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

Basuri, Pallab; Safferthal, Marc; Kovačević, Borislav; Schorr, Pascal; Riedel, Jerome; Pagel, Kevin; Volmer, Dietrich A. (2024) Characterization of Anticancer Drug Protomers Using Electrospray Ionization and Ion Mobility Spectrometry–Mass Spectrometry. Journal of the American Society for Mass Spectrometry, 35 (12). pp. 2869-2876. ISSN 1044-0305

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Abstract

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.

Item Type:	Article
Uncontrolled Keywords:	Anticancer Drugs; Mass Spectrometry; DFT calculations; Ion Mobility
Subjects:	NATURAL SCIENCES > Chemistry
Divisions:	Division of Physical Chemistry
Depositing User:	Lorena Palameta
Date Deposited:	24 Apr 2025 08:52
URI:	http://fulir.irb.hr/id/eprint/9727
DOI:	10.1021/jasms.4c00233

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