compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets

[Image: see text] It has long been known that biological species can be identified from mass spectrometry data alone. Ten years ago, we described a method and software tool, compareMS2, for calculating a distance between sets of tandem mass spectra, as routinely collected in proteomics. This method...

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Autores principales: Marissen, Rob, Varunjikar, Madhushri S., Laros, Jeroen F. J., Rasinger, Josef D., Neely, Benjamin A., Palmblad, Magnus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9903320/
https://www.ncbi.nlm.nih.gov/pubmed/36173614
http://dx.doi.org/10.1021/acs.jproteome.2c00457
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author Marissen, Rob
Varunjikar, Madhushri S.
Laros, Jeroen F. J.
Rasinger, Josef D.
Neely, Benjamin A.
Palmblad, Magnus
author_facet Marissen, Rob
Varunjikar, Madhushri S.
Laros, Jeroen F. J.
Rasinger, Josef D.
Neely, Benjamin A.
Palmblad, Magnus
author_sort Marissen, Rob
collection PubMed
description [Image: see text] It has long been known that biological species can be identified from mass spectrometry data alone. Ten years ago, we described a method and software tool, compareMS2, for calculating a distance between sets of tandem mass spectra, as routinely collected in proteomics. This method has seen use in species identification and mixture characterization in food and feed products, as well as other applications. Here, we present the first major update of this software, including a new metric, a graphical user interface and additional functionality. The data have been deposited to ProteomeXchange with dataset identifier PXD034932.
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spelling pubmed-99033202023-02-08 compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets Marissen, Rob Varunjikar, Madhushri S. Laros, Jeroen F. J. Rasinger, Josef D. Neely, Benjamin A. Palmblad, Magnus J Proteome Res [Image: see text] It has long been known that biological species can be identified from mass spectrometry data alone. Ten years ago, we described a method and software tool, compareMS2, for calculating a distance between sets of tandem mass spectra, as routinely collected in proteomics. This method has seen use in species identification and mixture characterization in food and feed products, as well as other applications. Here, we present the first major update of this software, including a new metric, a graphical user interface and additional functionality. The data have been deposited to ProteomeXchange with dataset identifier PXD034932. American Chemical Society 2022-09-29 /pmc/articles/PMC9903320/ /pubmed/36173614 http://dx.doi.org/10.1021/acs.jproteome.2c00457 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Marissen, Rob
Varunjikar, Madhushri S.
Laros, Jeroen F. J.
Rasinger, Josef D.
Neely, Benjamin A.
Palmblad, Magnus
compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets
title compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets
title_full compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets
title_fullStr compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets
title_full_unstemmed compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets
title_short compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets
title_sort comparems2 2.0: an improved software for comparing tandem mass spectrometry datasets
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9903320/
https://www.ncbi.nlm.nih.gov/pubmed/36173614
http://dx.doi.org/10.1021/acs.jproteome.2c00457
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