CompDb | Simple compound (metabolite) databases |
compound_tbl_lipidblast | Extract compound data from LipidBlast |
compound_tbl_sdf | Extract compound data from a file in SDF format |
createCompDb | Create a CompDb database |
expandMzIntensity | Expand m/z and intensity values in a data.frame |
Filter-classes | Filters supported by CompDb and IonDb |
import_mona_sdf | Import compound and spectrum information from MoNa |
IonDb | IonDb: compound database with additional ion information |
MsBackendCompDb | CompDb-based MS spectrum backend |
msms_spectra_hmdb | Import MS/MS spectra from HMDB xml files |
msms_spectra_mona | Import MS/MS spectra from MoNa |
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