Reliable and automatic mass spectral analysis
US11404259B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Feb 19, 2019 |
| Grant date | Aug 2, 2022 |
| Priority date | — |
| Expiry date | Jul 25, 2039 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B40/00
- WIPO fieldMeasurement
- WIPO sectorInstruments
Abstract
A method, mass spectrometer and computer readable medium for acquiring mass spectral data in raw profile; detecting presence of compounds and relevant time window; performing multivariate statistical analysis of raw profile data in a time window to determine compounds; obtaining separation time profiles for detected compounds containing respective time locations in a time window; and computing pure mass spectra for compounds based on separation time profiles or time locations. A method, mass spectrometer and computer readable medium for acquiring mass spectral data in raw profile of a known and unknown sample; combining mass spectral scans for a sample into a single mass spectrum across a separation time window; performing multivariate statistical analysis of the acquired mass spectral data and computing a distance measure between the known and unknown sample; and using the distance measure as an indication for an unknown sample belonging to a known sample or sample group.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.