Highlights

• This study identified 147 chemical components in Citrus aurantium, with 92 being newly discovered, using both targeted and untargeted LC-MS metabolomics approaches.
• The researchers established a biosynthesis pathway for polymethoxyflavones and detailed the geographical variation in composition, helping to differentiate C. aurantium samples from different regions.
• The research linked the compositional profile to biofunctions, providing preliminary experimental validation and laying the groundwork for further developing C. aurantium as a functional food.

Summary

This research explored the diverse and complex composition of Citrus aurantium L. By employing advanced LC-MS techniques, the study identified and characterized 147 components, including polymethoxyflavones, carbohydrates, and carboxylic acids, many of which were detected for the first time in this species.

Utilizing both targeted and untargeted metabolomics analyses, the study overcame challenges brought by highly polar and low-ionization compounds. This broadened the known compositional spectrum of the fruit effectively. The research underscores the significance of various bioactive compounds in foods, highlighting the health-promoting properties of flavonoids, carbohydrates, etc. found in Citrus aurantium.

Applying these metabolomic techniques has provided new insights into the biological activities and regional variations in Citrus aurantium’s bioactive components. This study not only advances our understanding of its functional and nutritional potential but also demonstrates the value of advanced metabolomics in natural product chemistry.

W. Miao et al., “Polarity-extended composition profiling via LC-MS-based metabolomics approaches: A key to functional investigation of Citrus aurantium L,” Food Chemistry, vol. 405, p. 134988, Mar. 2023, doi: 10.1016/j.foodchem.2022.134988.