Metabolomic profiling using Orbitrap Fourier transform mass spectrometry

摘要

HPLC/HRMS and MS/MS analysis of mice urine samples were evaluated for biomarkers of Hypochoeris radicata: (1) New putative biomarkers are obtained from statistical missing of MS data; (2) Complementary results from accurate mass measurements and MS~(n) investigation help to generate a unique chemical structure for two biomarkers. Appropriate raw data processing and statistical analysis are critical parameters: (1) Statistics output data reveal few exploitable variables; (2) LDA shows disruption in urinary metabolome resulting from HR ingestion Perspectives. Ion fragmentations analyzed in FTMS and under higher energy activation mode (HCD) will give more information on unidentified metabolites. Statistical criteria will be modified to evaluate biomarkers and maybe to better differentiate specific HR metabolites from endogenous metabolome.