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Li, D

1992

Applications of the Improved Computerized Analysis of 2D INADEQUATE Spectra

Dunkel, R.; Mayne, C.L.; Foster, M.P.; Ireland, C.M.; Li, D.; Owen, N.L.; Pugmire, R.J. and Grant, D.M.
Analytical Chemistry, 64:3150-3160, 1992. Funded by US Department of Energy, Pittsburgh Energy Technology Center and ACERC.

This paper illustrates the use of the program CCBond to determine the carbon skeletons of bioorganic molecules in low concentration samples. Discussed is the structure elucidation of bistramide A, a compound extracted from a Fijian Lissocllnum sp. and cholesterol in 71- and 20-µmol samples, respectively. The detection limit of the automated bond extraction is shown to be improved compared to the manual interpretation of 2D INADEQUATE spectra.