Add emptyCompDb to initialize an empty CompDb database.
Add insertCompound to allow insertion of compounds to an existing database.
Add deleteCompound to allow deletion of compounds from a database. To ensure data integrity, the function checks if ions or MS2 spectra are associated with the compounds and eventually throws an error. Setting parameter recursive = TRUE deletes the compounds and all associated ions and MS2 spectra.
emptyCompDbto initialize an emptyCompDbdatabase.insertCompoundto allow insertion of compounds to an existing database.deleteCompoundto allow deletion of compounds from a database. To ensure data integrity, the function checks if ions or MS2 spectra are associated with the compounds and eventually throws an error. Setting parameterrecursive = TRUEdeletes the compounds and all associated ions and MS2 spectra.