compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets.
compareMS2
distance metric
molecular phylogenetics
quality control
tandem mass spectrometry
Journal
Journal of proteome research
ISSN: 1535-3907
Titre abrégé: J Proteome Res
Pays: United States
ID NLM: 101128775
Informations de publication
Date de publication:
03 02 2023
03 02 2023
Historique:
pubmed:
30
9
2022
medline:
7
2
2023
entrez:
29
9
2022
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 36173614
doi: 10.1021/acs.jproteome.2c00457
pmc: PMC9903320
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
514-519Références
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