Characterization of chemical components in the Guanxinning injection by liquid chromatography-mass spectrometry
Characterization of chemical components in the Guanxinning injection by liquid chromatography-mass spectrometry
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DOI：
10.1002/jms.4662
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发表时间：
2020-12-01
影响因子：
2.3
通讯作者：
Li, Zhenyu
中科院分区：
文献类型：
--
作者：
Li, Rongrong;Cui, Yifan;Li, Zhenyu
冠心宁注射液广泛用于治疗脑血栓、脑出血、后遗症、冠心病、心绞痛、心律失常等疾病，对于中药注射液而言，应尽可能多地对其成分进行表征和定量，以保证药物的安全性。然而，GXNI中的大量化学成分仍然未知。本研究采用高效液相色谱-Q Exactive杂化四极杆-轨道阱高分辨精密质谱（UHPLC-Q Orbitrap HRMS）结合核磁共振（NMR）对GXNI中的成分进行了鉴定，共鉴定出194个化合物。借助溶剂分配法，初步鉴定了更多的苯酞、二萜奎宁和丹参酮酸，并检测到其他结构类型的次要化合物。结构网络揭示了GXNI中苯酞类和二萜醌类化合物的结构多样性，并利用特征裂解模式和结构网络进一步检测到6个苯酞类和13个二萜醌类化合物。此外，核磁共振谱还显示了GXNI中存在一系列的初级代谢产物，为中药化学成分的快速鉴定提供了一种辅助手段。然而，GXNI的未知NMR信号需要进一步鉴定，以保证药物的安全性。
Guanxinning injection (GXNI) is widely used in the treatments of cerebral thrombosis, cerebral hemorrhage, sequela, coronary disease, stenocardia, arrhythmia, and so on. For the herbal injections, more components should be characterized and quantified as much as possible to guarantee the drug safety. However, large numbers of the chemical constituents in the GXNI still remain unknown. In this study, ultrahigh performance liquid chromatography-Q Exactive hybrid quadrupole-orbitrap high-resolution accurate mass spectrometry (UHPLC-Q Orbitrap HRMS), in combination of nuclear magnetic resonance (NMR), was used to identify the components in GXNI, which led to the identification of 194 compounds. With the aid of solvent partition, more phthalides, diterpenoid quinines, and salvianolic acids were tentatively identified, and minor compounds with the other structural types were also detected. The structural diversity of phthalides and diterpenoid quinones were revealed by the structural network, and six phthalides and 13 diterpenoid quinones were further detected in GXNI with the help of the characteristic fragmentation pattern and structural network. In addition, NMR also revealed the presence of a series of primary metabolites in the GXNI, which could be used as a complimentary approach for the rapid identification of the chemical components in the traditional Chinese medicines (TCM). However, the unknown NMR signals of GXNI needed to be further identified to guarantee the drug safety.