Computer‐aided interpretation of mass spectra. Increased information from neutral loss data

The performance of the [Self‐Training Interpretive and Retrieval System] for unknown mass spectra has been improved by modifications to the data classes utilizing information concerning the masses of neutral fragments lost from the molecular ion. Modifications include use of overlapping mass ranges, sets of homologous series of losses and an arithmetic combination of the data class rankings to give an [overall match‐factor] for neutral loss data.