跨平台的并联质谱测试.
Corey Hoang1, Winnie Uritboonthai1, Linh Hoang1
1Scripps Center for Metabolomics and Mass Spectrometry, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, United States.
电子喷雾电离双重质谱 (ESI MS/MS) 数据显示,在20 eV的碰撞能量下,在各制造商之间具有很高的一致性. 建议将这种能量标准化,以便可靠地识别小分子.
科学领域:
- 分析化学 分析化学
- 质谱测量质量谱测量
- 化学分析 化学分析
背景情况:
- 在各种科学领域中,小分子识别至关重要.
- 电子喷雾电离与双重质谱学 (ESI MS/MS) 结合,是这种识别的主要工具.
- 跨分析平台的MS/MS数据不一致,妨碍了可靠的分子表征.
研究的目的:
- 评估ESI MS/MS数据在不同仪器制造商和平台上的一致性.
- 为了确定可重现的MS/MS碎片化模式的最佳碰撞能量.
- 为标准化ESIMS/MS协议提供建议,以改善小分子识别.
主要方法:
- 评估了来自五家制造商 (Agilent, Bruker, SCIEX, Waters, Thermo) 仪器上的100个分子标准的MS/MS数据.
- 在多个碰撞能量 (0,10,20,40 eV) 时评估碎片离子变化,使用共弦值得分和碎片计数.
- 进行了MS/MS光谱的视觉分析,以识别和规避错误的描述.
主要成果:
- 在20 eV碰撞能量的仪表平台之间观察到碎片离子m/z值的高一致性.
- MS/MS数据和识别显示,在20 eV的制造商之间有显著的一致性.
- 在其他碰撞能量 (0,10和40 eV) 中发现了较低的一致性.
结论:
- 碰撞能量为20 eV,在不同的质谱平台上产生最一致的ESI MS/MS碎片化数据.
- 建议制造商将碰撞能量标准化为20 eV,以提高分子表征的可靠性.
- 与真正的标准相对应的MS/MS数据的验证对于确保准确的识别仍然至关重要.
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