UPLC-Q-TOF-MS分析茜草炒炭前后的化学成分变化

发布时间：2018-11-20 13:22

【摘要】：为了探究茜草炒炭对化学成分的影响,利用超高效液相串联四级杆飞行时间质谱(UPLC-Q-TOF-MS)分析茜草和茜草炭的成分,比较炒炭前后化学成分的变化,并运用主成分分析法(PCA)和正交偏最小二乘判别法(OPLS-DA)进行数据统计,寻找茜草炒炭前后的主要差异成分,同时依据一级质谱精确质荷比和二级质谱碎片信息进行结构解析。结果表明:茜草炒炭前后有6种差异较大的成分,根据其在生品和炭品中的峰面积值,选择其中的3种成分作为主要差异成分,并鉴定为光泽汀、异茜草素、1,3,6-三羟基-2-甲基蒽醌,且炒炭后异茜草素、1,3,6-三羟基-2-甲基蒽醌含量显著增加,光泽汀含量明显减少,可作为化学标记物区分生品和炭品。该实验的研究成果对于揭示茜草炒炭的炮制机制具有重要意义,也为茜草炭药效物质基础的阐明提供了重要依据。
[Abstract]:In order to investigate the effect of stir-fried charcoal on chemical constituents, the composition of alizarin and alizarin was analyzed by ultra-high performance liquid phase tandem four-pole time-of-flight mass spectrometry (UPLC-Q-TOF-MS), and the changes of chemical constituents before and after firing were compared. The principal component analysis (PCA) and orthogonal partial least squares (OPLS-DA) were used to find the main difference components before and after stir-fried. At the same time, the structure was analyzed according to the accurate mass charge ratio of the first order mass spectrum and the fragment information of the second order mass spectrometry. The results showed that there were 6 different components before and after stir-frying. According to the peak area value in raw and charcoal products, three of them were selected as the main difference components, and identified as lustrin, isoalizarin, 1 / 3, respectively. The content of 6-trihydroxy-2-methylanthraquinone and isoalizarin, 1-trihydroxy-2-methylanthraquinone increased significantly, and the content of lustrin decreased obviously, which could be used as a chemical marker to distinguish raw and charcoal products. The results of this experiment are of great significance to reveal the processing mechanism of stir-fried charcoal, and also provide important basis for elucidating the basis of active substance of alizarin charcoal.
【作者单位】：南京中医药大学江苏省中药资源产业化过程协同创新中心江苏省方剂高技术研究重点实验室中药资源产业化与方剂创新药物国家地方联合工程研究中心;
【基金】：国家自然科学基金项目(81473348) 江苏高校优势学科建设工程项目(ysxk-2014) 江苏高校品牌专业建设工程项目(PPZY2015A070)
【分类号】：R284.1;O657.63

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