超高效液相色谱-串联四极杆静电场轨道阱质谱法快速鉴定沃柑果皮的化学成分

Rapid identification of the chemical components in Wogam peel by ultra performance liquid chromatography-tandem quadrupole electrostatic field orbital trap mass spectrometry

中文关键词:  沃柑  沃柑果皮  超高效液相色谱-串联四极杆静电场轨道阱质谱法

英文关键词:Wogam peel  ultra performance liquid chromatography-tandem quadrupole electrostatic field orbital trap mass spectrometry  chemical component

中文摘要:

      目的 采用超高效液相色谱-串联四极杆静电场轨道阱质谱法(ultra performance liquid chromatography-tandem quadrupole electrostatic field orbital trap mass spectrometry, UPLC-QE-MS)结合多种数据解析方式对沃柑果皮化学成分进行快速鉴定。方法 样品采用Thermo Scientific Hypersil GOLD AQ (2.1 mm×100 mm, 1.9 μm)色谱柱分离, 在流动相A (0.1%甲酸-乙腈)和流动相B (0.1%甲酸-水)中进行梯度洗脱; 以电喷雾离子源在正负离子模式下, 通过一级全扫描和二级离子扫描的方式采集沃柑果皮各化学成分信号。根据仪器软件Trace Finder中的中药成分高分辨质谱数据及Compound Discoverer3.2软件筛查网络数据库与样品的一级离子、主要二级离子等相识度对比、并结合化合物可能裂解途径及查阅相关文献报道等多种方式对化学成分进行鉴定, 综合分析判断, 确定成分。结果 通过查阅文献及高分辨质谱数据与数据库比较, 化合物解析等方式从沃柑果皮中鉴定出11类共52个化合物, 其中: 醛类1个, 有机酸类5个, 生物碱类2个, 萜类5个, 酮类1个, 苯丙素类7个, 香豆素类2个, 核苷类1个, 黄酮类26个, 蒽醌类1个, 木脂素类1个。结论 应用UPLC-QE-MS技术, 结合相关数据库以及文献可实现沃柑果皮化学成分分析, 为沃柑果皮产业化发展提供基础研究。

英文摘要:

      Objective To rapidly identify the chemical components in the peel of Wogam by ultra performance liquid chromatography-tandem quadrupole electrostatic field orbital trap mass spectrometry (UPLC-QE-MS) in combination with various data analysis methods. Methods The samples were separated by Thermo Scientific Hypersil GOLD AQ (2.1 mm×100 mm, 1.9 μm) chromatographic column using solution A (0.1% formic acid-acetonitrile) and solution B (0.1% formic acid-water) as the mobile phase in a gradient elution mode. In the positive and negative ion mode, the electrical spray ion source was used to collect the signals of various chemical components in the peel of Wogam by means of one-step full scanning and two-stage ion scanning. Based on the high-resolution mass spectrometry data of traditional Chinese medicine components in the Trace Finder software and the screening network database of Compound Discoverer 3.2 software, the identification of chemical components were carried out by comparing the recognition of primary ions, major secondary ions, and other factors of the sample, as well as combining the possible cleavage pathways of the compound and consulting relevant literature reports. Through comprehensive analysis and judgment, the components were determined. Results Through literature review and comparison with high-resolution mass spectrometry data and databases, as well as compound analysis, a total of 52 compounds belonging to 11 categories were identified from the peel of Wogam, including 1 aldehyde, 5 organic acids, 2 alkaloids, 5 terpenes, 1 ketone, 7 phenylpropanoids, 2 coumarins, 1 nucleoside, 26 flavonoids, 1 anthraquinone, and 1 lignan. Conclusion The application of UPLC-QE-MS technology, combined with relevant databases and literature, enables the analysis of the chemical components of the peel of Wogam, providing a basis for the industrial development of Wogam peel.