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http://dx.doi.org/10.5478/MSL.2018.9.3.73

Identification Performance of Low-Molecular Compounds by Searching Tandem Mass Spectral Libraries with Simple Peak Matching

Milman, Boris L. (Institute of Experimental Medicine)
Zhurkovich, Inna K. (Institute of Toxicology)

Publication Information

Mass Spectrometry Letters / v.9, no.3, 2018 , pp. 73-76 More about this Journal

Abstract

The number of matched peaks (NMP) is estimated as the spectral similarity measure in tandem mass spectral library searches of small molecules. In the high resolution mode, NMP provides the same reliable identification as in the case of a common dot-product function. Corresponding true positive rates are ( $94{\pm}3$ ) % and ( $96{\pm}3$ ) %, respectively.

Keywords

Tandem mass spectrometry; mass spectral libraries; spectral similarity measure; chemical identification;

Citations & Related Records

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