Distinct Fragmentation Pathways of Anticancer Drugs Induced by Charge-Carrying Cations in the Gas Phase

Areum Hong, Hong Hee Lee, Chae Eun Heo, Yunju Cho, Sunghwan Kim, Dukjin Kang, Hugh I. Kim

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


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 languageEnglish
Pages (from-to)628-637
Number of pages10
JournalJournal of the American Society for Mass Spectrometry
Issue number4
Publication statusPublished - 2017 Apr 1


  • 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


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