Mass spectral analysis of large molecules
US11694884B2 · kind B2 · utility
Assignee
Inventor
Key dates
| Filing date | Dec 1, 2020 |
| Grant date | Jul 4, 2023 |
| Priority date | — |
| Expiry date | Dec 16, 2040 |
Classification
- Technology area (CPC H)Electricity
- CPC primaryH01J49/0009
- WIPO fieldMeasurement
- WIPO sectorInstruments
Abstract
A method for mass spectral analysis of molecules based on full mass spectral profile or raw scan mode data, comprising the steps of specifying the basic building blocks for the molecule; estimating initial values including trial numbers of building blocks, charge states, and possible modifications; calculating discrete isotope distributions based on elemental compositions; calculating a profile mode theoretical mass spectrum using a target mass spectrum peak shape function; performing regression analysis between acquired profile mode mass spectrum data and calculated theoretical mass spectrum data and reporting regression statistics; using regression statistics as feedbacks to update initially estimated values including trial numbers of building blocks, charge states, and possible modifications; and repeating selected step to optimize the regression statistics. A mass spectrometer operating in accordance with the method. A medium having computer readable program instructions for causing a mass spectrometer associated with a computer to operate in accordance with the method.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.