Create DBAnnotate

Function for matching monoisotopic matches locally downloaded from a database or a custom database to the outputs of either the Auto.MV.Regress or Auto.MS.MS.match functions. Database monoisotopic mass information must be saved in the .csv file format with the only REQUIREMENT being that the names of the database entries are in the first column and the monoisotopic mass in the second column. All other relevant database information such as unique ID and SMILES, InChi etc. can be in any other column. 
Based on ionisation energy used in a shotgun approach all possible adduct combinations and Phase II conjugates for each database entry are generated by the software. Where two or more possibility represent the same monoisotopic mass these will be aggregated into a single row of the returned results .csv file.
The user can define which conjugates to consider. It is anticipated that more possible Phase II conjugates will be added in a later version such as GSH and mercapturates.