Computer‐aided interpretation of mass spectra

A system is described in which computer techniques are used to carry out major steps in the procedure for interpretation of high‐resolution mass spectral data. These steps include identification and evaluation of the molecular ion, neutral fragments lost from the molecular ion, and characteristic ion series, followed by elucidation of specific structural details using a sub‐routine for the particular compound class selected. The technique shows promise of not only increasing the interpreter's efficiency, but of providing more specific and detailed structural information from the spectral data.