通过引入假定分析剂度来提高SIFT-MS挥发性指纹的稳定性
Amina Benchennouf1, Matthias Corion2, Angelica Dizon1
1KU Leuven, BIOSYST-MeBioS Postharvest group, Willem de Croylaan 42, B-3001 Leuven, Belgium.
Journal of the American Society for Mass Spectrometry
|August 8, 2023
概括
选择性离子流管质谱 (SIFT-MS) 指纹数据波动通过一种新的方法减少. 这种方法将离子计数转换为假设度,提高大规模挥发性分析的数据可靠性.
科学领域:
- 分析化学 分析化学
- 频谱测量是一种光谱测量.
- 挥发性有机化合物分析分析
背景情况:
- 选择性离子流管质谱 (SIFT-MS) 是一种用于挥发性化合物检测和量化的关键技术.
- SIFT-MS可以在目标 (白框) 或指纹 (黑框) 模式中运行.
- 结合来自大型实验的SIFT-MS全扫描数据是具有挑战性的,因为信号漂移.
研究的目的:
- 开发一种可靠的方法来纠正SIFT-MS指纹数据中的信号波动.
- 提高SIFT-MS数据的可靠性,用于多批次和长期研究.
- 为了使随着时间的推移更准确地分析挥发性化合物概况.
主要方法:
- 对于SIFT-MS指纹检测,提出了一种新的数据校正方法.
- 来自全扫描的产品离子被视为单个化合物.
- 离子计数率被转换为假设的分析剂度.
- 该方法使用三年实验数据进行了验证.
主要成果:
- 拟议的方法显著减少了SIFT-MS数据中系统诱导的波动.
- 对总信号强度的规范化对于大规模数据集来说是不够的.
- 新方法加强了对生物或化学相关变化的关注.
- 在多批和长期实验中观察到更好的数据一致性.
结论:
- 开发的方法有效地纠正SIFT-MS指纹识别中的信号变化.
- 将离子计数转换为假设度为数据分析提供了更稳定的基础.
- 这种方法增强了SIFT-MS的实用性,用于复杂的大规模波动性分析.
- 这些发现有助于更可靠地解释SIFT-MS指纹数据.
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