基于UPLC-Q-TOF MS的吴茱萸致肝毒性部位及入血成分分析

发布时间：2018-06-20 22:53

本文选题：吴茱萸 + 肝毒性部位　；参考：《质谱学报》2017年03期

【摘要】：利用超高效液相色谱-四极杆-飞行时间质谱(UPLC-Q-TOF MS)法分析鉴定吴茱萸肝毒性部位的化学成分和给大鼠灌胃毒性部位后的血中原形成分及代谢产物。在优化的色谱和质谱条件下,采用正离子扫描模式对质量范围m/z50~1 200的化合物进行数据采集,分析时间仅为12min。通过UNIFI软件与人工相结合的方式对采集的数据进行分析,根据高分辨质谱提供的母离子与碎片离子的精确质量信息,初步推测了化合物的分子组成;结合标准品和参考文献数据,共鉴定了肝毒性部位中的29个化学成分,其中包括9个吲哚类生物碱、10个喹诺酮类生物碱、5个三萜、3个黄酮、1个其他类生物碱和1个有机酸。进一步比较了体内外样品的基峰离子色谱图,结合质谱数据和化合物裂解规律,共鉴定出21个入血成分,包括15个原形成分和6个代谢产物(1个为未知成分),并推测了代谢产物的代谢途径。该方法可为揭示吴茱萸肝毒性成分提供可靠的数据支持。
[Abstract]:Ultrahigh performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF MS) was used to analyze and identify the chemical constituents of Evodia rutaecarpa hepatotoxic site and the blood components and metabolites of the toxic part of Evodia rutaecarpa. Under the optimized conditions of chromatography and mass spectrometry, the positive ion scanning mode was used to collect the data of the compounds in the mass range of m/z50~1 200, and the analysis time was only 12 min. The collected data were analyzed by UNIFI software and artificial method. According to the accurate mass information of parent ion and fragment ion provided by high resolution mass spectrometry, the molecular composition of the compound was preliminarily inferred. A total of 29 chemical constituents of hepatotoxic sites were identified with reference data, including 9 indole alkaloids, 10 quinolones alkaloids, 5 triterpenoids, 3 flavonoids, 1 other alkaloid and 1 organic acid. The base peak ion chromatogram of the samples in vivo and in vitro was further compared. In combination with the mass spectrometry data and the law of compound cleavage, a total of 21 components were identified. It includes 15 prototypes and 6 metabolites (1 is unknown), and the metabolic pathway of metabolites is inferred. This method can provide reliable data for revealing the hepatic toxic components of Evodia rutaecarpa.
【作者单位】：哈尔滨商业大学药学院;哈尔滨商业大学生命科学与环境科学研究中心;
【基金】：哈尔滨市科技局科技创新人才项目(2015RQXXJ011) 黑龙江省教育厅科研项目(12541192)资助
【分类号】：O657.63;R285.1

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