5,6,7,4′-四羟基黄酮和5,6,7,4′-四甲氧基黄酮高分辨电喷雾串联质谱裂解规律对比研究

发布时间：2018-04-17 13:05

本文选题：′-四羟基黄酮 + ′-四甲氧基黄酮　；参考：《质谱学报》2016年05期

【摘要】：以5,6,7,4′-四羟基黄酮和5,6,7,4′-四甲氧基黄酮为例,运用高分辨电喷雾串联质谱在正离子模式下(HR-ESI-MS/MS)获得的碎片离子,根据一、二级质谱离子的精确质荷比,分别推导出两种黄酮可能的裂解途径,并比较多甲氧基、多羟基黄酮质谱裂解规律的异同。结果表明:在正离子模式下,5,6,7,4′-四羟基黄酮和5,6,7,4′-四甲氧基黄酮的一级质谱均可获得稳定的准分子离子。5,6,7,4′-四羟基黄酮的二级质谱碎片离子由准分子离子[M+H]+经RDA裂解及进一步脱水和(或)脱一氧化碳中性分子产生,直接由准分子离子脱水及一氧化碳中性分子获得的碎片离子丰度比较低;5,6,7,4′-四甲氧基黄酮二级质谱碎片即可由准分子离子[M+H]+直接经RDA裂解,还可先脱去乙烷或甲烷中性分子再经RDA裂解(1,3断裂)获得。此外,该化合物还有大量的碎片离子是由准分子离子[M+H]+分别经脱水、甲烷、乙烷或进一步脱甲基、一氧化碳而获得。两个化合物质谱碎片的比较结果表明,多甲氧基黄酮的二级质谱碎片裂解机制更复杂,碎片信息更丰富。该方法可为黄酮类化合物成分的快速定性分析提供支持,也可为黄酮类化合物体内代谢产物的LC-MS/MS鉴定提供依据。
[Abstract]:Using 5,6,7,4 '- four' - hydroxy flavone and 5,6,7,4 7-tetramethoxflavone as an example, the use of high resolution electrospray tandem mass spectrometry in positive ion mode (HR-ESI-MS/MS) fragment ions, obtained according to a two, MS ion mass are derived accurately, two kinds of possible fragmentation pathway of flavonoids, and more methoxy poly hydroxy flavone, similarities and differences of fragmentation pattern. The results showed that: in the positive ion mode, MS can be 5,6,7,4 '- four' - hydroxy flavone and 5,6,7,4 7-tetramethoxflavone obtained stable ionic excimer.5,6,7,4 '- two MS fragment ions four hydroxy flavone by ionic excimer [M+H]+ by RDA cracking and further dewatering and removal of carbon monoxide (or) neutral molecules, the abundance of fragment ions obtained directly by excimer ion dehydration and carbon monoxide of neutral molecules is relatively low; 5,6,7,4' - 7-tetramethoxflavone two class quality The spectrum can be debris by ionic excimer [M+H]+ directly through RDA cracking, can also remove ethane or methane molecules by RDA lysis (1,3 fracture). In addition, the compound has a large number of fragment ions by ionic excimer [M+H]+ respectively by dehydration, methane, ethane or further demethylation, and carbon monoxide. Results two compounds MS fragments showed that two MS fragmentation mechanism of polymethoxyflavonoids from more complex pieces of information more abundant. The method for rapid qualitative analysis of flavonoids and provide support, but also can provide a basis for LC-MS/MS identification of flavonoid metabolites in vivo.

【作者单位】：上海交通大学药学院;
【基金】：傣族药“肾茶”治疗慢性肾炎的物质基础及其研究方法课题(81173655)资助
【分类号】：O657.63

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