ASES/MS: an automatic structure elucidation system for organic compounds using mass spectrometric data
ANALYSTANALYST Pub Date: DOI: 10.1039/AN9881301261
Abstract
A series program, which consists of a library search and an intelligence interpretation program, has been developed for compound identification. The library search program uses a new combined forward and reverse search principle. The intelligence program assigns a molecular structure to an organic compound by using spectrum-structure correlation rules based on about 25 000 reference spectra.
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CAS no.: 89640-58-4
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