Toward building mass spectrometry-based metabolomics and lipidomics atlases for biological and clinical research

Abstract

Current metabolomics and lipidomics studies are limited in the number of examined matrices, the breadth and scope of methods, reporting the number of metabolites, and data sharing. Here, we discuss the concept of metabolomics and lipidomics atlases that characterize the quantitative distribution and relationships of metabolites in biological matrices and serve as a resource for future studies. Combined sample extraction is recommended to screen the metabolome and lipidome comprehensively. A multiplatform mass spectrometry-based approach with methods for each fraction should follow to separate and detect metabolites differing in their physicochemical properties. Since many known metabolites are detected through untargeted analysis, routine use of multiple internal standards for quantification is advised. This approach provides semiquantitative data and delivers molar concentrations for selected polar metabolites and lipids. An interactive web tool to query metabolites, generate statistical models, visualize data, and download the results should be developed to access generated data easily.