扩展校准解决了负模式轨道工作流中的低m/z转移
Francisco José Díaz-Galiano1, Bruno Le Bizec1
1Oniris, INRAE, LABERCA, 44300 Nantes, France.
Journal of the American Society for Mass Spectrometry
|February 3, 2026
概括
确定了影响低质量离子的高分辨率质谱学校准错误. 扩展校准与源内断片解决了Q Exactive仪器中的这些系统性偏差.
科学领域:
- 分析化学 分析化学
- 质谱测量质量谱测量
背景情况:
- 精确的质量测量对于在高分辨率质谱学中识别碎片离子至关重要.
- 在Q Exactive Orbitrap仪器上对 perfluoroalkyl sulfonic acid (PFSA) 的分析显示了低质量离子 (低于m/z 100) 的系统质量误差.
研究的目的:
- 调查Q Exactive Orbitrap仪器中观察到的低质量离子系统质量偏差的原因.
- 开发和验证一种方法来纠正这些质量准确度错误.
主要方法:
- 使用Q Exactive Orbitrap和Exploris 120质谱仪对 perfluoroalkyl sulfonic acid (PFSA) 的比较分析.
- 评估标准校准解决方案与在现场生成的低质量的扩展校准.
主要成果:
- 在Q Exactive上观察到O3S-片段 (m/z 79.9574) 的系统偏差约为-6 ppm,而更高的m/z离子是准确的.
- 该偏差被追溯到标准Q精确校准溶液的有限校准范围,而不是内在的离子性质.
- 通过在现场生成的额外低m/z杆扩展校准,完全纠正了低于m/z 100的离子系统错误.
结论:
- 标准溶液的有限校准范围是Q Exactive仪器中低m/z离子系统质量误差的来源.
- 低m/z校准的现场生成有效地解决了这些错误,而不会影响更高m/z的准确性.
- 这种校准策略提高了对具有低质量碎片的化合物高分辨率质谱分析的可靠性.
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