Characterization of chemical components in the Guanxinning injection by liquid chromatography–mass spectrometry

Abstract

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.

Magnetic Ti3C2 MXene Nanosheets Prepared for Enrichment of Phosphopeptides

“…The application of the proposed method in traditional Chinese medicine injections (TCMIs) was further performed. TCMIs, composed of active substances from traditional Chinese medicines, have been widely used in clinical practice. − With the increased application of TCMIs, the reported adverse drug reactions (ADRs), including acute allergic reactions, have been non-negligible in medication. Yet, the mechanism of how most TCMIs work or react with the human body remains unclear due to the complex components from natural materials including plants, animal products, and minerals. − Among all the possible factors that cause ADRs, macromolecular components including protein remnants from plants and animals, especially that from plants, could be dangerous if injected into the human body.…”

Comprehensive Chemical Characterization of Qingkailing Capsules by Ultra-High-Performance Liquid Chromatography Combined with Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

“…Among them, compounds 46, 111, 169, 186, 195, 204, 212, 234, 248, and 267 were unambiguously identified as chlorogenic acid, scutellarin, baicalin, luteolin, wogonoside, apigenin, baicalein, wogonin, cholic acid, and hyodeoxycholic acid by comparing the data to reference standards. Additionally, the characterization of other chemical constituents was based on the retention time, accurate molecular mass, and MS/MS data [16][17][18][21][22][23][24][25][26][27]. The base peak intensity chromatograms of the Qingkailing capsules in the positive and negative modes are shown in Figure 1, and the retention time, accurate molecular mass in positive and negative modes, mass error, predicted molecular formula, and MS/MS fragment ions of the identified compounds are summarized in Table S1.…”

Systematic Screening of the Chemical Constituents of Lanqin Oral Liquid by Ultra-High-Performance Liquid Chromatography Combined with Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

“…The isomers of compounds with the same molecular formula but different chemical structures were distinguished by characteristic MS/MS fragments and retention time compared with the reference standards and the literature data. In total, 441 chemical constituents, including 134 flavonoids, 88 alkaloids, 108 terpenoids, 51 organic acids, 29 phenylpropanoids, and 31 other compounds in Lanqin oral liquid were unambiguously identified when reference standards were available or tentatively characterized when reference standards were not available by analyzing their MS/MS fragmentation patterns and retention behaviors in comparison with reference standards and the literature data [7][8][9][10][14][15][16][17][18][19][20][21][22][23][24][25][26][27]. The details of the identified compounds are summarized in Tables 1-5.…”