InterpretMSSpectrum
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Software:28536
swMATH16667CRANInterpretMSSpectrumMaRDI QIDQ28536
Interpreting High Resolution Mass Spectra
Last update: 31 January 2024
Software version identifier: 1.3.3, 0.83, 1.0, 1.1, 1.2, 1.3.8, 1.4.5
Source code repository: https://github.com/cran/InterpretMSSpectrum
Copyright license: GNU General Public License, version 3.0
High resolution mass spectrometry yields often large data sets of spectra from compounds which are not present in available libraries. These spectra need to be annotated and interpreted. 'InterpretMSSpectrum' provides a set of functions to perform such tasks for Electrospray-Ionization and Atmospheric-Pressure-Chemical-Ionization derived data in positive and negative ionization mode.
