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In addition to positive and negative IPDBs from the PubChem molecular formula database, a database of frequency of molecular formulas in the PubChem molecular formula database are also provided in this link. When the ionization pathway of the analytical platform is known, intact molecular formulas can be obtained and then check its presence and its frequency in the PubChem molecular formula database. Molecular formula database search can be activated through PARAM0022-PARAM0024 in the UFA parameter spreadsheet for individual file annotation.