Molecular weight adjustment to probability based matching of unknown mass spectra | Zendy

Stauffer Douglas B. | Zendy; McLafferty Fred W. | Zendy

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Molecular weight adjustment to probability based matching of unknown mass spectra

Author(s) -

Stauffer Douglas B.,

McLafferty Fred W.

Publication year - 1986

Publication title -

organic mass spectrometry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.475

H-Index - 121

eISSN - 1096-9888

pISSN - 0030-493X

DOI - 10.1002/oms.1210210603

Subject(s) - matching (statistics) , mass spectrum , reliability (semiconductor) , statistics , mathematics , spectral line , spectrum (functional analysis) , chemistry , mass spectrometry , chromatography , physics , thermodynamics , quantum mechanics , power (physics)

For an unknown mass spectrum of lower molecular weight, there should be relatively fewer compounds in the reference file giving similar mass spectra. Testing this with the Probability Based Matching (PBM) algorithm, for a specific degree of match a reference compound of low molecular weight has a higher probability of being correct. Modifying the predicted reliability values for such matches statistically improves the overall performance of PBM appreciably at high reliability values.

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