CompareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets

Autor:	Rob Marissen, Madhushri S. Varunjikar, Jeroen F. J. Laros, Josef D. Rasinger, Benjamin A. Neely, Magnus Palmblad
Rok vydání:	2022
Předmět:	molecular phylogenetics compareMS2 tandem mass spectrometry General Chemistry distance metric quality control Biochemistry
Zdroj:	Journal of Proteome Research, 22(2), 514-519. AMER CHEMICAL SOC Journal of Proteome Research
ISSN:	1535-3907 1535-3893
DOI:	10.1021/acs.jproteome.2c00457
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88ac8819bc3357a8d9cd16cc69a9c611 https://doi.org/10.1021/acs.jproteome.2c00457 Zobrazit plný text záznamu