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Accurate identification of dimers from alpha-pinene oxidation using high-resolution collision-induced dissociation mass spectrometry

机译:使用高分辨率碰撞诱导的解离质谱法精确鉴定α-醌氧化的二聚体

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摘要

Interest in mass spectrometry of highly oxidized dimers from alpha-pinene oxidation has increased in the atmospheric chemistry field. Here, we apply high-resolution collision-induced dissociation mass spectrometry (HR-CID-MS) with an atmospheric pressure ionization source to investigate in detail how alpha-pinene-derived dimers are detected and identified by MS. The resulting HR-CID spectra and specific fragmentation patterns suggest that a large fraction of dimer ions detected in full-scan mass spectra can be hydrogen-bonded artifact clusters and the residual small fraction includes covalently bonded actual dimers. We also show how individual fractions of the artifact clusters and actual dimers are calculated using the HR-CID spectra.
机译:大气化学磁场中,高氧化二聚体对高氧化二聚体的兴趣增加。 这里,我们使用大气压电离源应用高分辨率碰撞诱导的解离质谱(HR-CID-MS)以详细研究α-突烯 - 衍生的二聚体如何被MS检测和鉴定。 得到的HR-CID光谱和特定的碎片模式表明,在全扫描质谱中检测到的大部分二聚体离子可以是氢键的伪影簇,并且残留的小部分包括共价键合的实际二聚体。 我们还展示了使用HR-CID光谱计算伪影簇和实际二聚体的单个分数。

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