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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2-Hydroxycinnamic acidtrans-o-Coumaric acidME400248637540C017721.668-
2-Piperidinone2-PiperidinoneME40021312665-3.038-
7-Methylguanosine7-MethylguanosineME400232445404-2.075-
AcetylcholineAcetylcholineME400236187C019960.945-
AdenosineAdenosineME40023060961C002122.185-
Aminosalicylic acidAminosalicylic acidME4002414075-3.134-
ArginineArginineME4002476322C000620.831-
BetaineBetaineME400216248C007190.866-
CAR 10:0CAR 10:0ME40025110245190-5.03-
CAR 2:0CAR 2:0ME4002177045767C0025711.293-
CAR 3:0CAR 3:0ME40025018824C030172.531-
CarnitineCarnitineME40021410917C003180.886-
CytidineCytidineME4002466175C004751.206-
CytosineCytosineME400245597C003801.205-
D-TryptophanD-TryptophanME4002399060C005253.197-
GlutamineGlutamineME4002285961C000640.864-
GlutathioneGlutathioneME400234124886C000511.273-
GuanineGuanineME400227764C002422.252-
GuanosineGuanosineME4002266802C003872.252-
HistidineHistidineME4002436274C001350.833-
HydroxyprolineHydroxyprolineME4002255810C011570.865-
HypoxanthineHypoxanthineME400242790C002621.276-
Indoleacetic acidIndoleacetic acidME400235802C009543.841-
Indolelactic acidIndolelactic acidME400222676157C020433.675-
InosineInosineME4002296021C002942.23-
Kynurenic acidKynurenic acidME4002183845C017173.226-
KynurenineKynurenineME400220161166C003282.96-
N-Acetylaspartic acidN-Acetylaspartic acidME40025365065C010421.265-
N-AcetylmethionineN-AcetylmethionineME400224-C027123.271-
NiacinamideNiacinamideME400240936C001531.361-
Nicotinic acidNicotinic acidME400223938C002531.275-
NorspermidineNorspermidineME4002555942C033750.705-
Oxidised glutathioneOxidized glutathioneME40025665359C001271.772-
Pantothenic acidPantothenic acidME4002446613C008643.049-
PhenylalaninePhenylalanineME4002386140C000792.993-
Phthalic acidPhthalic acidME4002491017C016063.758-
ProlineProlineME4002218988C007630.911-
Pyroglutamic acidPyroglutamic acidME4002377405C018790.875-
SpermidineSpermidineME4002541102C003150.71-
ThymineThymineME4002151135C001782.97-
TyrosineTyrosineME4002196057C000821.668-
TyrosolTyrosolME40025210393C060443.299-
Uric AcidUric acidME4002331175C003661.271-
Urocanic acidUrocanic acidME400231736715C007851.275-


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
Azelaic acidAzelaic acidME4002592266C082613.736-
Citric acidCitric acidME400270311C001581.289-
DeoxyinosineDeoxyinosineME40026265058C055122.758-
GlutathioneGlutathioneME400265124886C000511.287-
Hydroxyphenyllactic acidHydroxyphenyllactic acidME4002649378C036723.188-
Indolelactic acidIndolelactic acidME400263676157C020433.674-
InosineInosineME4002616021C002942.252-
Kynurenic acidKynurenic acidME4002603845C017173.223-
Oxidized glutathioneOxidized glutathioneME40026665359C001271.624-
Pantothenic acidPantothenic acidME4002696613C008643.045-
SucroseSucroseME4002585988C000890.945-
TryptophanTryptophanME4002686305C000783.189-
UridineUridineME4002676029C002991.541-
Uridine-5'-phosphoric acid disodium saltUMPME4002576030C001050.951-


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