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 journalArticle

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 languageEnglish
Pages (from-to)628-637
Number of pages10
JournalJournal of the American Society for Mass Spectrometry
Volume28
Issue number4
DOIs
Publication statusPublished - 2017 Apr 1

Fingerprint

Cations
Gases
Ions
Mass spectrometry
Pharmaceutical Preparations
Essential Drugs
Alkali Metals
Pharmacokinetics
Vinblastine
Drug Industry
Tandem Mass Spectrometry
Doxorubicin
Metal ions
Protons
Mass Spectrometry
Derivatives
Growth
Research
Industry
vinorelbine

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

Cite this

Distinct Fragmentation Pathways of Anticancer Drugs Induced by Charge-Carrying Cations in the Gas Phase. / Hong, Areum; Lee, Hong Hee; Heo, Chae Eun; Cho, Yunju; Kim, Sunghwan; Kang, Dukjin; Kim, Hugh I.

In: Journal of the American Society for Mass Spectrometry, Vol. 28, No. 4, 01.04.2017, p. 628-637.

Research output: Contribution to journalArticle

Hong, Areum ; Lee, Hong Hee ; Heo, Chae Eun ; Cho, Yunju ; Kim, Sunghwan ; Kang, Dukjin ; Kim, Hugh I. / Distinct Fragmentation Pathways of Anticancer Drugs Induced by Charge-Carrying Cations in the Gas Phase. In: Journal of the American Society for Mass Spectrometry. 2017 ; Vol. 28, No. 4. pp. 628-637.
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