将超高效液相色谱-质谱联用(UPLC-MS)及UPLC-MSn技术与偏最小二乘法判别分析(PLS-DA)结合,对乌头汤分别与川贝、浙贝按照制川乌与贝母生药质量比1∶1配伍前后化学成分的变化情况进行了研究.在PLS-DA模型中,乌头汤与川贝、浙贝配伍前后的煎煮液均可明显区分.乌头汤与川贝共煎后获得8个化学标志物,可鉴定出7个化合物,其中尼奥灵、附子灵及苯甲酰基新乌头原碱在共煎后含量上升,塔拉定、10-OH苯甲酰基乌头原碱、10-OH苯甲酰基新乌头原碱和苯甲酰基去氧乌头原碱在配伍后含量下降.乌头汤与浙贝共煎后获得7个化学标志物,分别为Chuanfumine、Songorine、塔拉定、尼奥灵、附子灵、苯甲酰基新乌头原碱和10-OH苯甲酰基新乌头原碱,所有化学标志物的含量在共煎后均降低.
Wu-tou-tang was chosen to investigate the chemical constituent changes of Aconitum-Fritillariae combination taboo in prescription.The ultra performance liquid chromatography coupled with mass spectrometry(UPLC-MS) and tandem mass spectrometry methods were used to evaluate the chemical composition of Wu-tou-tang and its co-decoction with Fritillariae cirrhosae and Fritillariae thunbergiiin with a mass ratio of 1∶ 1.The total ion chromatograms(TIC) of the co-decoctions were processed by Mzmine 2,and then the dataset was analyzed by partial least squares discriminant analysis(PLS-DA).Significant differences between the group of Wu-tou-tang and Wu-tou-tang combined with Fritillariae cirrhosae and Fritillariae thunbergii in PLS-DA model were observed.Seven of the eight potential chemical markers in Wu-tou-tang and Fritillariae cirrhosae compa-tibility process were identified,the relative content of neoline,fuziline and benzoylmesaconine increased and talatizidine,10-OH benzoylmesaconine,10-OH benzoylaconine and benzoyldeoxyaconine decreased.Chuanfumine,songorine,talatizidine,neoline,fuziline,benzoylmesaconine and 10-OH benzoylmesaconine were found as potential chemical markers in Wu-tou-tang and Fritillariae thunbergii compatibility process,respectively.The result shows that relative content of all potential chemical markers in Wu-tou-tang and Fritillariae thunbergii co-decoction was less than that in Wu-tou-tang.