Decoding the Nonvolatile Sensometabolome of Orange Juice (Citrus sinensis)

Activity-guided fractionation in combination with the taste dilution analysis, followed by liquid chromatography–tandem mass spectrometry and nuclear magnetic resonance experiments, led to the identification of 10 polymethoxylated flavones (PMFs), 6 limonoid glucosides, and 2 limonoid aglycones as the key bitterns of orange juice. Quantitative studies and calculation of dose-over-threshold factors, followed by taste re-engineering, demonstrated for the first time 25 sensometabolites to be sufficient to reconstruct the typical taste profile of orange juices and indicated that not a single compound can be considered a suitable marker for juice bitterness. Intriguingly, the taste percept of orange juice seems to be created by a rather complex interplay of limonin, limonoid glucosides, PMFs, organic acids, and sugars. For the first time, sub-threshold concentrations of PMFs were shown to enhance the perceived bitterness of limonoids. Moreover, the influence of sugars on the perceived bitterness of limonoids and PMFs in orange juice relevant concentration ranges was quantitatively elucidated