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Elemental Composition Determinations Using the Abundant Isotope.

Robert B CodyThierry Fouquet
Published in: Journal of the American Society for Mass Spectrometry (2019)
Elemental compositions are commonly determined from the exact m/z of the monoisotopic peak, which is often the lightest isotope. However, the lightest isotope peak is often weak or absent and the monoisotopic peak can be difficult to identify for organometallics, polyhalogenated compounds, or large molecules. An alternative approach using the abundant isotope for elemental composition determinations is presented here.
Keyphrases
  • gas chromatography
  • mass spectrometry
  • density functional theory
  • tandem mass spectrometry
  • molecular dynamics