidAcetic acidME442636176-3.56-
NorvalineNorvalineME442740439575-3.637-
3-Hydroxybutyric acid3-Hydroxybutyric acidME442641441-3.647-
MethionineMethionineME4426426137-3.703-
CAR 3:0CAR 3:0ME442721188824-3.724-
CAR 4:0;OH,MeCAR 4:0;OH,MeME44272671464474-3.766-
Glutaconic acidGlutaconic acidME4426465280498-3.862-
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME442654439174-3.893-
FructoseFructoseME4426535984-3.907-
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME44264311671-3.982-
XyloseXyloseME442649135191-3.989-
3-Aminobenzoic acid-ME4425927419-3.997-
Nicotinic acidNicotinic acidME442590938-4.085-
IsoleucineIsoleucineME4426476306-4.211-
D-RibuloseD-RibuloseME442650151261-4.276-
XyluloseXyluloseME4426515289590-4.276-
RhamnoseRhamnoseME44265225310-4.348-
3-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME44264569362-4.369-
LeucineLeucineME4426486106-4.38-
2-Hydroxybutyric acid2-Hydroxybutyric acidME44264411266-4.405-
CAR 4:0CAR 4:0ME442723213144-4.462-
Propionic acidPropionic acidME4426551032-4.476-
KynurenineKynurenineME442597161166-4.534-
MelatoninMelatoninME442554896-4.612-
NorleucineNorleucineME44265721236-4.612-
Aspartic acidAspartic acidME4425985960-4.737-
Homovanillic acidHomovanillic acidME4426581738-4.777-
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid3-(3-Hydroxyphenyl)-3-hydroxypropanoic acidME442659102959-4.819-
GlyceraldehydeGlyceraldehydeME44265679014-4.848-
PhenylalaninePhenylalanineME4425966140-4.876-
TryptophanTryptophanME4426626305-5.005-
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME442661127-5.029-
Aminoadipic acidAminoadipic acidME442599469-5.035-
CAR DC3:0CAR DC3:0ME44272222833583-5.045-
Glucaric acidGlucaric acidME44260033037-5.095-
N-AcetylalanineN-AcetylalanineME44260588064-5.135-
2-Furoic acid2-Furoic acidME4426606919-5.169-
CAR 4:0;2MeCAR 4:0;2MeME4427246426901-5.219-
CAR DC5:0CAR DC5:0ME44272753481622-5.287-
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME442602135-5.312-
Isobutyric acidIsobutyric acidME4426646590-5.333-
CAR 4:0;3MeCAR 4:0;3MeME442725169235-5.379-
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME442601853180-5.429-
Butyric acidButyric acidME442663264-5.523-
Glucose 6-phosphateGlucose 6-phosphateME4427395958-5.523-
N-Acetylaspartic acidN-Acetylaspartic acidME44260765065-5.712-
Fructose 6-phosphateFructose 6-phosphateME442737440641-5.716-
Hippuric acidHippuric acidME442604464-5.752-
Malic acidMalic acidME442606222656-5.787-
alpha-N-Phenylacetylglutaminealpha-N-PhenylacetylglutamineME44266792258-5.83-
Ribose 5-phosphateRibose 5-phosphateME442738439167-5.88-
ortho-Hydroxyphenylacetic acid-ME44260311970-5.905-
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME44266511914-5.93-
Malonic acidMalonic acidME442666867-6.045-
Citramalic acidCitramalic acidME442714441696-6.052-
Succinic acidSuccinic acidME4427131110-6.087-
Methylmalonic acidMethylmalonic acidME442621487-6.091-
2-Methylbutanoic acid-ME4426088314-6.266-
cis-/trans-Aconitic acid-ME442613--6.352-
CAR 6:0CAR 6:0ME4427283246938-6.365-
Methylsuccinic acidMethylsuccinic acidME44267310349-6.439-
Benzoic acidBenzoic acidME442609243-6.458-
Isovaleric acidIsovaleric acidME44266810430-6.486-
Oxalic acidOxalic acidME442671971-6.547-
Adipic acidAdipic acidME442674196-6.605-
2-Methyl-4-pentenoic acid2-Methyl-4-pentenoic acidME442560549519-6.655-
Fumaric acidFumaric acidME442612444972-6.769-
Maleic acidMaleic acidME442672444266-6.776-
Phthalic acidPhthalic acidME4426751017-6.776-
Phenyllactic acidPhenyllactic acidME442670444718-6.816-
Indoleacetic acidIndoleacetic acidME442611802-6.829-
Phenylacetic acidPhenylacetic acidME442610999-6.876-
N-MethylnicotinamideN-MethylnicotinamideME44266964950-6.88-
Pimelic acidPimelic acidME442676385-6.957-
3-Indolepropionic acid3-Indolepropionic acidME4426143744-7.371-
Suberic acidSuberic acidME44267810457-7.375-
Isocitric acidIsocitric acidME4426805318532-7.382-
Citric acidCitric acidME442679311-7.693-
Azelaic acidAzelaic acidME4426162266-7.886-
Caproic acidCaproic acidME4426778892-7.9-
CAR 8:0CAR 8:0ME44272911953814-8.1-
Pyruvic acidPyruvic acidME4426821060-8.488-
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME442615979-8.806-
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME442683387316-8.965-
Heptylic acidHeptylic acidME4426818094-9.004-
Ketoisovaleric acidKetoisovaleric acidME44261749-9.489-
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME44268712310288-9.581-
Oxoglutaric acid2-Oxoglutaric acidME44268551-9.587-
CAR 10:0CAR 10:0ME44273011953821-9.726-
Isoursodeoxycholic acidIsoursodeoxycholic acidME442689127601-9.759-
Glycocholic acidGlycocholic acidME44268610140-9.961-


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