A Workflow for Determination of the Elemental Compositions and Metabolic Profiling with FT-ICR MS

摘要

MALDI-FT-ICR MS analysis was successfully employed for metabolic profiling of HepG2 cells treated with the drug 5FU. PCA and OPLS-DA of ultrahigh resolution MS data could differentiate sample groups and find several responsible loadings. Elemental composition analysis provided candidates which could be confirmed by the ultrahigh resolution data permitting a comparison of measured and theoretical isotopic fine structures. The presented method enables rapid and non-targeted metabolic profiling.