Standard key steps in mass spectrometry-based plant metabolomics experiments: Instrument performance and analytical method validation

Studies of the plant metabolome include the analysis of a wide range of chemical species with very diverse physicochemical properties requiring powerful analytical tools for the separation, characterization, and quantification of this vast compound diversity present in plant matrices. In quantitative metabolomics studies, major efforts are put into optimizing sample extraction and separation as well as instrument conditions to measure specific plant metabolites. Here, challenges in the use of mass spectrometry (MS) as a quantitative tool in plant metabolomics experiments are discussed, and an overview of the most critical steps in the development and validation of MS-based analytical methods is presented.