UPLC-Q-TOF MS~E技术结合UNIFI数据库筛查方法快速分析巴戟天化学成分

发布时间：2018-05-27 22:30

本文选题：UPLC-Q-TOF + MSE　；参考：《质谱学报》2017年01期

【摘要】：采用UPLC-Q-TOF MS~E技术结合UNIFI数据库筛查方法对巴戟天中的化学成分进行了快速鉴定。对于已知化合物,利用其名称、分子式、结构式等信息补充完善UNIFI数据库,进行数据筛查,依据其精确分子质量、特征离子、中性丢失、MS/MS裂解规律、色谱保留行为等信息,结合对照品信息和文献报道等对其进行验证;对于未知成分,根据其精确分子质量、质谱裂解碎片、色谱保留行为以及已知同类化合物的特征碎片,对其进行结构表征。本实验共鉴定出110个化合物,包括8个寡糖类、12个环烯醚萜类、58个蒽醌类化合物和32个其他类化合物;推断出8个未知化合物,包括1个有机酸、2个苷类化合物、5个环烯醚萜类成分,其中4个是潜在的新化合物,另外4个为巴戟天中首次发现的化合物。该方法可对巴戟天药材中的化学成分进行快速、全面的分析,为巴戟天药材的质量控制和药效物质基础研究奠定基础。
[Abstract]:The chemical constituents of Morinda officinalis were quickly identified by UPLC-Q-TOF MS~E technique and UNIFI database screening method. For the known compounds, the names, molecular formula, structure formula and other information are used to supplement and perfect the UNIFI database, and the data are screened, based on the accurate molecular mass, characteristic ions, neutral lost MS-MS cleavage law, chromatographic retention behavior, etc. The unknown components were characterized according to their precise molecular weight, mass spectrum fragmentation fragments, chromatographic retention behavior and known characteristic fragments of similar compounds. A total of 110 compounds were identified, including 8 oligosaccharides, 12 ionomer terpenoids, 58 anthraquinones and 32 other compounds. It consists of 1 organic acid, 2 glycosides, 5 terpenoids, 4 of which are potential new compounds, and 4 are the first compounds found in Morinda officinalis. This method can be used to analyze the chemical constituents of Morinda officinalis rapidly and comprehensively, and lay a foundation for the quality control and the basic research on the pharmacodynamics of Morinda officinalis.
【作者单位】：北京中医药大学中药学院;北京中医药大学北京中医药研究院;
【基金】：教育部大学生创新性实验计划项目(201610026050)资助
【分类号】：R284.1;O657.63

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