http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-6691046-B2

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filingDate 2001-05-10-04:00^^<http://www.w3.org/2001/XMLSchema#date>
grantDate 2004-02-10-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_640bd2d40ace748082c84998168f0d9d
publicationDate 2004-02-10-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber US-6691046-B2
titleOfInvention Method and apparatus for identifying unknown compounds in complex chemical mixtures using mass spectrometry and mass differential analysis
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 (DeltaM) between molecules analyzed as a function dependent upon structure (DeltaS). The mass difference is considered as a differential function, DeltaM/DeltaS, 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 Delta<2>M/DeltaS<2>, can be used as needed to allow for correlation of structures in which more than one structural motif has changed.
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