Get formula and neutral mass for annotated compounds.
getFormula(df, dbs)
Data frame
data frame with the input results
list of data bases required for annotation. By default, dbs contains the required data frames based on the default fragmentation rules. If these rules are modified, dbs may need to be supplied. See createLipidDB and assignDB.
M Isabel Alcoriza-Balaguer <maialba@alumni.uv.es>