Process for rapidly finding the accurate masses of subfragments comprising an unknown compound from the accurate-mass mass spectral data of the unknown compound obtained on a mass spectrometer

摘要

The invention is a process for finding the accurate masses of subfragments comprising an unknown compound from the accurate-mass mass spectral data of the unknown compound obtained on a mass spectrometer. This process generates these accurate masses of subfragments using mass differences of fragment ions and a listing of plausible masses. In this way, the accurate masses of subfragments, useful for generating modular structures, can be obtained very rapidly.