Mass Spectrometry Letters

Korean Society for Mass Spectrometry (한국질량분석학회)
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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)
  • Received : 2018.07.04
  • Accepted : 2018.07.24
  • Published : 2018.09.30
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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 common dot-product function. Corresponding true positive rates are ($94{\pm}3$) % and ($96{\pm}3$) %, respectively.

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References

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