Characterization of Anticancer Drug Protomers Using Electrospray Ionization and Ion Mobility Spectrometry–Mass Spectrometry

作者：Pallab Basuri, Marc Safferthal, Borislav Kovačević, Pascal Schorr, Jerome Riedel, Kevin Pagel, Dietrich A. Volmer · 发表于：Journal of the American Society for Mass Spectrometry · 年份：2024 · DOI：10.1021/jasms.4c00233 · 被引用次数：7 · 研究领域：Mass Spectrometry Techniques and Applications、Analytical Chemistry and Chromatography、Metabolomics and Mass Spectrometry Studies

We used electrospray ionization and ion mobility spectrometry-mass spectrometry to detect and characterize the three anticancer drugs palbociclib, copanlisib, and olaparib. Ion mobility-mass spectrometry and density functional theory revealed that these compounds generate isomers during ionization (protomers) due to the presence of multiple protonation sites within their chemical structures. Our work has implications for understanding the solution- and gas-phase chemistry of these molecules during spray-based ionization processes.