Evaluation of ion mobility in capillary electrophoresis coupled to mass spectrometry for the identification in metabolomics.

Autor: Drouin N; Division of Systems Biomedicine and Pharmacology, Leiden Academic Center for Drug Research, Leiden University, The Netherlands.; Institute of Pharmaceutical Sciences of Western Switzerland (ISPSO), University of Geneva, Geneva, Switzerland., Mielcarek A; Agilent Technologies, Hewlett-Packard, Waldbronn, Germany., Wenz C; Agilent Technologies, Hewlett-Packard, Waldbronn, Germany., Rudaz S; Institute of Pharmaceutical Sciences of Western Switzerland (ISPSO), University of Geneva, Geneva, Switzerland.
Jazyk: angličtina
Zdroj: Electrophoresis [Electrophoresis] 2021 Feb; Vol. 42 (4), pp. 342-349. Date of Electronic Publication: 2020 Sep 06.
DOI: 10.1002/elps.202000120
Abstrakt: Currently, feature annotation remains one of the main challenges in untargeted metabolomics. In this context, the information provided by high-resolution mass spectrometry (HRMS) in addition to accurate mass can improve the quality of metabolite annotation, and MS/MS fragmentation patterns are widely used. Accurate mass and a separation index, such as retention time or effective mobility (μ eff ), in chromatographic and electrophoretic approaches, respectively, must be used for unequivocal metabolite identification. The possibility of measuring collision cross-section (CCS) values by using ion mobility (IM) is becoming increasingly popular in metabolomic studies thanks to the new generation of IM mass spectrometers. Based on their similar separation mechanisms involving electric field and the size of the compounds, the complementarity of DT CCS N2 and μ eff needs to be evaluated. In this study, a comparison of DT CCS N2 and μ eff was achieved in the context of feature identification ability in untargeted metabolomics by capillary zone electrophoresis (CZE) coupled with HRMS. This study confirms the high correlation of DT CCS N2 with the mass of the studied metabolites as well as the orthogonality between accurate mass and μ eff , making this combination particularly interesting for the identification of several endogenous metabolites. The use of IM-MS remains of great interest for facilitating the annotation of neutral metabolites present in the electroosmotic flow (EOF) that are poorly or not separated by CZE.
(© 2020 Wiley-VCH GmbH.)
Databáze: MEDLINE
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