Challenges in ESI-MS-based Untargeted Metabolomics

Elena Tobolkina; Víctor González-Ruiz; Isabel Meister; Miguel De Figueiredo; Davy Guillarme; Julien Boccard; Serge Rudaz

doi:10.2533/chimia.2022.90

Challenges in ESI-MS-based Untargeted Metabolomics

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

Authors

Elena Tobolkina^{1

2}, Víctor González-Ruiz^{3

2

4}, Isabel Meister^{5

2}, Miguel De Figueiredo^{6

2}, Davy Guillarme^{7

2}, Julien Boccard^{8

2

4}, Serge Rudaz^{9

2

4}

Affiliations

¹ School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland. [email protected].
² Institute of Pharmaceutical Sciences of Western Switzerland, University of Geneva, Geneva, Switzerland.
³ School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland. [email protected].
⁴ Swiss Centre for Applied Human Toxicology (SCAHT), Switzerland.
⁵ School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland. [email protected].
⁶ School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland. [email protected].
⁷ School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland. [email protected].
⁸ School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland. [email protected].
⁹ School of Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland. [email protected].

PMID: 38069754
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.

Copyright 2022 Serge Rudaz, Elena Tobolkina, Víctor González-Ruiz, Isabel Meister, Miguel De Figueiredo, Davy Guillarme, Julien Boccard. License: This work is licensed under a Creative Commons Attribution 4.0 International License.