Electron-induced dissociation of doubly protonated betaine clusters: controlling fragmentation chemistry through electron energy

Rapid Commun Mass Spectrom. 2009 Oct 30;23(20):3259-63. doi: 10.1002/rcm.4239.

Abstract

The [M21+2H]2+ cluster of the zwitterion betaine, M = (CH3)3NCH2CO2, formed via electrospray ionisation (ESI), has been allowed to interact with electrons with energies ranging from >0 to 50 eV in a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The types of gas-phase electron-induced dissociation (EID) reactions observed are dependent on the energy of the electrons. In the low-energy region up to 10 eV, electrons are mainly captured, forming the charge-reduced species, {[M21+2H]+*}*, in an excited state, which stabilises via the ejection of an H atom and one or more neutral betaines. In the higher energy region, above 12 eV, a Coulomb explosion of the multiply charged clusters is observed in highly asymmetric fission with singly charged fragments carrying away more than 70% of the parent mass. Neutral betaine evaporation is also observed in this energy region. In addition, a series of singly charged fragments appears which arise from C-X bond cleavage reactions, including decarboxylation and CH3 group transfer. These latter reactions may arise from access of electronic excited states of the precursor ions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Betaine / chemistry*
  • Electrons
  • Ions / chemistry
  • Kinetics
  • Mass Spectrometry
  • Protons
  • Thermodynamics

Substances

  • Ions
  • Protons
  • Betaine