基于UPLC-Q-TOF-MS技术和PLS-DA分析的五个基原绿绒蒿化学成分差异研究

Study on the difference of five origins of Meconopsis based on UPLC-Q-TOF-MS/MS technology and PLS-DA analysis

该研究对不同基原绿绒蒿的化学成分差异与品种分类基础进行了分析。采用超高效液相色谱-四级杆-飞行时间质谱(UPLC-Q-TOF-MS)对多刺绿绒蒿、总状绿绒蒿、五脉绿绒蒿、全缘绿绒蒿、红花绿绒蒿共49个批次绿绒蒿药材进行检测,ESI源正、负离子扫描模式,将数据结果导入PeakView 1.2软件,以Formula Finder、Mass Calculators、XIC manager等功能及二级碎片裂解规律进行定性分析,并将定性结果建立已知成分筛查表。将数据代入SIMCA-P 14.1软件中,进行可视化处理,构建主成分分析(principal component analysis,PCA)及偏最小二乘法-判别分析(partial least squares discrimination-analysis,PLS-DA)数学模型。结果共检测并分析出75种化学成分;PCA及PLS-DA结果表明从所含化学成分的种类角度出发,多刺绿绒蒿和总状绿绒蒿所含的化学成分种类基本一致,能较好聚集,其他3个基原的绿绒蒿所含化学成分种类差异较大。该研究根据现有文献报道,对绿绒蒿属植物化学成分进行汇总,结合质谱裂解规律对各样品中的化学成分进行推测与对比,为绿绒蒿的品种分类鉴别奠定了基础。

The chemical composition differences and classification basis of different origins of Meconopsis was analysis.Ultra-high performance liquid chromatography-four-stage rod-time-of-flight mass spectrometry(UPLC-Q-TOF-MS)was used to detect a total of 49 batches of Meconopsis horridula Hook.f.&Thoms,Meconopsis racemose Maxim.,Meconopsis quintuplinervia Regel,Meconopsis integrifolia(Maxim).French.and Meconopsis punicea Maxim.The positive and negative ion scanning modes of the ESI source were used to collect information,and the data results were imported into the PeakView 1.2 software.Formula Finder,Mass Calculators,XIC Manager and other functions and secondary fragment cracking rules were used for qualitative analysis,and the qualitative results were used to establish a screening table of known components.Then,the data were substituted into SIMCA-P 14.1 software for visual processing,and the mathematical models of principal component analysis(PCA)and partial least squares discrimination-analysis(PLS-DA)were constructed.The results indicate that a total of 75 chemical compositions were detected and analyzed.The PCA and PLS-DA showed that,from the perspective of the chemical components contained in M.horridula and M.racemose were basically the same and could gather well,while the chemical components contained in the other Meconopsis of three origins were quite different.In this study,according to the existing literature reports,the chemical components of Meconopsis were summarized,and the chemical components in each sample were speculated and compared combined with the regular of mass spectrometry cleavage,and lays a foundation for the classification and identification of Meconopsis species.