An approach to estimate the activation energies of fragmentation occurring in quadrupole collision cell of the mass spectrometer

Ákos Kuki, Lajos Nagy, M. Zsuga, S. Kéki

Research output: Contribution to journalArticle

Abstract

The classical semi-quantitative Rice-Ramsperger-Kassel (RRK) theory was used for the calculation of the internal energy dependent reaction rate coefficient of the collision-induced dissociation (CID) reaction in tandem mass spectrometry (MS/MS). The survival yield (SY) was determined by the reaction rate equation for the unimolecular dissociation of the precursor ion. The parameters of the rate equation and the RRK model were approximated based on the instrumental conditions. We used the RRK equation for the description of the basic behavior of the fragmentation reactions and for the estimation of the internal energy of the precursor ion. The critical energies for fragmentation (Eo) of various molecules were estimated and compared with those reported in the literature. The model was extended by taking into account the initial internal energy distribution of the ions created in the ion source. It must be emphasized that our approach provides only a crude estimate for Eo.

Original languageEnglish
Pages (from-to)672-680
Number of pages9
JournalJournal of Mass Spectrometry
Volume52
Issue number10
DOIs
Publication statusPublished - Oct 1 2017

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Mass spectrometers
Activation energy
Ions
Reaction rates
Ion sources
Mass spectrometry
Molecules

Keywords

  • collision cell
  • collision-induced dissociation
  • RRK model
  • survival yield
  • tandem mass spectrometry

ASJC Scopus subject areas

  • Spectroscopy

Cite this

An approach to estimate the activation energies of fragmentation occurring in quadrupole collision cell of the mass spectrometer. / Kuki, Ákos; Nagy, Lajos; Zsuga, M.; Kéki, S.

In: Journal of Mass Spectrometry, Vol. 52, No. 10, 01.10.2017, p. 672-680.

Research output: Contribution to journalArticle

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