Identification of flavor modulating compounds that positively impact coffee quality. (15th December 2019)

• Record Type: Journal Article
• Authors: Sittipod, Sichaya; Schwartz, Eric; Paravisini, Laurianne; Peterson, Devin G.
• Is Part Of: Food chemistry. Volume 301(2019)
• Publication Date: 2019-12-15
• Subjects: Coffee -- Flavor -- SCA cup score -- Quality -- Flavoromics -- Untargeted chemical profiling -- Modulator; Food -- Analysis -- Periodicals; Food -- Composition -- Periodicals; 664
• DOI: 10.1016/j.foodchem.2019.125250
• Languages: English
• ISSNs: 0308-8146

Abstract

Highlights: Untargeted LC/MS profiling with MVA modeling was used to characterize coffee quality. Three novel compounds were reported to increase the coffee quality. The green bean concentration of one compound was predictive of coffee quality. The compounds identified were classified as flavor modifiers. Abstract: Untargeted LC/MS flavoromic profiling was utilized to identify compounds that positively impact coffee quality. The chemical profiles of eighteen coffee samples and the corresponding Specialty Coffee Association (SCA) cup scores were modeled by orthogonal partial least squares (OPLS) analysis with good fit and predictive ability (R 2 Y > 0.9, Q 2 > 0.9). Four highly predictive chemical compounds positively correlated to cup score were subsequently isolated and purified (>90%) by multi-dimensional preparative LC/MS fractionation. Sensory recombination analysis by certified SCA Q-graders (n = 5) confirmed three out of four compounds significantly increased cup score when added to a control coffee ( p < 0.001). Based on accurate mass spectrometry and NMR experiments, the compound structures were identified as novel compounds 3- O -caffeoyl-4- O -3-methylbutanoylquinic acid, and the corresponding lactone 3- O -caffeoyl-4- O -3-methylbutanoyl-1, 5-quinide, as well as an unknown phenolic derivative containing a 3-methylbutanoyl moiety ([M−H] −1, m / z 671). No direct flavor activity was observed for each compound, indicating these compounds act as flavor-modifiers.