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

Milman Boris L.; Zhurkovich Inna K.

doi:10.5478/MSL.2018.9.3.73

P-ISSN2233-4203
E-ISSN2093-8950
ESCI, SCOPUS, KCI

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P-ISSN 2233-4203
E-ISSN 2093-8950

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Vol.9, No.3

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

Mass Spectrometry Letters / Mass Spectrometry Letters, (P)2233-4203; (E)2093-8950

2018, v.9 no.3, pp.73-76

https://doi.org/10.5478/MSL.2018.9.3.73

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

Milman, B. L., & Zhurkovich, I. K. (2018). Identification Performance of Low-Molecular Compounds by Searching Tandem Mass Spectral Libraries with Simple Peak Matching. Mass Spectrometry Letters, 9(3), 73-76, https://doi.org/10.5478/MSL.2018.9.3.73

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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 com-mon dot-product function. Corresponding true positive rates are (94±3) % and (96±3) %, respectively.

keywords: Tandem mass spectrometry, mass spectral libraries, spectral similarity measure, chemical identification

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