A mass spectrometer is provided that includes a precursor ion candidate selector, a product ion scan measurement condition setter, a product ion spectral data obtainer, a compound database file generator, and an MRM measurement condition candidate generator. The precursor ion candidate selector selects precursor ion candidates from mass spectrometric data. The product ion scan measurement condition setter combines the precursor ion candidates with a plurality of candidate values of cleavage energy to set a product ion scan measurement condition. The product ion spectral data obtainer carries out MS/MS measurement to obtain product ion spectral data. The compound database file generator generates a compound database file in which the product ion scan measurement condition and the product ion spectral data are associated with each other.