基于UPLC-Q-TOF/MS法对鲜、干百合地黄汤化学成分的比较研究

Fresh and Dried Baihe Dihuang Decoction Comparative Study of Chemical Components Based on UPLC-Q-TOF/MS Method

目的采用超高效液相色谱-四级杆-飞行时间串联质谱法(UPLC-Q-TOF/MS)对鲜、干百合地黄汤的化学成分进行分析,并对差异成分的抗抑郁机制进行探讨。方法采用Waters UPLC BEH C_(18)色谱柱(2.1 mm×100 mm,1.7μm),流动相(0.1%甲酸水溶液-乙腈)梯度洗脱,使用QExactiveFocus质谱仪和Xcalibur软件,基于IDA采集模式获得MS和MS/MS数据进行数据分析。并根据成分保留时间、结合数据库Inhouse MS/MS database及相关文献报道进行结构鉴定。结果从鲜、干百合地黄汤差异成分中共筛选出35个化合物,其中17个萜类化合物、3个酚类化合物、4个氨基酸类化合物、3个黄酮类化合物、2个生物碱类化合物、6个苯丙素类化合物。鲜品中环烯醚萜类与氨基酸类物质含量明显高于干品,鲜品中生物碱与苯丙素类化合物含量低于干品。结论UPLC-Q-TOF/MS可快速检测鲜、干百合地黄汤的化学成分,成分多为萜类、氨基酸类和苯丙素类化合物,可为鲜药与干药配方质量控制、解郁药效物质基础研究及其复方制剂开发奠定良好的基础。

Objective To identify and analyze the chemical constituents of fresh and dried Baihe Dihuang Decoction by ultra performance liquid chromatography-quadrupole-time-of-flight tandem mass spectrometry(UPLC-Q-TOF/MS),and to discuss the anti-depression mechanism of different components.Methods Waters UPLC BEH C_(18) column(2.1 mm×100 mm,1.7μm),mobile phase(0.1%formic acid aqueous solution-acetonitrile)was used for gradient elution,QExactiveFocus mass spectrometer and Xcalibur software was used to obtain MS and MS/MS data for data analysis based on IDA acquisition mode.And according to the retention time,combined with the Inhouse MS/MS database and related literature reports for structural identification.Results A total of 35 compounds were screened from the different components of fresh and dry Baihe Dihuang Decoction,including 17 terpenoids,3 phenols,4 amino acids,3 flavonoids,2 alkaloids and 6 phenylpropanoids.The content of iridoids and amino acids in fresh products was significantly higher than that in dry products.The content of alkaloids and phenylpropanoids in fresh products was lower than that in dry products.Conclusion UPLC-Q-TOF/MS can quickly detect the chemical components in the fresh and dried Baihe Dihuang Decoction.The components are mostly terpenoids,amino acids and phenylpropanoids,which can lay a good foundation for the quality control of fresh and dry medicine formulations,basic research of antidepressant substance and the development of compound preparations.