Terpenes are a very diverse group of natural products, which contribute to the aroma, flavor, and effects of products containing them. Cannabis is exemplary, and terpenes can be a basis for cultivar classification. Traditionally, cannabis cultivars have been classified into two broad categories – “sativa” or “indica” – but this is thought to be less precise than a classification based on natural product content (chemotyping). For example, the use of diagnostic ratios (such as β-pinene/limonene) has been shown to be indicative of the dominant aroma of cannabis flower, either “floral” or “fuel”. Our ongoing efforts are aimed at characterizing additional sets of natural product components that can be used to generate reproducible and reliable categorization. We utilize a comprehensive non-targeted analytical approach, based on GCxGC-MS, to detect and identify volatile compounds in different cannabis “strains”. Our approach, therefore, extends beyond limiting analyses to any particular class of natural products (i.e. terpenes). In our analysis of 12 cannabis “strains”, we have identified other volatile compounds including: esters, fatty acids, aldehydes, ketones, alcohols, and alkanes, representing the gamut of oxidation states of a carbon-hydrogen backbone. In light of recent prenylated volatile sulfur compound characterization in cannabis attributed to “gas” or “fuel” aroma, we discuss a novel ester (ethyl 3-methyl-2-butenoate) also containing the prenyl (3-methylbut-2-en-1-yl) functional group and present in certain members of the “floral” (high β-pinene/limonene ratio) cultivar group. We discuss the implications of this more comprehensive “volatilome” characterization and categorization for ultimately correlating the natural product “lexicon” of cannabis with its characteristic anticipated effects.

Beyond terpenes: An untargeted approach for characterizing and categorizing cannabis cultivars to derive a robust chemotaxonomy

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ACS Fall 2022

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