Man pages for michaelwitting/CompoundDb
Creating and using (Chemical) Compound Annotation Databases

annotateMzAnnotate m/z values for ion adducts
CompDbSimple compound (metabolite) databases
compound_tbl_lipidblastExtract compound data from LipidBlast
compound_tbl_sdfExtract compound data from a file in SDF format
createCompDbCreate a CompDb database
expandMzIntensityExpand m/z and intensity values in a data.frame
Filter-classesFilters supported by CompDb
import_mona_sdfImport compound and spectrum information from MoNa...
mass2mzConversion functions between mass and m/z
matchWithPpmMatch values allowing a certain difference in ppm
MsBackendCompDbCompDb-based MS spectrum backend
msms_spectra_hmdbImport MS/MS spectra from HMDB xml files
msms_spectra_monaImport MS/MS spectra from MoNa
michaelwitting/CompoundDb documentation built on April 29, 2020, 8:42 p.m.