Interpreting High Resolution Mass Spectra
CountChemicalElements.
findMAIN.
GenerateMetaboliteSQLiteDB.
get_exactmass.
GetGroupFactor.
IMS_parallel.
Interpreting High-Res-MS spectra.
InterpretTP.
mScore.
Plot Mass Spectrum.
ReadSpecClipboard.
Exporting spectra to MSFinder.
writeMSF.
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.