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Multidimensional molecular identification by laser control massspectrometry

机译:激光控制质谱法进行多维分子鉴定

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摘要

Controlled molecular photofragmentation and ionization achieved with shaped femtosecond laser pulses is coupled with mass spectrometry to achieve a powerful multidimensional tool for fast, accurate, reproducible and quantitative molecular identification. Specific pulse shaping functions are introduced to enhance structure-dependent differences in fragmentation fingerprints. Identification of geometric and structural isomer mixtures is demonstrated. Receiver operational (ROC) curves from our experimental data demonstrate the enhanced reliability that can be achieved by femtosecond laser control mass spectrometry. The potential use of this method for identification of chemicals and explosives with no false alarms is discussed.
机译:使用成形的飞秒激光脉冲实现的受控分子光碎裂和离子化与质谱联用,可实现强大的多维工具,以快速,准确,可重现和定量地鉴定分子。引入了特定的脉冲整形功能,以增强碎片指纹中与结构有关的差异。证明了几何和结构异构体混合物的鉴定。我们实验数据中的接收器工作曲线(ROC)证明了飞秒激光控制质谱可以提高可靠性。讨论了这种方法在不误报的情况下识别化学品和爆炸物的潜在用途。

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