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.

中文翻译：

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液相色谱-质谱法表征冠心宁注射液中的化学成分

冠心宁注射液（GXNI）广泛用于脑血栓形成，脑出血，后遗症，冠心病，心动过速，心律不齐等的治疗。对于草药注射剂，应尽可能鉴定和定量更多成分，以保证药物安全性。但是，GXNI中的大量化学成分仍然未知。在这项研究中，结合核磁共振（NMR）使用超高效液相色谱-Q Exactive混合四极杆-Orbitrap高分辨率精确质谱（UHPLC-Q Orbitrap HRMS）来鉴定GXNI中的成分，从而鉴定194种化合物。借助溶剂分配，初步确定了更多的邻苯二甲酸盐，二萜类奎宁和丹酚酸，还检测到了其他结构类型的次要化合物。通过结构网络揭示了邻苯二甲酸盐和二萜类醌的结构多样性，并借助特征性的碎裂模式和结构网络进一步在GXNI中检测到了六种邻苯二甲酸盐和13种二萜类醌。此外，NMR还显示GXNI中存在一系列主要代谢产物，可以用作快速鉴定中药（TCM）中化学成分的补充方法。但是，需要进一步鉴定GXNI的未知NMR信号以保证药物安全性。借助特征性的碎裂模式和结构网络，在GXNI中进一步检测到6种邻苯二甲酸酯和13种二萜类醌。此外，NMR还显示GXNI中存在一系列主要代谢产物，可以用作快速鉴定中药（TCM）中化学成分的补充方法。但是，需要进一步鉴定GXNI的未知NMR信号以保证药物安全性。借助特征性的碎裂模式和结构网络，在GXNI中进一步检测到6种邻苯二甲酸酯和13种二萜类醌。此外，NMR还显示GXNI中存在一系列主要代谢产物，可以用作快速鉴定中药（TCM）中化学成分的补充方法。但是，需要进一步鉴定GXNI的未知NMR信号以保证药物安全性。该方法可作为快速鉴定中药（TCM）中化学成分的补充方法。但是，需要进一步鉴定GXNI的未知NMR信号以保证药物安全性。该方法可作为快速鉴定中药（TCM）中化学成分的补充方法。但是，需要进一步鉴定GXNI的未知NMR信号以保证药物安全性。