FPS_P/N:一个具有前体离子测定的二维质谱利用程序,用于准确地区分安托西亚尼与其他黄类化合物
Ya-Hui Ge1,2, Lili Zhang1, Shilin Gong1
1State Key Laboratory of Quality Research in Chinese Medicine, Macau Institute for Applied Research in Medicine and Health, Macau University of Science and Technology, Macao SAR, 999078, China.
Journal of pharmaceutical analysis
|February 3, 2026
概括
这项研究引入了一种使用快速极性切换质谱法 (FPS-POS/NEG) 的新方法,以准确地区分素与其他黄类. FPS-POS/NEG策略改善了前体离子的确定,以便在复杂样品中更好地识别化合物.
科学领域:
- 分析化学 分析化学
- 生物化学 生物化学
- 食品科学 食品科学 食品科学
背景情况:
- 作为强大的抗氧化剂的安托西亚宁,使用标准质谱法 (MS) 难以与其他黄酸区分.
- 现有的方法具有低特异性和前体离子混,导致注释不准确.
- 对食品质量和健康研究来说,准确识别安东素至关重要.
研究的目的:
- 开发一种新的策略来区分安托素与其他黄类.
- 为了提高自动双重质谱 (MS) 分析的准确性和效率.
- 在复杂矩阵中建立一种可靠的方法,用于对复杂矩阵中的安东素的高通量合格.
主要方法:
- 开发了一个快速极性切换 (FPS) 策略 (FPS-POS/NEG) 使用正负初级MS (MS1) 强度比.
- 创建了一个自动化程序 (FPS_P/N),集成分子网络,FPS-POS/NEG用于前体离子的确定,以及MS注释.
- 在各种pH条件下验证了FPS-POS/NEG策略,并评估了其准确性和一致性.
主要成果:
- FPS-POS/NEG策略准确地确定了安东素 (5.98-9.28) 和其他黄类的前体离子 (-2.52 到 2.08).
- 通过FPS_P/N程序,可以同时捕获正信号和负信号,从而提高了前体离子的确定性.
- 该方法应用于蓝样本,以高准确度和一致性识别了20种安东和14种其他类黄.
结论:
- FPS-POS/NEG策略和FPS_P/N计划提供了一种新且有效的方法来区分安托素与其他类黄素.
- 这种方法显著提高了复杂样品中安东和相关化合物的高通量合格.
- 这些发现为食品科学,天然产品化学和代谢学研究人员提供了宝贵的工具.
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