Man pages for EuracBiomedicalResearch/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
hasMzDetermine whether a spectrum contains peaks with certain m/z
import_mona_sdfImport compound and spectrum information from MoNa...
mass2mzConversion functions between mass and m/z
matchWithPpmMatch values allowing a certain difference in ppm
msms_spectra_hmdbImport MS/MS spectra from HMDB xml files
msms_spectra_monaImport MS/MS spectra from MoNa
EuracBiomedicalResearch/CompoundDb documentation built on March 19, 2019, 12:18 p.m.