Abstract
With the growth of the pharmaceutical industry, structural elucidation of drugs and derivatives using tandem mass spectrometry (MS 2 ) has become essential for drug development and pharmacokinetics studies because of its high sensitivity and low sample requirement. Thus, research seeking to understand fundamental relationships between fragmentation patterns and precursor ion structures in the gas phase has gained attention. In this study, we investigate the fragmentation of the widely used anticancer drugs, doxorubicin (DOX), vinblastine (VBL), and vinorelbine (VRL), complexed by a singly charged proton or alkali metal ion (Li + , Na + , K + ) in the gas phase. The drug–cation complexes exhibit distinct fragmentation patterns in tandem mass spectra as a function of cation size. The trends in fragmentation patterns are explicable in terms of structures derived from ion mobility mass spectrometry (IM-MS) and theoretical calculations. [Figure not available: see fulltext.]
Original language | English |
---|---|
Pages (from-to) | 628-637 |
Number of pages | 10 |
Journal | Journal of the American Society for Mass Spectrometry |
Volume | 28 |
Issue number | 4 |
DOIs | |
Publication status | Published - 2017 Apr 1 |
Bibliographical note
Publisher Copyright:© 2016, American Society for Mass Spectrometry.
Keywords
- Alkali metal
- Anticancer drug
- Doxorubicin
- Fragmentation
- Ion mobility mass spectrometry
- Proton
- Structural elucidation
- Tandem mass spectrometry
- Theoretical calculation
- Vinblastine
- Vinorelbine
ASJC Scopus subject areas
- Structural Biology
- Spectroscopy