Accurate mass measurement: terminology and treatment of data.

Journal of the American Society for Mass Spectrometry
A Gareth Brenton, A Ruth Godfrey

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 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. 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.

References

Mar 8, 2006·Rapid Communications in Mass Spectrometry : RCM·Suvi OjanperäIlkka Ojanperä
Aug 29, 2006·Journal of the American Society for Mass Spectrometry·Richard L Wong, I Jonathan Amster
Dec 14, 2006·Molecular & Cellular Proteomics : MCP·Roman Zubarev, Matthias Mann
Apr 19, 2008·Rapid Communications in Mass Spectrometry : RCM·Michael S BeremanDavid C Muddiman
Oct 9, 2009·Rapid Communications in Mass Spectrometry : RCM·A G BrentonM F Wyatt
Feb 1, 1994·Journal of the American Society for Mass Spectrometry·M L Gross

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Citations

Feb 25, 2011·Analytical and Bioanalytical Chemistry·Pearl BlayJeremy E Melanson
Sep 15, 2011·Analytical and Bioanalytical Chemistry·Karen M MacDougallJeremy E Melanson
May 26, 2011·Cold Spring Harbor Perspectives in Biology·Dominik SchwudkeAndrej Shevchenko
Apr 20, 2014·Journal of Pharmaceutical and Biomedical Analysis·Yannick LecomptePatrick Arpino
Feb 9, 2016·Journal of Pharmaceutical and Biomedical Analysis·Nathalie R WingertMartin Steppe
Nov 4, 2010·Advances in Chronic Kidney Disease·Michael L Merchant
Jan 10, 2014·Mass Spectrometry Reviews·Yulin Qi, Peter B O'Connor
Oct 31, 2017·The Journal of Clinical Investigation·John F O'SullivanRobert E Gerszten
Feb 8, 2018·Analytical and Bioanalytical Chemistry·Tobias BrudererGérard Hopfgartner
Feb 4, 2011·Bioanalytical Reviews·Tobias Kind, Oliver Fiehn
Jun 17, 2020·Experimental and Clinical Endocrinology & Diabetes : Official Journal, German Society of Endocrinology [and] German Diabetes Association·Josef Köhrle, Keith H Richards
Aug 21, 2021·Chemical Reviews·Sem TamaraAlbert J R Heck
Aug 12, 2021·Journal of Ethnopharmacology·Kamilla Felipe do NascimentoAnelise Samara Nazari Formagio
Feb 21, 2021·The Science of the Total Environment·Lan LiuStéphane Bayen
May 12, 2012·The Biochemical Journal·Jay J Thelen, Ján A Miernyk

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