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Identification of Compounds that Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis.
J Agric Food Chem. 2020 Sep 23; 68(38):10424-10431.JA

Abstract

Untargeted 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.

Authors+Show Affiliations

Department of Food Science and Technology, The Ohio State University, 110 Parker Food Science and Technology Building, 2015 Fyffe Road, Columbus, Ohio 43210, United States.Department of Food Science and Technology, The Ohio State University, 110 Parker Food Science and Technology Building, 2015 Fyffe Road, Columbus, Ohio 43210, United States.Department of Food Science and Technology, The Ohio State University, 110 Parker Food Science and Technology Building, 2015 Fyffe Road, Columbus, Ohio 43210, United States.Department of Food Science and Technology, The Ohio State University, 110 Parker Food Science and Technology Building, 2015 Fyffe Road, Columbus, Ohio 43210, United States.Department of Food Science and Technology, The Ohio State University, 110 Parker Food Science and Technology Building, 2015 Fyffe Road, Columbus, Ohio 43210, United States.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

32172556

Citation

Sittipod, Sichaya, et al. "Identification of Compounds That Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis." Journal of Agricultural and Food Chemistry, vol. 68, no. 38, 2020, pp. 10424-10431.
Sittipod S, Schwartz E, Paravisini L, et al. Identification of Compounds that Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis. J Agric Food Chem. 2020;68(38):10424-10431.
Sittipod, S., Schwartz, E., Paravisini, L., Tello, E., & Peterson, D. G. (2020). Identification of Compounds that Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis. Journal of Agricultural and Food Chemistry, 68(38), 10424-10431. https://doi.org/10.1021/acs.jafc.0c01479
Sittipod S, et al. Identification of Compounds That Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis. J Agric Food Chem. 2020 Sep 23;68(38):10424-10431. PubMed PMID: 32172556.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Identification of Compounds that Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis. AU - Sittipod,Sichaya, AU - Schwartz,Eric, AU - Paravisini,Laurianne, AU - Tello,Edisson, AU - Peterson,Devin G, Y1 - 2020/03/26/ PY - 2020/3/17/pubmed PY - 2021/1/23/medline PY - 2020/3/17/entrez KW - SCA cup score KW - coffee quality KW - ent-kaurane diterpene KW - flavoromics KW - untargeted chemical profiling SP - 10424 EP - 10431 JF - Journal of agricultural and food chemistry JO - J Agric Food Chem VL - 68 IS - 38 N2 - Untargeted 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. SN - 1520-5118 UR - https://www.unboundmedicine.com/medline/citation/32172556/Identification_of_Compounds_that_Negatively_Impact_Coffee_Flavor_Quality_Using_Untargeted_Liquid_Chromatography/Mass_Spectrometry_Analysis_ L2 - https://doi.org/10.1021/acs.jafc.0c01479 DB - PRIME DP - Unbound Medicine ER -