三重三维MS/MS频谱在notoginseng中促进了定量性金氏化物向子代谢体的表征
Ke Zhang1, Jinru Jia2, Ting Li1
1Modern Research Center for Traditional Chinese Medicine, Beijing Research Institute of Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029, China.
Acta pharmaceutica Sinica. B
|September 23, 2024
概括
三次三维 (3×3D) -MS/MS光谱全面地图MS/MS行为增强的银酸代谢. 这种方法改善了药用植物的定量分析和结构识别,如notoginseng.
科学领域:
- 分析化学 分析化学
- 代谢学 代谢学 代谢学
- 质谱测量质量谱测量
背景情况:
- 传统的MS/MS缺乏足够的信息来准确定量化表征亚代谢组.
- 诺托金生中的金色化物是关键的生物活性化合物,需要详细分析.
- 现有的方法难以对复杂代谢物进行全面的结构和度分析.
研究的目的:
- 开发和验证用于增强代谢的三重三维 (3×3D) -MS/MS频谱方法.
- 为了更好的定量和结构阐明,全面追踪和破译MS/MS行为.
- 为了在notoginseng.app中应用这种方法来针对人参化物向的代谢.
主要方法:
- 通过不同的度,碰撞能量和刺激能量构建3×3D-MS/MS光谱.
- 使用QTOF-MS和Qtrap-MS仪器进行光谱数据采集.
- 相关的光谱特征与人参酸的结构和度.
主要成果:
- 生成的3×3D-MS/MS光谱显示了度依赖的离子生成和糖化键碎片化.
- 建立了最佳碰撞能量和离子质量之间的定量关系,用于大规模分析.
- 在notoginseng部分中确定了显著的亚代谢差异,并证实了差异性人参.
结论:
- 3×3D-MS/MS频谱方法提供了全面的MS/MS行为映射.
- 这种方法大大促进了定量程序开发和在代谢学中的结构性识别.
- 开发的方法提供了一个强大的工具,用于详细分析复杂的天然产品,如人参化物.
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