Man pages for michaelwitting/CompoundDb
Creating and using (Chemical) Compound Annotation Databases
| annotateMz | Annotate m/z values for ion adducts |
| 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 |
| import_mona_sdf | Import compound and spectrum information from MoNa... |
| mass2mz | Conversion functions between mass and m/z |
| matchWithPpm | Match values allowing a certain difference in ppm |
| 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 |
