Phytochemical Profile of Eight Categories of Functional Edible Oils: A Metabolomic Approach Based on Chromatography Coupled with Mass Spectrometry

Featured Application The data presented here recommend a systematic analytical flow based on a metabolomic approach to be applied for different foods, food bioresources or byproducts valorization, identifying the profile of valuable components, including phytochemicals, as authenticity biomarkers and health-promoting molecules. Functional vegetable oils are highly considered not only for their nutritional value, but also for their health benefits. The profile of phytochemicals responsible for their quality is useful also for the identification of possible mislabeling or adulteration. The comparative composition of eight categories (sunflower, pumpkin, hempseed, linseed, soybean, walnut, sea buckthorn and olive) of commercial vs. authentic oils was determined. Fatty acids, volatiles, carotenoids, tocopherols, and phenolic components were analyzed by gas- and liquid chromatography-based techniques coupled with diode array, mass spectrometry, or fluorescence detection. Classification models, commonly used in metabolomics, e.g., principal component analysis, partial least squares discriminant analysis, hierarchical clusters and heatmaps have been applied to discriminate each category and individual samples. Carotenoids, tocopherols, and phenolics contributed mostly, qualitatively, and quantitatively to the discrimination between the eight categories of oils, as well as between the authentic and the commercial ones. This metabolomic approach can be easily implemented and the heatmaps can be considered as identity cards of each oil category and the quality of commercial oils, comparative to the authentic ones of the same botanical and geographical origin.

Automated summary

By using metabolomic approach, this study provides an analytical flow for the identification and characterization of valuable components in different types of food, food bioresources or byproducts. It also highlights the importance of phytochemicals as authenticity biomarkers and health-promoting molecules in functional vegetable oils.