For the characterization of the chemical composition of complex matrices such as tobacco smoke, containing more than 6000 constituents, several analytical approaches have to be combined to increase compound coverage across the chemical space. Furthermore, the identification of unknown molecules requiring the implementation of additional confirmatory tools in the absence of reference standards, such as tandem mass spectrometry spectra comparisons and in silico prediction of mass spectra, is a major bottleneck.

中文翻译：

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一种适用于香烟烟雾的复杂基质表征方法，该方法将非分析型液相色谱与高分辨率质谱的多种分析方法和化合物鉴定策略相结合

为了表征包含超过6000种成分的复杂基质（例如烟草烟雾）的化学成分，必须结合多种分析方法来增加整个化学空间中化合物的覆盖率。此外，鉴定未知分子需要在没有参考标准的情况下实施其他验证工具，例如串联质谱比较和质谱的计算机模拟，这是一个主要瓶颈。