Identification of Compounds that Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis.,Journal of Agricultural and Food Chemistry

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Identification of Compounds that Negatively Impact Coffee Flavor Quality Using Untargeted Liquid Chromatography/Mass Spectrometry Analysis.
Journal of Agricultural and Food Chemistry ( IF 5.7 ) Pub Date : 2020-03-16 , DOI: 10.1021/acs.jafc.0c01479
Sichaya Sittipod ₁ , Eric Schwartz ₁ , Laurianne Paravisini ₁ , Edisson Tello ₁ , Devin G Peterson ₁

Affiliation

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.

中文翻译：

使用非目标液相色谱/质谱分析法鉴定对咖啡风味品质有负面影响的化合物。

对18种咖啡进行了无目标液相色谱/质谱（LC / MS）味组学分析，其咖啡杯子的分数为专业咖啡协会（SCA）。使用多维制备型LC / MS从咖啡中分离出六种可高度预测低杯分数的化合物，并通过经认证的SCA质量分级人员的感官重组分析进一步评估。当将六种化合物中的四种添加到特种咖啡冲泡剂中时，杯子分数显着降低。高分辨率质谱和单-和二维核磁共振实验中使用的结构的成功阐发4如16α，17二羟基ENT -kauran -19-酸（化合物1），其diglycosidic化合物16α，17-二羟基ENT-kauran -19-二糖苷（化合物2），16α，17,18三羟基ENT -kauran -19-酸（化合物5），和16α羟基-17- ENT -kauren -19-酸（化合物6）。所有四种耳鼻喉科-kaurane二萜类化合物是内生的生咖啡豆，提供低质量的咖啡直接化学指标。

更新日期：2020-03-16

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