Molecular network analysis of food materials: workflow and applications

Food metabolomics, which is the study of food material components, has contributed significantly to the advancement of food science. Recently, molecular network analysis has attracted attention as a new method in metabolomics. Based on the theory that “compounds with similar skeletons give similar fragment ions when analyzed by MS/MS”, molecular network analysis can provide chemical profiles of natural ingredients in food materials easily and rapidly. In this review, we introduce a workflow for molecular network analysis and its applications to food materials. In food science, molecular network analysis is suitable for the elucidation and comparison of chemical profiles, the selective isolation of new or bioactive compounds, and the exploration of potential chemical markers and hazardous substances.