Recommendations for reporting ion mobility Mass Spectrometry measurements

Valérie Gabelica, Alexandre A. Shvartsburg, Carlos Afonso, Perdita Barran, Justin L.P. Benesch, Christian Bleiholder, Michael T. Bowers, Aivett Bilbao, Matthew F. Bush, J. Larry Campbell, Iain D.G. Campuzano, Tim Causon, Brian H. Clowers, Colin S. Creaser, Edwin De Pauw, Johann Far, Francisco Fernandez-Lima, John C. Fjeldsted, Kevin Giles, Michael GroesslChristopher J. Hogan, Stephan Hann, Hugh I. Kim, Ruwan T. Kurulugama, Jody C. May, John A. McLean, Kevin Pagel, Keith Richardson, Mark E. Ridgeway, Frédéric Rosu, Frank Sobott, Konstantinos Thalassinos, Stephen J. Valentine, Thomas Wyttenbach

Research output: Contribution to journalReview article

59 Citations (Scopus)

Abstract

Here we present a guide to ion mobility mass spectrometry experiments, which covers both linear and nonlinear methods: what is measured, how the measurements are done, and how to report the results, including the uncertainties of mobility and collision cross section values. The guide aims to clarify some possibly confusing concepts, and the reporting recommendations should help researchers, authors and reviewers to contribute comprehensive reports, so that the ion mobility data can be reused more confidently. Starting from the concept of the definition of the measurand, we emphasize that (i) mobility values (K0) depend intrinsically on ion structure, the nature of the bath gas, temperature, and E/N; (ii) ion mobility does not measure molecular surfaces directly, but collision cross section (CCS) values are derived from mobility values using a physical model; (iii) methods relying on calibration are empirical (and thus may provide method-dependent results) only if the gas nature, temperature or E/N cannot match those of the primary method. Our analysis highlights the urgency of a community effort toward establishing primary standards and reference materials for ion mobility, and provides recommendations to do so.

Original languageEnglish
Pages (from-to)291-320
Number of pages30
JournalMass Spectrometry Reviews
Volume38
Issue number3
DOIs
Publication statusPublished - 2019 May 1

ASJC Scopus subject areas

  • Analytical Chemistry
  • Condensed Matter Physics
  • Biochemistry, Genetics and Molecular Biology(all)
  • Spectroscopy

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    Gabelica, V., Shvartsburg, A. A., Afonso, C., Barran, P., Benesch, J. L. P., Bleiholder, C., Bowers, M. T., Bilbao, A., Bush, M. F., Campbell, J. L., Campuzano, I. D. G., Causon, T., Clowers, B. H., Creaser, C. S., De Pauw, E., Far, J., Fernandez-Lima, F., Fjeldsted, J. C., Giles, K., ... Wyttenbach, T. (2019). Recommendations for reporting ion mobility Mass Spectrometry measurements. Mass Spectrometry Reviews, 38(3), 291-320. https://doi.org/10.1002/mas.21585