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首页> 外文期刊>RSC Advances >Applying target data screening followed by characteristic fragment filtering for the comprehensive screening and identification of alkaloids in Corydalis yanhusuo W. T. Wang by UPLC-Q-TOF/MSE
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Applying target data screening followed by characteristic fragment filtering for the comprehensive screening and identification of alkaloids in Corydalis yanhusuo W. T. Wang by UPLC-Q-TOF/MSE

机译：应用目标数据筛选，然后进行综合筛选和鉴定Corydalis Yanhusuo W.T. Wang的综合筛选和鉴定的特征片段滤波。王Culc-Q-Tof / MSE

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摘要

A target data screening strategy followed by characteristic fragment filtering by UPLC-Q-TOF/MSE was developed for rapidly and comprehensively identifying alkaloids in Corydalis yanhusuo W. T. Wang (Yanhusuo). The proposed strategy consisted of the following four steps. (1) Fragmental patterns and characteristic fragments of various types of alkaloids were summarized based on the reference compounds and previous reference literature. (2) Target data screening was conducted and data screening tables involving various types of alkaloids were constructed referring to the structural characteristics of alkaloids, the type and number of substituents, and characteristic fragments. This data screening table includes all possible molecular weights of various types of alkaloids. (3) The raw data detected by UPLC-Q-TOF/MSE were screened preliminarily using data screening tables, then characteristic fragment filtering was used to rapidly recognize various types of alkaloids. (4) A comparison was made with retention time, accurate mass, MS/MS fragmentation and online databases, as well as a reference to related literature to validate the data. As a result, a total of 86 compounds were identified or characterized, including 24 tetrahydroprotoberberine alkaloids, 22 protoberberine alkaloids, 6 protopine alkaloids, 12 aporphine alkaloids and 22 other compounds. Among them, 8 were potentially new compounds, and 5 components were discovered in Yanhusuo for the first time. The method proposed in this paper was proved to be an efficient data processing approach to rapidly discover and characterize chemical constituents from complicated herbal extracts, without the help of standard substances. Furthermore, this research enriched the material basis of Yanhusuo and provided meaningful guidance for the discovery of potentially new compounds.
机译：通过UPLC-Q-TOF / MSE进行特征碎片滤波的目标数据筛选策略，用于迅速，全面地识别Corydalis Yanhusuo W.T. Wang（Yanhusuo）的生物碱。拟议的策略由以下四个步骤组成。 （1）基于参考化合物和先前的参考文献，总结了各种类型生物碱的碎片模式和特征片段。 （2）进行靶数据筛选，并涉及各种类型生物碱的数据筛查表是指生物碱的结构特征，取代基的类型和数量和特征碎片。该数据筛选表包括各种类型的生物碱的所有可能的分子量。 （3）通过数据筛选表预先筛选UPLC-Q-TOF / MSE检测到的原始数据，然后使用特征片段滤波来快速识别各种类型的生物碱。 （4）使用保留时间，精确的质量，MS / MS碎片和在线数据库进行比较，以及对相关文献的引用来验证数据。结果，共鉴定或表征了总共86种化合物，包括24个四氢丙杂啤酒生物碱，22个激烈的生物碱，6种普通生物碱，12个间位生物碱和22种其他化合物。其中，8个是潜在的新化合物，第一次在Yanhusuo发现了5种成分。本文提出的方法被证明是一种有效的数据处理方法，可以快速发现和表征来自复杂的草药提取物的化学成分，而不是标准物质的帮助。此外，本研究丰富了Yanhusuo的物质基础，并为潜在的新化合物提供了有意义的指导。

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  • 来源
    《RSC Advances》 |2017年第84期|共7页
  • 作者

    Wang Meiling; Liu Yuehong; Fu Shuang; Zhang Qingqing; Wang Qing; Gao Xiaoyan;

  • 作者单位

    Beijing Univ Chinese Med Sch Chinese Pharm Sch Chinese Mat Med East Baiyang Rd Beijing 102488 Peoples R China;

    Beijing Univ Chinese Med Sch Chinese Pharm Sch Chinese Mat Med East Baiyang Rd Beijing 102488 Peoples R China;

    Beijing Univ Chinese Med Sch Chinese Pharm Sch Chinese Mat Med East Baiyang Rd Beijing 102488 Peoples R China;

    Beijing Univ Chinese Med Sch Chinese Pharm Sch Chinese Mat Med East Baiyang Rd Beijing 102488 Peoples R China;

    Beijing Univ Chinese Med Sch Chinese Pharm Sch Chinese Mat Med East Baiyang Rd Beijing 102488 Peoples R China;

    Beijing Univ Chinese Med Sch Chinese Pharm Sch Chinese Mat Med East Baiyang Rd Beijing 102488 Peoples R China;

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