In an untargeted metabolome analysis, the analytical task is to gather as much information from a given sample as possible. By applying universal sample preparation techniques, combinations of chromatographical separation techniques that target different chemical groups of analytes, and a combination of full-scan MS detection and data-dependent fragmentation analysis, huge amounts of data can be generated. The most challenging aspect of untargeted metabolome analysis is the post-measurement data analysis. While the identity of the analysed metabolite in targeted measurements is known, the metabolic features detected in an untargeted analysis require identification and conformation before any interpretation of the results is possible. High-resolution mass spectrometry, the analysis of fragmentation patterns and adduct formation, combined with online and in-house metabolite libraries and elaborated search algorithms allow this identification and make untargeted metabolomics a powerful tool.
f you want to be Involved in the data analysis process, you are welcome to do so and get some hands-on experience on the computational aspects of metabolomics.