Building-Up a Comprehensive Database of Flavonoids Based on Nuclear Magnetic Resonance Data

摘要

The improvements in separation and analysis of complex mixtures by LC-NMR during the last decade have shifted its emphasis from data acquisition to data analysis. For correct data analysis, not only high quality datasets are necessary, but adequate software and adequate databases for semi (or fully)-automated assignments of complex molecules are needed. Only by using NMR, when necessary in combination with MS, the identification of molecules, as present for example in natural products, can be achieved. Here we report on the ongoing efforts required for the construction of an NMR database of flavonoids, implemented for automated assignments of flavonoids. The procedure is demonstrated for a series of flavonoids.