Ion/molecule reactions of o-carborane(12) and a method for identifying overlapped isotopic distributions in complex mass spectra

Fiona H. Scholes, Richard J.S. Morrison, Colin L. Raston, Gary H. Kruppa

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

A high resolution Fourier transform ion cyclotron resonance mass spectrometer was used to investigate gas phase ion/molecule reactions of o-carborane(12) (o-C2B10H12). The reaction of o-carborane(12) neutrals and cations produced oligomeric carborane species. Extensive hydrogen losses and H2O/CH3OH adducts were also observed and these resulted in complex mass spectra containing overlapped isotopic distributions. For a cell pressure of 6.0 x 10-9 mbar and for reaction delays from 50 ms to 30 s, some 73 species were identified in the resultant mass spectra, and their reaction kinetics were explored using a simplified, six step reaction mechanism. The analysis of these complex mass spectra was simplified by MACLOOMIS, an interactive program based on pattern recognition techniques originally developed for the analysis of high resolution vibration-rotation spectra. When adapted to mass spectra, MACLOOMIS enabled the rapid identification of overlapped isotopic distributions, and this approach may prove useful for a wide range of mass spectrometry studies. (C) 2000 Elsevier Science B.V.

Original languageEnglish
Pages (from-to)37-45
Number of pages9
JournalInternational Journal of Mass Spectrometry
Volume202
Issue number1-3
DOIs
Publication statusPublished - 16 Oct 2000
Externally publishedYes

Keywords

  • Carborane
  • FT/ICR-MS
  • Ion-molecule reactions
  • Spectral deconvolution

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