Recommendations for reporting ion mobility Mass Spectrometry measurements

Authors

Valerie Gabelica, University of Bordeaux
Alexandre A. Shvartsburg, Wichita State University
Carlos Afonso, Universite de Rouen
Perdita Barran, University of Manchester
Justin L.P. Benesch, University of Oxford
Christian Bleiholder, Florida State University
Michael T. Bowers, University of California, Santa Barbara
Aivett Bolbao, Pacific Northwest National Laboratory
Matthew F. Bush, University of Washington
J. Larry Campbell, SCIEX
Iain D.G. Campuzano, Amgen Discovery Research
Tim Causon, University of Natural Resources and Life Sciences
Brian H. Clowers, Washington State University
Colin S. Creaser, Loughborough University
Edwin De Pauw, Universite de Liege
Johann Far, Universite de Liege
Francisco Fernandez-Lima, Department of Chemistry and Biochemistry, Florida International UniversityFollow
John C. Fjeldsted, Agilent Technologies
Kevin Giles, Waters Corporation
Michael Groessl, University of Bern
Christopher J. Hogen Jr., University of Minnesota
Stephan Hann, University of Natural Resources and Life Sciences
Hugh I. Kim, Korea University - Korea
Ruwan T. Kurulugama, Agilent Technologies
Jody C. May, Vanderbilt University
John A. McLean, Vanderbilt University
Kevin Pagel, Freie Universitaet Berlin
Keith Richardson, Waters Corporation
Mark E. Ridgeway, Bruker Daltonics
Frederic Rosu, University of Bordeaux
Frank Sobott, Antwerp University; University of Leeds
Konstantinos Thalassinos, University College London; University of London
Stephen J. Valentine, West Virginia University
Thomas Wyttenbach, University of California, Santa Barbara

Date of this Version

2-1-2019

Document Type

Article

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.

Comments

Originally published in Mass Spectrometry Reviews.

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 License.

Recommended Citation

Gabelica, Valerie; Shvartsburg, Alexandre A.; Afonso, Carlos; Barran, Perdita; Benesch, Justin L.P.; Bleiholder, Christian; Bowers, Michael T.; Bolbao, Aivett; Bush, Matthew F.; Campbell, J. Larry; Campuzano, Iain D.G.; Causon, Tim; Clowers, Brian H.; Creaser, Colin S.; Pauw, Edwin De; Far, Johann; Fernandez-Lima, Francisco; Fjeldsted, John C.; Giles, Kevin; Groessl, Michael; Hogen, Christopher J. Jr.; Hann, Stephan; Kim, Hugh I.; Kurulugama, Ruwan T.; May, Jody C.; McLean, John A.; Pagel, Kevin; Richardson, Keith; Ridgeway, Mark E.; Rosu, Frederic; Sobott, Frank; Thalassinos, Konstantinos; Valentine, Stephen J.; and Wyttenbach, Thomas, "Recommendations for reporting ion mobility Mass Spectrometry measurements" (2019). Department of Chemistry and Biochemistry. 47.
https://digitalcommons.fiu.edu/chemistry_fac/47