Probability-based matching

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IUPAC RECOMMENDATIONS 2013
Probability-based matching
Automated system for computer examination of the mass spectrum of an unknown mixture for the presence of a specific compound for which a standard spectrum is available in a library. The probability that the compound is present is given by a confidence index K such that 2K is the average number of randomly selected compounds whose mass spectra would have to be examined to find data which match the target spectrum to the same degree as does the unknown.
Related Term(s):
Reference(s):

F. W. McLafferty, R. H. Hertel, R. D. Villwock. Org. Mass Spectrom. 9, 690 (1974). (http://dx.doi.org/10.1002/oms.1210090710 )

From Definitions of Terms Relating to Mass Spectrometry (IUPAC Recommendations 2013); DOI: 10.1351/PAC-REC-06-04-06 © IUPAC 2013.

Index of Recommended Terms