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

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

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
Boris L. Milman (Institute of Experimental Medicine)
Inna K. Zhurkovich (Institute of Toxicology)
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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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투고일Submission Date
2018-07-04
수정일Revised Date
2018-07-12
게재확정일Accepted Date
2018-07-24
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