Use of mass spectral difference networks for determining charge state, adduction, neutral loss and polymerization
US9299547B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Sep 22, 2015 |
| Grant date | Mar 29, 2016 |
| Priority date | — |
| Expiry date | Sep 22, 2035 |
Classification
- Technology area (CPC H)Electricity
- CPC primaryH01J49/26
- WIPO fieldElectrical machinery, apparatus, energy
- WIPO sectorElectrical engineering
Abstract
A mass spectrometric analysis method comprises: (1) processing a mass spectrum to reduce the signals to monoisotopic values; (2) creating a list of differences between the monoisotopic values; (3) creating one or more lists of theoretical mass-to-charge differences among known adducts, charge states and polymerization states whose formation may be expected from various analyte molecules; (4) comparing the theoretical differences (line or edge in the network) to the list of differences from the mass spectrum and, where applicable, make and tabulate tentative species assignments; (5) assigning the mass spectral peaks to respective ion species in accordance with the redundancy of each assignment based on multiple independent calculated mass-to-charge differences pertaining to each peak; (6) choosing an ion species for further fragmentation or reaction in the mass spectrometer, based on the assigning; and (7) performing the fragmentation or reaction on the chosen ion species in the mass spectrometer.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.