关键词: 离子淌度质谱, 中药, 化学成分, 综述

Abstract:

Ion mobility-mass spectrometry (IM-MS) is a combination of ion mobility separation and mass spectrometry technologies. In IM-MS, analytes are ionized by the ion source to form gas-phase ions, which are then rapidly separated using ion mobility based on their mobility difference, under the influence of both neutral buffer gas and an electric field, and then traversed and detected using mass spectrometry, which can separate ions based on mass-to-charge ratio. Furthermore, IM-MS could provide not only mass-to-charge ratio parameters like MS¹ and MS² spectra but also new structural information for component identification like collision cross-section values, drift time, arrival time, compensation voltage, and so on, which can be employed to resolve complex chemical components, especially indistinguishable isomers using mass spectrometry alone. In recent years, with the development of IM-MS technologies, IM-MS has become more widely employed in chemical analysis in traditional Chinese medicines (TCMs). Firstly, IM-MS was been successfully used in the separation of complex TCMs complex extract from interfering isobaric species. Secondly, IM-MS also offers new types of MS/MS fragmentation modes, and the combination of IM separation and fragmentation modes enables the acquisition of more specific and detailed fragment ion spectra. Thirdly, the collision cross-section is introduced by IM-MS, which is a unique physicochemical property of a component. Related data post-processing strategies based on experimentally derived collision cross-section values have been continuously developed in recent years to make full use of the collision cross-section values, these data post-processing strategies include collision cross-section database matching, theoretical collision cross-section values matching, machine-learning-based collision cross-section values prediction matching, mass-to-charge ratio versus collision cross-section correlation trend lines and so on. In doing so, these diverse strategies can greatly enhance the reliability and accuracy of the structural annotation of TCM compounds. This review primarily briefly introduces the major types and basic principles of IM-MS. The applications of IM-MS in TCM chemical analysis are highlighted in this study. The current applications of IM-MS in improving TCM chemical component separation are summarized, followed by a discussion of several strategies for enhancing separation selectivity. This review also offers some new fragmentation modes, novel data acquisition approaches, and collision cross-section data post-processing strategies applied in TCM qualitative analysis. Finally, the prospect of IM-MS applied in TCM chemical analysis is also discussed. This review provides approaches and ideas for future IM-MS research on TCM’s chemical analysis.

Key words: ion mobility-mass spectrometry (IM-MS), traditional Chinese medicines (TCMs), chemical components, review