Challenges in ESI-MS-based Untargeted Metabolomics

Chimia (Aarau). 2022 Feb 23;76(1-2):90-100. doi: 10.2533/chimia.2022.90.

Abstract

Untargeted metabolomics is now widely recognized as a useful tool for exploring metabolic changes taking place in biological systems under different conditions. In this article, we aim to provide a short overview of the liquid-phase separation methods hyphenated to MS to perform untargeted metabolomics of biological samples. Each approach is complemented by up-to-date literature to guide readers, as well as practical information for avoiding or fixing some of the most frequently encountered pitfalls. This article covers mainly data acquisition, but a short discussion is provided regarding signal processing and data treatment, as well as data analysis and its biological interpretation in the context of metabolomic studies.

Keywords: Annotation; Capillary electrophoresis; Liquid chromatography; Mass spectrometry; Metabolomics; Supercritical fluid chromatography; Toxicological and doping analysis.