Plant Metabolomics Research on a basis of Fourier Transform Ion Cyclotron Mass Spectrometry

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We have developed a metabolic profiling scheme based on a direct-infusion Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS). The scheme consists of 1)reproducible data collection under optimized FT-ICR MS analytical conditions, 2)automatic mass-error correction and multivariate analyses for metabolome characterization using a newly developed metabolomics tool (Dmass software), 3)identification of marker metabolites by searching an in-house metabolite database, KNApSAcK, and 4)structural analyses by an MSMS method. The scheme was applied for clarification of metabolic disorders in Arabidopsis seedlings treated with different herbicidal chemical classes. Arabidopsis extracts were directly infused into an electrospray ionization source on an FT-ICR MS system. Acquired metabolomics data consisting of m/z values with ion intensity information were subjected to a principal component analysis, and disordered metabolomes in the herbicide treatments were clearly differentiated from an herbicide-free metabolome. From each herbicide treatment, candidate metabolites representing the metabolic disorders were identified through the KNApSAcK database search. The database search and MSMS analyses manifested dose dependent accumulation patterns of specific metabolites including several flavonoid glycosides. The metabolic profiling scheme with FT-ICR MS and the Dmass program is discussed as a chemical genomics tool.