利用超高效液相色谱-四极杆-飞行时间质谱法（UHPLC-Q-TOF/MSE）结合UNIFI数据分析平台在线鉴定了武夷岩茶中104个化合物，包括茶多酚、茶色素、生物碱、氨基酸和脂质。通过主成分分析（PCA）及正交偏最小二乘判别分析（OPLS-DA）发现了水仙和肉桂的化学成分具有明显差异，并筛选出19个显著差异性成分，其中水仙样品中表儿茶素、槲皮素-3-O-葡萄糖基-鼠李糖基-(对香豆酰基-阿拉伯糖基)葡萄糖苷、茶黄素-3-没食子酸酯等成分的相对含量较高；肉桂样品中5-O-对香豆酰基奎宁酸、表没食子儿茶素-3-O-(3-O-甲基)-没食子酸酯、杨梅素-3-O-半乳糖苷、山柰酚-3-O-葡萄糖苷等成分的相对含量较高。此方法可用于区分水仙和肉桂成品茶。该研究了解了武夷岩茶的化学组成并阐明了其两个主栽品种水仙和肉桂的化学成分差异性，对合理开发武夷岩茶的食用及药用价值具有指导意义，为武夷岩茶品种的鉴别提供科学依据。

A rapid identification of total 104 compounds in Wuyi Rock Tea was reported via ultra-high performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF/MSE) combined with the UNIFI data analysis platform, which includes tea polyphenols, tea pigments, alkaloids, amino acids, and lipids. Through principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA), it was found that chemical compositions of Shuixian and Rougui were significantly different, and 19 significant different components were screened out. Among them, the relative contents of epicatechin, quercetin-3-O-glucosyl-rhamnosyl-(p-coumaroyl-arabinosyl) glucoside, Theaflavin-3-gallate and other components in the Shuixian samples were higher; the relative contents of 5-O-p-coumaroylquinic acid, Epigallocatechin-3-O-(3-O-methyl)-gallate, myricetin-3-O-galactoside, myricetin-3-O-glucoside and other components in the Rougui samples were higher. This method can be used to distinguish processed Shuixian from Rougui. The study acquaintanced the chemical compositions of Wuyi Rock Tea and illuminated the component differences between the two main varieties which are Shuixian and Rougui, which were a guiding significance for the reasonable development of the edible and medicinal value of Wuyi Rock Tea. It provided a scientific basis for the distinction of different varieties of Wuyi Rock Tea.

基于离子淌度质谱碰撞截面CCS值和特征成分库的中药液质鉴定新策略,国家自然科学基金项目（面上项目，重点项目，重大项目）