Patent ID: 7417223
Filing Date: 2008-08-26
Classification: G16C,H01J

Abstract:
1. A method of processing mass spectrographic data regarding reaction pairs in an ion sample, the method comprising: a) obtaining a first mass spectrum of the ion sample; b) obtaining a second mass spectrum of the ion sample wherein one of a) and b) comprises subjecting the ion sample to at least one of fragmentation and reaction such that the first mass spectrum differs from the second mass spectrum; c) selecting a neutral difference; and, d) shifting the second mass spectrum by the neutral difference relative to the first mass spectrum of the ion sample to provide a shifted mass spectrum and then comparing the shifted mass spectrum with the first mass spectrum of the ion sample and determining at least one reaction pair based on the neutral difference, wherein the first mass spectrum comprises a sequence of first mass signals defined over a mass axis such that each first mass signal represents an associated first signal magnitude for an associated mass on the mass axis; the second mass spectrum comprises a sequence of second mass signals defined over the mass axis such that each second mass signal represents an associated second signal magnitude for an associated mass on the mass axis; and, step (d) comprises displacing a sequence of mass signals of the second mass spectrum along the mass axis by the neutral difference relative to the sequence of first mass signals of the first mass spectrum and then comparing a sequence of mass signals of the shifted mass spectrum with the sequence of first mass signals of the first mass spectrum and determining the at least one reaction pair.