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Recommendations for reporting ion mobility Mass Spectrometry measurements

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...

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Autores principales: Gabelica, Valérie, Shvartsburg, Alexandre A., Afonso, Carlos, Barran, Perdita, Benesch, Justin L.P., Bleiholder, Christian, Bowers, Michael T., Bilbao, Aivett, Bush, Matthew F., Campbell, J. Larry, Campuzano, Iain D.G., Causon, Tim, Clowers, Brian H., Creaser, Colin S., De Pauw, Edwin, Far, Johann, Fernandez‐Lima, Francisco, Fjeldsted, John C., 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., Wyttenbach, Thomas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6618043/
https://www.ncbi.nlm.nih.gov/pubmed/30707468
http://dx.doi.org/10.1002/mas.21585
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author Gabelica, Valérie
Shvartsburg, Alexandre A.
Afonso, Carlos
Barran, Perdita
Benesch, Justin L.P.
Bleiholder, Christian
Bowers, Michael T.
Bilbao, Aivett
Bush, Matthew F.
Campbell, J. Larry
Campuzano, Iain D.G.
Causon, Tim
Clowers, Brian H.
Creaser, Colin S.
De Pauw, Edwin
Far, Johann
Fernandez‐Lima, Francisco
Fjeldsted, John C.
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.
Wyttenbach, Thomas
author_facet Gabelica, Valérie
Shvartsburg, Alexandre A.
Afonso, Carlos
Barran, Perdita
Benesch, Justin L.P.
Bleiholder, Christian
Bowers, Michael T.
Bilbao, Aivett
Bush, Matthew F.
Campbell, J. Larry
Campuzano, Iain D.G.
Causon, Tim
Clowers, Brian H.
Creaser, Colin S.
De Pauw, Edwin
Far, Johann
Fernandez‐Lima, Francisco
Fjeldsted, John C.
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.
Wyttenbach, Thomas
author_sort Gabelica, Valérie
collection PubMed
description 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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spelling pubmed-66180432019-07-22 Recommendations for reporting ion mobility Mass Spectrometry measurements Gabelica, Valérie Shvartsburg, Alexandre A. Afonso, Carlos Barran, Perdita Benesch, Justin L.P. Bleiholder, Christian Bowers, Michael T. Bilbao, Aivett Bush, Matthew F. Campbell, J. Larry Campuzano, Iain D.G. Causon, Tim Clowers, Brian H. Creaser, Colin S. De Pauw, Edwin Far, Johann Fernandez‐Lima, Francisco Fjeldsted, John C. 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. Wyttenbach, Thomas Mass Spectrom Rev Review Articles 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. John Wiley and Sons Inc. 2019-02-01 2019 /pmc/articles/PMC6618043/ /pubmed/30707468 http://dx.doi.org/10.1002/mas.21585 Text en © 2019 The Authors. Mass Spectrometry Reviews Published by Wiley Periodicals, Inc. This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Review Articles
Gabelica, Valérie
Shvartsburg, Alexandre A.
Afonso, Carlos
Barran, Perdita
Benesch, Justin L.P.
Bleiholder, Christian
Bowers, Michael T.
Bilbao, Aivett
Bush, Matthew F.
Campbell, J. Larry
Campuzano, Iain D.G.
Causon, Tim
Clowers, Brian H.
Creaser, Colin S.
De Pauw, Edwin
Far, Johann
Fernandez‐Lima, Francisco
Fjeldsted, John C.
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.
Wyttenbach, Thomas
Recommendations for reporting ion mobility Mass Spectrometry measurements
title Recommendations for reporting ion mobility Mass Spectrometry measurements
title_full Recommendations for reporting ion mobility Mass Spectrometry measurements
title_fullStr Recommendations for reporting ion mobility Mass Spectrometry measurements
title_full_unstemmed Recommendations for reporting ion mobility Mass Spectrometry measurements
title_short Recommendations for reporting ion mobility Mass Spectrometry measurements
title_sort recommendations for reporting ion mobility mass spectrometry measurements
topic Review Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6618043/
https://www.ncbi.nlm.nih.gov/pubmed/30707468
http://dx.doi.org/10.1002/mas.21585
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