Patent ID: 9530633
Filing Date: 2016-12-27
CPC Classification: H01J

Claim Text:
1. A mass spectrometry method for identifying structural isomers, the method comprising, in a tandem mass spectrometer: (a) acquiring a plurality of fragmentation signatures using a plurality of unique tandem mass spectrometry modes for a reference sample, wherein each fragmentation signature of the reference sample is acquired with a unique tandem mass spectrometry mode; (b) identifying, via a processor, one or more discriminant features across the plurality of fragmentation signatures of the reference sample; (c) acquiring a plurality of fragmentation signatures for an unknown sample, wherein each fragmentation signature of the unknown sample is acquired with the unique tandem mass spectrometry modes according to the one or more discriminant features of step (b); (d) scoring the fragmentation signatures of step (c) by comparing the one or more discriminant features of the reference sample, from step (b), against the one or more discriminant features of the unknown sample; and (e) identifying a structural isomer based on the score of step (d).