Overtone mobility spectrometry: part 3. On the origin of peaks

J Am Soc Mass Spectrom. 2011 May;22(5):804-16. doi: 10.1007/s13361-011-0087-y. Epub 2011 Mar 4.

Abstract

The origin of non-integer overtone peaks in overtone mobility spectrometry (OMS) spectra is investigated by ion trajectory simulations. Simulations indicate that these OMS features arise from higher-order overtone series. An empirically-derived formula is presented as a means of describing the positions of peaks. The new equation makes it possible to determine collision cross sections from any OMS peak. Additionally, it is extended as a means of predicting the resolving power for any peak in an OMS distribution.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Algorithms
  • Computer Simulation
  • Mass Spectrometry / methods*
  • Models, Chemical*
  • Raffinose / chemistry

Substances

  • Raffinose