目的 应用超高效液相色谱-四级杆串联飞行时间质谱（UPLC-Q-TOF-MS）研究天竺黄天然品与合成品间化学成分差异。方法 结合在线数据库、二级碎片裂解规律等进行化学成分定性分析；并采用PeakView软件Enhance Peak Find功能进行差异性分析；将转换后数据导入SIMCA-P软件，建立OPLS-DA统计模型，进行差异性次生代谢产物分析。结果 天竺黄的成分类别主要包括氨基酸、有机酸、生物碱、糖苷类等，其中11个已知成分被检出，未曾报道的化合物达43个；分析鉴定出2，5-二甲基-1，3-氧唑-4-羧酸、蔗糖等14个显著差异性成分及4-（庚氧基）苯基-4-（己氧基）苯甲酸酯、N-十二烷基乙醇胺等12个生物标志物。结论 研究发现天竺黄天然品与合成品间化学差异明显，甜菜碱和蔗糖可作为区分两者的鉴别指标，为天竺黄质量控制及药效物质阐明提供新的思路和数据参考。

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.

R284.1

国家重大新药创制项目（2017ZX09101002-002-004）；重庆市科委计划项目（cstc2018jxjl-jbky130005）；重庆市科委计划项目（cstc2017jxjl-jbky130002）；重庆市卫生计生委项目（ZY201702142）；重庆市卫生计生委项目（ZY201802046）。