[关键词]
[摘要]
本实验基于液质联用代谢组学分析方法对20种不同表型和产地玛咖进行分析,采用超高效液相色谱串联四级杆静电场轨道阱高分辨质谱(Dionex Ultimate 3000-Q Exactive Orbitrap),原始数据经过Compound Discoverer软件处理后通过SIMACA 14.1软件分析可能的标志性代谢物,然后对这些潜在的标志性代谢产物进行二级质谱分析,通过相关文献和数据库(HMDB或NIST)对其进行定性。结果表明按照产地分组的多元变量统计分析中,五个产地的玛咖在OPLS-DA中成功分组,丽江和香格里拉两个产地玛咖在PLS-DA和OPLS-DA中分组成功;三种表型的紫色、黄色和黑色玛咖在PLS-DA和OPLS-DA中分组成功。聚类分析表明黄色、黑色和紫色玛咖各分为不同三类,三种表型玛咖内活性成分差异较大,与OPLS-DA得分图结果相吻合。表明高分辨质谱结合代谢组学技术可用于玛咖不同表型及产地的鉴别。由于目前对于玛咖中代谢物质定性的数据库和文献较少,本实验只定性出黑色玛咖的标志性代谢产物N-苄基-15Z-烯二十四酰胺以及黄色和紫色玛咖标志性代谢产物3-甲氧基苯基乙酸。
[Key word]
[Abstract]
In this experiment, 20 kinds of maca with different phenotypes and producing areas were analyzed by Ultra high performance liquid chromatography tandem quadrupole electrostatic field orbital trap high resolution mass spectrometry (Dionex Ultimate 3000-Q Exactive Orbitrap). The original data were processed by Compound Discoverer software and then processed by SIMACA 14.1 to find the potential marker metabolites, which were analyzed by secondary mass spectrometry and qualitatively determined by relevant literature and databases (HMDB or NIST). The results of multivariate statistical analysis showed that maca from different origins were grouped successfully by OPLS-DA. Maca from Lijiang and Shangri-la areas were successfully grouped in PLS-DA and OPLS-DA. Purple, yellow and black Maca were grouped successfully in PLS-DA and OPLS-DA. Cluster analysis showed that yellow, black and purple Maca could be divided into three categories, and the active components of the three phenotypes were different. This was consistent with the results of OPLS-DA. The marker metabolites of Maca from different phenotypes were identified by multivariate statistical analysis, which were characterized according to their MS2 information. The results showed that high resolution mass spectrometry combined with metabonomics could be used to identify different phenotypes and origin of Maca. However, due to the lack of databases and literatures on the qualitative characterization of metabolites in Maca, only two metabolites, N-Benzyl-15Z-tetracosenamide and 3-methoxy-phenylacetic acid, were identified in this study.
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