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

Journal of Proteome Research, vol. 22, pp. 514–519

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.

Authors 6

1. Rob Marissen Aachen Center for Proteomics and Metabolomics

   Leiden University Medical Center

   Affiliation as printed

   Center for Proteomics and Metabolomics, Leiden University Medical Center, Postbus 9600, 2300 RC Leiden, The Netherlands

2. Madhushri Shrikant Varunjikar

   Norwegian Institute of Marine Research

   Affiliation as printed

   Institute of Marine Research, P.O. Box 1870 Nordnes, 5817 Bergen, Norway

   Institute of Marine Research, P.O. Box 1870 Nordnes, 5817 Bergen, Norway

3. Jeroen F. J. Laros Aachen Department of Human Genetics

   Leiden University Medical Center · National Institute for Public Health and the Environment

   Affiliation as printed

   Department of Human Genetics, Leiden University Medical Center, Postbus 9600, 2300 RC Leiden, The Netherlands

   National Institute for Public Health and the Environment, 3720 BA Bilthoven, The Netherlands

4. Josef Daniel Rasinger

   Norwegian Institute of Marine Research

   Affiliation as printed

   Institute of Marine Research, P.O. Box 1870 Nordnes, 5817 Bergen, Norway

   Institute of Marine Research, P.O. Box 1870 Nordnes, 5817 Bergen, Norway

5. Benjamin A. Neely

   National Institute of Standards and Technology

   Affiliation as printed

   National Institute of Standards and Technology, Charleston, South Carolina 29412, United States

6. Magnus Palmblad corresponding Aachen Center for Proteomics and Metabolomics

   Leiden University Medical Center

   Affiliation as printed

   Center for Proteomics and Metabolomics, Leiden University Medical Center, Postbus 9600, 2300 RC Leiden, The Netherlands