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采用超高效液相色谱四极杆飞行时间串联质谱法的特征离子过滤技术,快速检测和鉴定杜仲中的化学成分

Application of characteristic ion filtering with ultra-high performance liquid chromatography quadrupole time of flight tandem mass spectrometry for rapid detection and identification of chemical profiling in Eucommia ulmoides Oliv.

机构信息

Jiangxi University of Traditional Chinese Medicine, No. 818 Yunwan Road, Nanchang 330002, PR China.

Nanchang Insitute for Food and Drug Control, No. 299 Diezihu Road, Nanchang 330038, PR China.

出版信息

J Chromatogr A. 2018 Jun 15;1554:81-91. doi: 10.1016/j.chroma.2018.04.036. Epub 2018 Apr 17.

Abstract

Efficient targeted identification of chemical constituents from traditional Chinese medicine is still a major challenge. In this study, we used a characteristic ion filtering strategy to characterize compounds of Eucommia ulmoides Oliv. by ultra-high performance liquid chromatography quadrupole time of flight tandem mass spectrometry (UHPLC-ESI-Q-TOF-MS/MS). By using the ion filtering approach, target constituents of Eucommia ulmoides Oliv. were easily tentatively identified from the enormous LC/MS data set. The strategy consisted of the following three steps: 1) To establishing a characteristic ion database by diagnostic product ions or neutral loss fragments; 2) To evaluate the structural information of the compounds by high-resolution diagnostic characteristic ion filtering; 3) To confirm the different classes by chemical profiling according to their MS/MS spectra. In this study, characteristic ions are summarized as five major groups of compounds in Eucommia ulmoides Oliv. In total, 113 compounds were tentatively identified, including 23 potentially novel compounds. The results form a foundation for the quality control and chemical basis of Eucommia ulmoides Oliv.

摘要

从中药中高效靶向鉴定化学物质仍然是一个主要挑战。在这项研究中,我们使用特征离子过滤策略,通过超高效液相色谱-电喷雾四极杆飞行时间串联质谱法(UHPLC-ESI-Q-TOF-MS/MS)对杜仲中的化合物进行了表征。通过使用离子过滤方法,杜仲的目标成分很容易从庞大的 LC/MS 数据集进行初步鉴定。该策略包括以下三个步骤:1)通过诊断产物离子或中性丢失碎片建立特征离子数据库;2)通过高分辨率诊断特征离子过滤评估化合物的结构信息;3)根据其 MS/MS 光谱通过化学特征分析确认不同类别。在这项研究中,特征离子总结为杜仲中的五类化合物。总共,113 种化合物被初步鉴定,其中包括 23 种潜在的新化合物。该结果为杜仲的质量控制和化学基础奠定了基础。

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