jf0c01479_si_001.pdf (395.58 kB)
Identification of Compounds that Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis
journal contribution
posted on 2020-03-25, 23:29 authored by Sichaya Sittipod, Eric Schwartz, Laurianne Paravisini, Edisson Tello, Devin G. PetersonUntargeted liquid chromatography/mass
spectrometry (LC/MS) flavoromics
analysis was carried out on 18 coffee brews ranging in Specialty Coffee
Association (SCA) cup scores. Six compounds highly predictive of low
cup score were isolated from coffee using multidimensional preparative
LC/MS and further evaluated by sensory recombination analysis with
certified SCA quality graders. A significant decrease in cup score
was demonstrated with four of the six compounds when added to a specialty
coffee brew. High-resolution mass spectrometry and mono- and bidimensional
nuclear magnetic resonance experiments were used to successfully elucidate
four of the structures as 16α,17-dihydroxy-ent-kauran-19-oic acid (compound 1), its diglycosidic compound
16α,17-dihydroxy-ent-kauran-19-diglycoside
(compound 2), 16α,17,18-trihydroxy-ent-kauran-19-oic acid (compound 5), and 16α-hydroxy-17-ent-kauren-19-oic acid (compound 6). All four ent-kaurane diterpene compounds were endogenous to green
coffee beans, providing direct chemical indicators of low-quality
coffee.