R: Interpreting High Resolution Mass Spectra

# Interpreting High Resolution Mass Spectra

## Documentation for package ‘InterpretMSSpectrum’ version 1.5.3

- DESCRIPTION file.

## Help Pages

Adducts | Default adduct lists used by 'findMAIN'.
apci_spectrum | APCI spectrum
chemical_elements | List of chemical elements.
CountChemicalElements | CountChemicalElements.
esi_spectrum | ESI spectrum
findMAIN | findMAIN.
fml2expr | Turn text with chemical formulas into expression vector.
GenerateMetaboliteSQLiteDB | GenerateMetaboliteSQLiteDB.
GetGroupFactor | GetGroupFactor.
get_exactmass | get_exactmass.
IMS_parallel | IMS_parallel.
InterpretMSSpectrum | Interpreting High-Res-MS spectra.
InterpretTP | InterpretTP.
mScore | mScore.
neutral_losses_APCI | A data table defining typical neutral losses in GC-APCI-MS for silylated compounds.
neutral_losses_ESI | A data table defining neutral losses in LC-ESI-MS (positive mode).
OrbiMS1 | Orbitrap spectra
param.default | Default parameter list for 'InterpretMSSpectrum'.
plot.findMAIN | findMAIN.
PlotSpec | Plot Mass Spectrum.
print.findMAIN | findMAIN.
ReadSpecClipboard | ReadSpecClipboard.
sendToMSF | Exporting spectra to MSFinder.
sendToMSF.default | Exporting spectra to MSFinder.
sendToMSF.findMAIN | Exporting spectra to MSFinder.