We routinely use high and ultra-high performance LC with low and high resolution MS (HPLC-MS and U-HPLC-HRMS) for identification and quantification of bioactive compounds in plant foods and botanical supplements. An interesting development from this research has been the use of chromatographic and spectral (without separation) fingerprints of solids or un-fractionated extracts, with fairly simple chemometric methods, for detecting differences in the chemical composition of plant materials that can arise from genetic and environmental factors. Identification and quantification of individual compounds is not necessary for the success of these methods. In addition, we have found that less information rich methods, such as NIR and UV spectrometry, can be equally sensitive. We discriminated between broccoli cultivars and growing conditions using IR, NIR, MS, and UV spectrometry. We found differences between growing years, harvests, and conventional and organic farming for Ruby Red grapefruit using flow injection MS. We could easing distinguish between 15 genera of botanical materials using near IR, NIR, MS and UV. For Ginkgo biloba, the raw leaves were easily distinguished from the processed, commercial product with MS and UV. Adulteration with common flavonol glycosides was easily detected in commercial products. American and Asian ginseng and notoginseg species (Panax quinquefolius, P. ginseng) were easily differentiated and samples of American ginseng grown in Wisconsin, Canada, and China were identifiable. Finally, with targeted analysis using MS, we could detect American ginseng adulterated with as little as 2% Asian ginseng. Non-targeted adulteration is equally easy to implement.

Spectral fingerprints for chemical differentiation of botanical materials

246th National Meeting (2013)

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