Construct MS2 spectra database according to mzXML data and compound information table (csv format).
construct_massbank_database( file, only.remain.ms2 = TRUE, path = ".", version = "0.0.1", source = "MassBank", link = "https://massbank.eu/MassBank/", creater = "Xiaotao Shen", email = "email@example.com", rt = FALSE, threads = 5 )
The file name of MassBank or MoNA database (mgf format).
Only remain the metabolites with MS2 spectra?
The version of you database. Default is 0.0.1.
The source of your database.
Website link of the source.
Creater name. For example, Xiaotao Shen.
Do the metabolites have RT information or not?. If not, set it as FALSE.
The number of threads
A databaseClass object.
The example and demo data of this function can be found https://tidymass.github.io/metid/articles/metid.html