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- E-ISSN 2093-8950
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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
(Institute of Experimental Medicine)
(Institute of Toxicology)
(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
Reference
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- Submission Date
- 2018-07-04
- Revised Date
- 2018-07-12
- Accepted Date
- 2018-07-24
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