Mass spectrometry (MS) identification algorithm
US9989505B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Mar 14, 2014 |
| Grant date | Jun 5, 2018 |
| Priority date | — |
| Expiry date | Feb 28, 2035 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16C20/20
- WIPO fieldMeasurement
- WIPO sectorInstruments
Abstract
A system includes a gas chromatograph configured to determine experimental chromatographic data including retention times associated with samples. The system also includes a mass spectrometer configured to determine experimental mass spectral data associated with samples. The mass spectrometer can include a quadrupole field ion trap that uses a non-classical detection technique. The system determines a retention index for an unknown sample based upon retention times for a calibration sample and the unknown sample, and identifies reference mass spectral data using the retention index. The reference mass spectral data can include spectra measured using a classical detection technique. The system can compare the experimental mass spectral data to the reference mass spectral data using one or more comparison metrics, such as a percent fragment match and/or a variance match. A score can be determined to identify the unknown sample using one or more of the metrics.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.