LC-Q-TOF-MS及LC-IT-MS分析酸枣仁汤的化学成分

Identification of constituents in Suanzaoren tang by LC-Q-TOF-MS and LC-IT-MS

采用液相色谱-四级杆-飞行时间质谱(LC-Q-TOF-MS)及液相色谱-离子阱质谱(LC-IT-MS)系统剖析了酸枣仁汤中化学成分。色谱柱为Agilent Zorbax SB-C18,Rapid Resolution HT(4.6 mm×50 mm,1.8μm);以乙腈(A)-0.05%甲酸溶液(B)为流动相,梯度洗脱;流速0.6 mL·min-1;柱温30℃。共鉴定了酸枣仁汤中48个化合物,并对化合物的药材来源进行了归属,首次报道了方剂中的31个化合物。LC-Q-TOF-MS结合LC-IT-MS可以简便、快速地对酸枣仁汤中化学成分定性分析,本研究结果为酸枣仁汤质量控制和药效物质基础研究提供了一定的理论依据。

LC-Q-TOF-MS and LC-IT-MS in positive and negative ion mode were applied to simultaneously characterize the constituents in Suanzaoren tang. Analysis was performed on an Agilent Zorbax SB-C,s, Rapid Resolution HT column（4. 6 mm × 50 mm, 1.8 um） with gradient elution of acetonitrile（A）-aqueous solution containing 0. 05% formic acid（B） at a flow rate of 0. 6 mL . min-1 and the column temperature was 30℃. By comparing MS fragmentation, accurate molecular weight, literature date and standard compounds information, a total of 48 compounds were successfully identified or speculated. The origins of these compounds were assigned to the corresponding Chinese medicine. Thirty-one compounds were reported in Suanzaoren tang for the first time. LC-Q-TOF- MS combined with LC-IT-MS is a simple and rapid tool for the identification of constituents of Suanzaoren tang, and the results could provide evidence for the research on quality combined and effective constituents of Suanzaoren tang.