Criterion for the identification of low resolution mass spectra by retrieval from a data bank

A criterion based on information theory has been developed for the matching of an unknown mass spectrum with that in a computer data bank. The principle of minimum divergence between the tested and reference spectra has proved adequate in the majority of cases. However, when the same compound is run...

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Bibliographic Details
Published in:International journal of mass spectrometry and ion physics 1973, Vol.12 (2), p.123-131
Main Authors: Farbman, S., Reed, R.I., Robertson, D.H., Silva, M.E.F.
Format: Article
Language:English
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Summary:A criterion based on information theory has been developed for the matching of an unknown mass spectrum with that in a computer data bank. The principle of minimum divergence between the tested and reference spectra has proved adequate in the majority of cases. However, when the same compound is run in various mass spectrometers the divergence between the different spectra of the same compound can be greater than between different isomers of the compound on the same instrument.
ISSN:0020-7381
1873-3034
DOI:10.1016/0020-7381(73)80095-6