Method and apparatus for identifying unknown compounds in complex chemical mixtures using mass spectrometry and mass differential analysis
US6691046B2 · kind B2 · utility
Assignee
Inventor
Key dates
| Filing date | May 10, 2001 |
| Grant date | Feb 10, 2004 |
| Priority date | — |
| Expiry date | May 10, 2021 |
Classification
- Technology area (CPC G)Physics
- CPC primaryG16B15/00
- WIPO fieldMeasurement
- WIPO sectorInstruments
Abstract
A method and apparatus are provided for identifying unknown chemical structures that are related to one or more known structures. Measured masses of the unknown structures (US members) are compared with the expected masses of the known structures (DS members). The mass differences between US members and DS members are compared with changes in mass (&Dgr;M) between molecules analyzed as a function dependent upon structure (&Dgr;S). The mass difference is considered as a differential function, &Dgr;M/&Dgr;S, the result of which is calculated for each ion in the US when compared with each ion in the DS. These values are then correlated with values that would be expected based on assumed possible structural modifications. In addition, higher order differential functions, such as &Dgr;2M/&Dgr;S2, can be used as needed to allow for correlation of structures in which more than one structural motif has changed.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.