Journal
FOOD CHEMISTRY
Volume 301, Issue -, Pages -Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.foodchem.2019.125250
Keywords
Coffee; Flavor; SCA cup score; Quality; Flavoromics; Untargeted chemical profiling; Modulator
Funding
- Flavor Research and Education Center at The Ohio State University
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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 ((RY)-Y-2 > 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.
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