Marissen, R.
, Laros, J.
, Rasinger, J.
, Varunjikar, M.
, Neely, B.
and Palmblad, M.
(2022),
compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets, ACS Journal of Proteome Research, [online], https://doi.org/10.1021/acs.jproteome.2c00457, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=935035
(Accessed December 21, 2024)
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compareMS2 2.0: An Improved Software for Comparing Tandem Mass Spectrometry Datasets
Published
Author(s)
Rob Marissen, Jeroen Laros, Josef Rasinger, Madhushri Varunjikar, , Magnus Palmblad
Abstract
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.Citation
ACS Journal of Proteome Research
Pub Type
Journals
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Keywords
compareMS2, distance metric, molecular phylogenetics, quality control, spectral clustering, distance metric, tandem mass spectrometry
Citation
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Created September 29, 2022, Updated November 29, 2022