Chemical differences between natural and synthetic materials of Bambusae Concretio Silicea based on plant metabolomics / 中草药

ABSTRACT

Objective: To study the chemical differences between natural and synthetic of Bambusae Concretio Silicea by ultra-high performance liquid chromatography-quadrupole tandem time-of-flight mass spectrometry (UPLC-Q-TOF-MS). Methods: The qualitative analysis of chemical composition was made combined online database and secondary fragmentation cleavage rules, and difference analysis was carried out by the Enhance Peak Find function of PeakView software. Then the converted data was imported into SIMCA-P software to establish an OPLS-DA statistical model and differential secondary metabolites were analyzed. Results: The constituents of Bambusae Concretio Silicea mainly included amino acids, organic acids, alkaloids, glycosides, etc. Among them, 11 components were known, while other 43 compounds were identified for the first time. A total of 14 distinct components, including 2,5-dimethyl-1,3-oxazole-4-carboxylic acid and sucrose, and 12 biomarkers, including 4-(heptyloxy)phenyl-4-(hexyloxy)benzoate, and N-lauryldiethanolamine were identified. Conclusion: This study reveals that the chemical differences between the two herbs are obvious, while betaine and sucrose can be used as the distinguishing indicators. And it provides new ideas and data references for the quality control and clarification of medicinal substances.