Zhang, Fengyu; Li, Bichen; Wen, Ying; Liu, Yanyang; Liu, Rong; Liu, Jing; Liu, Shao; Jiang, Yueping published the artcile< An integrated strategy for the comprehensive profiling of the chemical constituents of Aspongopus chinensis using UPLC-QTOF-MS combined with molecular networking>, Reference of 2873-36-1, the main research area is Aspongopus phytochemical UPLCQTOF MS molecular networking; Dereplication; cluster of nodes; mass spectrometry data; self-built database; targeted and untargeted strategy; traditional insect medicine.
ContextThe extracts of Aspongopus chinensis Dallas (Pentatomidae), an insect used in traditional Chinese medicine, have a complex chem. composition and possess multiple pharmacol. activities. ObjectiveThis study comprehensively characterizes the chem. constituents of A. chinensis by an integrated targeted and untargeted strategy using UPLC-QTOF-MS combined with mol. networking. Materials and methodsThe ultra-performance liquid chromatog.-tandem quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS) combined with mol. networking-based dereplication was proposed to facilitate the identification of the chem. constituents of aqueous and ethanol extracts of A. chinensis. The overall strategy was designed to avoid the inefficiency and costliness of traditional techniques. The targeted compounds discovered in the A. chinensis extracts were identified by searching a self-built database, including fragment ions, precursor ion mass, and other structural information. The untargeted compounds were identified by analyzing the relationship between different categories, fragmentation pathways, mass spectrometry data, and the structure of the same cluster of nodes within the mol. network. The untargeted strategy was verified using com. standard samples under the same mass spectrometry conditions. ResultsThe proposed integrated targeted and untargeted strategy was successfully applied to the comprehensive profiling of the chem. constituents of aqueous and ethanol extracts of A. chinensis. A total of 124 compounds such as fatty acids, nucleosides, amino acids, and peptides, including 74 compounds that were reported for the first time, were identified in this study. ConclusionsThe integrated strategy using LC tandem HRMS combined with mol. networking could be popularised for the comprehensive profiling of chem. constituents of other traditional insect medicines.
Pharmaceutical Biology (Abingdon, United Kingdom) published new progress about Aspongopus chinensis. 2873-36-1 belongs to class pyrazines, and the molecular formula is C11H18N2O2, Reference of 2873-36-1.