Identification of compounds that enhance bitterness of coffee brew.

The bitterness perception of coffee is a key attribute that impacts consumer acceptance. Nontargeted liquid chromatography/mass spectrometry (LC/MS) flavoromics analysis was applied to identify compounds that enhance the bitter perception of roasted coffee brew. Orthogonal partial least squares (OPLS) analysis was used to model the comprehensive chemical profiles and sensory bitter intensity ratings of fourteen coffee brews with good fit and predictivity. Five compounds that were highly predictive and positively correlated to bitter intensity were selected from the OPLS model, further isolated, and purified using preparative LC fractionation. Sensory recombination testing demonstrated that five compounds significantly enhanced the bitter perception of coffee when presented as a mixture, but not when presented individually. In addition, a set of roasting experiments revealed the five compounds were generated during the coffee roasting process.