Patent ID: 9159538
Filing Date: 2015-10-13
Classification: H01J

Abstract:
1. A mass spectrometric analysis method comprising: (a) identifying isotopic clusters in experimentally observed mass spectral data; (b) determining a respective experimental monoisotopic mass-to-charge (m/z) value for each identified isotopic cluster; (c) calculating theoretical monoisotopic m/z values of a plurality of ion species theoretically predicted to be generated by mass spectral ionization of analyte molecules, each ion species corresponding to a respective combination of analyte-molecule composition, adduction, ionic charge state, and analyte-molecule polymerization state; (d) calculating an m/z-value difference, Δ(m/z) (e) calculating an m/z-value difference, Δ(m/z) (f) assigning, to the respective pair of ion species corresponding to each pair of experimental monoisotopic m/z values for which Δ(m/z) (g) storing or reporting to a user the results of the assigning.