InterpretMSSpectrum

swMATH16667CRANInterpretMSSpectrumMaRDI QIDQ28536

Interpreting High Resolution Mass Spectra

Jan Lisec, Jaeger Carsten

Last update: 31 January 2024

Copyright license: GNU General Public License, version 3.0

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

Description

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.