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Accurate Mass Measurement: Terminology and Treatment of Data

Anthony Brenton Orcid Logo, Ruth Godfrey Orcid Logo

Journal of the American Society for Mass Spectrometry

Swansea University Authors: Anthony Brenton Orcid Logo, Ruth Godfrey Orcid Logo

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DOI (Published version): 10.1016/j.jasms.2010.06.006

Abstract

High-resolution mass spectrometry has become ever more accessible with improvements in instrumentation, such as modern FT-ICR and Orbitrap mass spectrometers. This has resulted in an increase in the number of articles submitted for publication quoting accurate mass data. There is a plethora of terms...

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Published in: Journal of the American Society for Mass Spectrometry
ISSN: 1044-0305
Published: Elsevier (now Springer) 2010
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URI: https://cronfa.swan.ac.uk/Record/cronfa6116
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first_indexed 2013-07-23T11:54:27Z
last_indexed 2020-06-19T12:17:15Z
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spelling 2020-06-19T12:03:54.2071918 v2 6116 2011-10-01 Accurate Mass Measurement: Terminology and Treatment of Data 6ec1cbca144a41ccf2ee5d89e5587468 0000-0003-2600-2082 Anthony Brenton Anthony Brenton true false b7e381bae1b3f74a3521be56c9b2d2ae 0000-0002-8830-3625 Ruth Godfrey Ruth Godfrey true false 2011-10-01 SGMED High-resolution mass spectrometry has become ever more accessible with improvements in instrumentation, such as modern FT-ICR and Orbitrap mass spectrometers. This has resulted in an increase in the number of articles submitted for publication quoting accurate mass data. There is a plethora of terms related to accurate mass analysis that are in current usage, many employed incorrectly or inconsistently. This article is based on a set of notes prepared by the authors for research students and staff in our laboratories as a guide to the correct terminology and basic statistical procedures to apply in relation to mass measurement, particularly for accurate mass measurement. It elaborates on the editorial by Gross in 1994 regarding the use of accurate masses for structure confirmation [1]. We have presented and defined the main terms in use with reference to the International Union of Pure and Applied Chemistry (IUPAC) recommendations for nomenclature and symbolism for mass spectrometry. The correct use of statistics and treatment of data is illustrated as a guide to new and existing mass spectrometry users with a series of examples as well as statistical methods to compare different experimental methods and datasets. Journal Article Journal of the American Society for Mass Spectrometry Elsevier (now Springer) 1044-0305 31 12 2010 2010-12-31 10.1016/j.jasms.2010.06.006 http://www.springerlink.com/content/76j1k04t5u40p487/ COLLEGE NANME Medical School - School COLLEGE CODE SGMED Swansea University 2020-06-19T12:03:54.2071918 2011-10-01T00:00:00.0000000 Faculty of Medicine, Health and Life Sciences Swansea University Medical School - Medicine Anthony Brenton 0000-0003-2600-2082 1 Ruth Godfrey 0000-0002-8830-3625 2
title Accurate Mass Measurement: Terminology and Treatment of Data
spellingShingle Accurate Mass Measurement: Terminology and Treatment of Data
Anthony Brenton
Ruth Godfrey
title_short Accurate Mass Measurement: Terminology and Treatment of Data
title_full Accurate Mass Measurement: Terminology and Treatment of Data
title_fullStr Accurate Mass Measurement: Terminology and Treatment of Data
title_full_unstemmed Accurate Mass Measurement: Terminology and Treatment of Data
title_sort Accurate Mass Measurement: Terminology and Treatment of Data
author_id_str_mv 6ec1cbca144a41ccf2ee5d89e5587468
b7e381bae1b3f74a3521be56c9b2d2ae
author_id_fullname_str_mv 6ec1cbca144a41ccf2ee5d89e5587468_***_Anthony Brenton
b7e381bae1b3f74a3521be56c9b2d2ae_***_Ruth Godfrey
author Anthony Brenton
Ruth Godfrey
author2 Anthony Brenton
Ruth Godfrey
format Journal article
container_title Journal of the American Society for Mass Spectrometry
publishDate 2010
institution Swansea University
issn 1044-0305
doi_str_mv 10.1016/j.jasms.2010.06.006
publisher Elsevier (now Springer)
college_str Faculty of Medicine, Health and Life Sciences
hierarchytype
hierarchy_top_id facultyofmedicinehealthandlifesciences
hierarchy_top_title Faculty of Medicine, Health and Life Sciences
hierarchy_parent_id facultyofmedicinehealthandlifesciences
hierarchy_parent_title Faculty of Medicine, Health and Life Sciences
department_str Swansea University Medical School - Medicine{{{_:::_}}}Faculty of Medicine, Health and Life Sciences{{{_:::_}}}Swansea University Medical School - Medicine
url http://www.springerlink.com/content/76j1k04t5u40p487/
document_store_str 0
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description High-resolution mass spectrometry has become ever more accessible with improvements in instrumentation, such as modern FT-ICR and Orbitrap mass spectrometers. This has resulted in an increase in the number of articles submitted for publication quoting accurate mass data. There is a plethora of terms related to accurate mass analysis that are in current usage, many employed incorrectly or inconsistently. This article is based on a set of notes prepared by the authors for research students and staff in our laboratories as a guide to the correct terminology and basic statistical procedures to apply in relation to mass measurement, particularly for accurate mass measurement. It elaborates on the editorial by Gross in 1994 regarding the use of accurate masses for structure confirmation [1]. We have presented and defined the main terms in use with reference to the International Union of Pure and Applied Chemistry (IUPAC) recommendations for nomenclature and symbolism for mass spectrometry. The correct use of statistics and treatment of data is illustrated as a guide to new and existing mass spectrometry users with a series of examples as well as statistical methods to compare different experimental methods and datasets.
published_date 2010-12-31T03:07:32Z
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score 11.03559

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