Flavor instability of ready-to-drink (RTD) coffee during storage negatively impacts product quality. Untargeted liquid chromatography/mass spectrometry (LC/MS) analysis was applied to identify chemical compounds that degraded during storage and impacted the flavor attributes of RTD coffee. LC/MS chemical profiles of non-aged and aged coffee samples were modeled against the degree of difference sensory scores by orthogonal partial least squares with good fit (R²Y = 0.966) and predictive ability (Q² = 0.960). The top five predictive chemical features were subsequently purified by off-line multidimensional Prep-LC, revealing ten coeluting chlorogenic acid lactones (CGLs) compounds that were identified by LC/MS and nuclear magnetic resonance (NMR). The concentrations of eight CGLs significantly decreased in the coffee during the 4-month storage. Sensory recombination testing revealed the degradation of 3-O-caffeoyl-ɣ-quinide and 4-O-caffeoyl-ɣ-quinide significantly impacted the flavor stability of RTD coffee at subthreshold concentrations.

即饮 (RTD) 咖啡在储存过程中的风味不稳定性会对产品质量产生负面影响。应用非靶向液相色谱/质谱 (LC/MS) 分析来识别在储存过程中降解并影响 RTD 咖啡风味属性的化合物。通过具有良好拟合（R ² Y = 0.966）和预测能力（Q ² = 0.960）。随后通过离线多维 Prep-LC 纯化前五个预测化学特征，揭示了通过 LC/MS 和核磁共振 (NMR) 鉴定的十种共洗脱绿原酸内酯 (CGL) 化合物。在 4 个月的储存期间，咖啡中八种 CGL 的浓度显着降低。感官重组测试表明，3 - O-咖啡酰-ɣ-quinide和4- O-咖啡酰-ɣ-quinide的降解显着影响了阈下浓度RTD咖啡的风味稳定性。