Recommendations for reporting ion mobility Mass Spectrometry measurements
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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 ( K 0 ) 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. © 2019 The Authors. Mass Spectrometry Reviews Published by Wiley Periodicals, Inc.
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The 3D shape of proteins and complexes can be simultaneously investigated by ion mobility-mass spectrometry (IM-MS).
“In addition to mass alone, the 3D shape of proteins and complexes can be simultaneously investigated by ion mobility-mass spectrometry (IM-MS).”
From Higher-order structural characterisation of native proteins and complexes by top-down mass spectrometry (2020) · cites this paper as [23]
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Self-citation
- Authors
- 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., Groessl, M., Hogan, C. J., Hann, S., Kim, H. I., Kurulugama, R. T., May, J. C., McLean, J. A., Pagel, K., Richardson, K., Ridgeway, M. E., Rosu, F., Sobott, F., Thalassinos, K., Valentine, S. J., & Wyttenbach, T.
- Affiliations
- Centre National de la Recherche Scientifique (FR)
- Wichita State University (US)
- Université de Rouen Normandie (FR)
- University of Manchester (GB)
- University of Oxford (GB)
- Florida State University (US)
- University of California, Santa Barbara (US)
- Biological Sciences Division Pacific Northwest National Laboratory Richland Washington
- University of Washington (US)
- Sciex (Canada) (CA)
- Amgen (United States) (US)
- BOKU University (AT)
- Washington State University (US)
- Loughborough University (GB)
- Laboratoire de spectrométrie de masse (L.S.M.) − Molecular Systems Université de Liège Liège Belgium
- University of Liège (BE)
- Department of Chemistry and Biochemistry Florida International University Miami Florida
- Agilent Technologies (United States) (US)
- Waters (United Kingdom) (GB)
- University of Bern (CH)
- University of Minnesota (US)
- Korea University (KR)
- Vanderbilt University (US)
- Freie Universität Berlin (DE)
- Bruker (United States) (US)
- University of Leeds (GB)
- University of London (GB)
- West Virginia University (US)
- Corresponding author
- Gabelica, Valérie
- Shvartsburg, Alexandre A.
- ORCID
- Gabelica, Valérie
- Shvartsburg, Alexandre A.
- Afonso, Carlos
- Barran, Perdita
- Benesch, Justin L.P.
- Bleiholder, Christian
- Bowers, Michael T.
- Bush, Matthew F.
- Campbell, J. Larry
- Campuzano, Iain D.G.
- Causon, Tim
- Clowers, Brian H.
- Creaser, Colin S.
- Far, Johann
- Giles, Kevin
- Groessl, Michael
- Hogan, Christopher J.
- Hann, Stephan
- Kim, Hugh I.
- Kurulugama, Ruwan T.
- May, Jody C.
- McLean, John A.
- Pagel, Kevin
- Richardson, Keith
- Ridgeway, Mark E.
- Rosu, Frédéric
- Sobott, Frank
- Thalassinos, Konstantinos
- Valentine, Stephen J.
- Venue
- Mass Spectrometry Reviews
- Publisher
- Wiley
- Published
- 2019-02
- Volume
- 38
- Issue
- 3
- Pages
- 291-320
- ISSN
- 0277-7037 (ISSN-L)
- 1098-2787
- PMC
- PMC6618043
- OpenAlex
- W2913182573
- Cited by
- 493
- References
- 223
- Citations by year
- 2026: 50 · 2025: 54 · 2024: 61 · 2023: 66 · 2022: 66 · 2021: 76 · 2020: 75 · 2019: 43 · 2018: 2
- FWCI
- 6.73
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- Locations
- Mass Spectrometry Reviews (publishedVersion, cc-by)
- ChemRxiv (acceptedVersion, cc-by-nc-nd)
- PubMed Central (publishedVersion, cc-by)
- PubMed (publishedVersion)
- BIROn (Birkbeck, University of London) (acceptedVersion)
- White Rose Research Online (University of Leeds, The University of Sheffield, University of York) (acceptedVersion)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion, other-oa)
- Florida International University Digital Commons (Florida International University) (submittedVersion)
- Florida International University Digital Commons (Florida International University) (submittedVersion, cc-by)
- HAL (submittedVersion, cc-by)
- Loughborough University Institutional Repository (Loughborough University) (submittedVersion, cc-by)
- UCL Discovery (University College London) (submittedVersion)
- Royal College of Surgeons in Ireland (submittedVersion, cc-by-nc-nd)
- Loughborough University Research Repository (Loughborough University) (submittedVersion, cc-by)
- Open Repository and Bibliography (University of Liège) (submittedVersion)
- Research Explorer (The University of Manchester) (submittedVersion, cc-by)
- Refubium (Universitätsbibliothek der Freien Universität Berlin) (submittedVersion, cc-by)
- Holmes Museum Of Anthropology (Wichita State University) (submittedVersion, cc-by)
- Archive ouverte UNIGE (University of Geneva) (submittedVersion, cc-by)
- Universitätsbibliothek der FU Berlin Hochschulschriftenstelle u. Dokumentenserver (cc-by)
- Funders
- Biotechnology and Biological Sciences Research Council (BB/L002655/1)
- Topics
- Physical Sciences › Chemistry › Spectroscopy › Mass Spectrometry Techniques and Applications
- Physical Sciences › Chemistry › Spectroscopy › Advanced Proteomics Techniques and Applications
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Metabolomics and Mass Spectrometry Studies
- Keywords
- ion mobility mass spectrometry, reporting recommendations, ion mobility, collision cross sections, calibration, primary standard, reference materials
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
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