NMR spectra were used to barcode the major types of Actaea triterpenes which are structurally related and mainly found in Actaea plants. As shown in the figure above, the HMBC barcodes of these triterpenes were generated from mining of their NMR data through an extensive literature survey. In practice, pattern recognition of these reference barcodes in the HMBC spectra enables the structural identification of the individual chemical species.
A VBA application named “NMR Barcode Reader” was developed within Microsoft Excel 2010 to facilitate the automated batch identification of the Actaea triterpene mixtures. You can download the latest version using the “Save As” function of your browser (typically, upon right mouse click or in the context menu). A sample file is also provided to demonstrate the required data format and the basic functions of the Reader.
Step 1: Export HMBC peaks into xlsx format (see sample file) using NMR processing software.
Step 2: Click the “Import” button to import the xlsx file.
Step 3: Click the “Scan” button to find the candidate patterns and match them with the reference barcodes.
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