基于UPLC-Q-TOF MS分析加工炮制对玄参化学成分的影响

Changes of Chemical Constituents in Scrophulariae Radix During Processing Based on UPLC-Q-TOF MS

为了全面阐明玄参加工工艺对其化学成分的影响,采用UPLC-Q-TOF MS技术对烘干玄参和传统加工玄参的化学成分进行分析比较,并运用主成分分析法(PCA)和正交偏最小二乘辨别分析法(OPLS-DA)进行数据统计,寻找差异性成分,同时依据一级质谱精确质荷比和二级质谱碎片信息进行成分解析。结果表明:与烘干玄参相比,传统加工玄参中共有26种成分的含量变化显著,实验鉴定出了其中的15种成分,包括9种环烯醚萜类化合物和6种苯丙素类化合物;含量降低的成分有桃叶珊瑚苷、6-O-甲基梓醇、哈巴俄苷、8-O-香豆酰基哈巴俄苷、8-O-阿魏酰基哈巴俄苷、阿格托苷、异阿格托苷、安格洛苷C和scrophuloside B1,其中scrophuloside B1为玄参中首次发现的成分;含量增加的成分有哈巴苷、哈巴俄苷同分异构体、6″-O-α-D-半乳糖哈巴俄苷、6-O-α-D-半乳糖哈巴俄苷、斩龙剑苷A和肉桂酸。本工作对研究玄参加工炮制机制有重要意义,同时可为阐明玄参药效的物质基础提供依据。

In order to clarify the influence of the traditional processing on the chemical constitution of Scrophulariae Radix,the UPLC-Q-TOF MS method was used to analyze the dried and processed Scrophulariae Radix.Data were processed by principal component analysis（PCA）and orthogonal partial least squared discriminant analysis（OPLSDA）to find the difference between dried and processed Scrophulariae Radix.The accurate m/z values of Q-TOF MS and Q-TOF MS/MS fragments were applied to constitution identification.The results show that a total of 26 constituents have significant differences between dried and processed Scrophulariae Radix.Fifteen constituents areidentified,including 9iridoid glycosidesand 6phenylpropanoid glycosides.Compared with the dried Scrophulariae Radix,the contents of aucubin,6-O-methylcatapol,harpagoside,8-O-cumaroylharpagide,8-O-feruloylharpagide,acteoside,isoacteoside,angoroside C and scrophuloside B1 in processed Scrophulariae Radix are decreasing.The contents of harpagide,harp agoside isomer,6″-O-α-D-galactopyranosylharp agoside,6-O-α-D-galactopyranosylharp agoside,sibirioside A and cinnamic acid are increasing.In Scrophulariae Radix,scrophuloside B1 is detected for the first time.The UPLC/Q-TOF-MS method proves to have a high sensitivity and the result isaccurate and reliable.The method could fully reflect the changes of multiple chemical constituents in the course of processing and lay agood foundation for the further study of processing mechanism of traditional Chinese medicine.