对于可互操作的多实验室综合组合分析的FT-ICR-MS仪器的协调
Stefan A Pieczonka1,2, Mary J Thomas3, Philippe Schmitt-Kopplin1,2
1Analytical Food Chemistry, TUM School of Life Sciences, Technical University of Munich, 85354 Freising, Germany.
Analytical chemistry
|April 10, 2025
概括
为了数据的一致性,在不同里埃变换离子循环子子共振质谱仪 (FT-ICR MS) 仪器之间实现可比的分子概况至关重要. 这项研究表明,仔细的仪器调整使得高频谱重叠和可靠的数据,即使在不同的FT-ICRMS系统.
科学领域:
- 分析化学 分析化学
- 质谱测量质量谱测量
- 环境科学 环境科学
背景情况:
- 里埃变换离子循环子共振质谱仪 (FT-ICR MS) 仪器的运行寿命长,但设计不断发展.
- 构成光谱可比性的变化是一个关键问题,特别是在直接输液方法中.
- 确保FT-ICR MS不同代和模型的数据一致性对于长期研究至关重要.
研究的目的:
- 用不同的仪器模型证明FT-ICR MS分子谱的实验室间可比性.
- 评估先进的细胞技术 (Infinity Cell和ParaCell) 对光谱数据质量的影响.
- 在多种FT-ICRMS平台上验证复杂样品分子分析的可靠性.
主要方法:
- 使用了一个12T solariX (无限电池) 和一个7T scimaX (ParaCell) FT-ICR MS.
- 采用密切匹配的样品引入和离子导引系统.
- 分析了具有分析挑战性的物食样本,并进行了无监督的多变量分析 (PCA).
主要成果:
- 实现了类似的仪器性能指标 (解析能力,质量误差,特征数量,S/N比率,m/z分布).
- 观察到高光谱重叠 (高达78%,高强度特征高达95%) 和类似的相对丰度.
- 帕拉塞尔证明了空间电荷干扰的减少,避免了专门的校准方法.
- PCA揭示了一致的样本配置文件,在各种仪器中没有系统偏差.
结论:
- 仔细的仪器调整使不同FT-ICRMS系统之间的分子配置可比.
- 高频谱重叠和一致的数据质量是可以实现的,支持使用广泛的数据库.
- 这种可比性确保了FT-ICR MS长期和合作项目的数据的持续相关性.
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