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首页> 外文期刊>Journal of mass spectrometry: JMS >Elucidation of artefacts in proton transfer reaction time-of-flight mass spectrometers
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Elucidation of artefacts in proton transfer reaction time-of-flight mass spectrometers

机译：质子转移反应飞行时间质谱仪的伪成物的阐明

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摘要

We present an effective procedure to differentiate instrumental artefacts, such as parasitic ions, memory effects, and real trace impurities contained in inert gases. Three different proton transfer reaction mass spectrometers were used in order to identify instrument-specific parasitic ions. The methodology reveals new nitrogen- and metal-containing ions that up to date have not been reported. The parasitic ion signal was dominated by [N-2]H+ and [NH3]H+ rather than by the common ions NO+ and O-2(+). Under dry conditions in a proton transfer reaction quadrupole interface time-of-flight mass spectrometer (PTR-QiTOF), the ion abundances of [N-2]H+ were elevated compared with the signals in the presence of humidity. In contrast, the [NH3]H+ ion did not show a clear humidity dependency. On the other hand, two PTR-TOF1000 instruments showed no significant contribution of the [N-2]H+ ion, which supports the idea of [N-2]H+ formation in the quadrupole interface of the PTR-QiTOF. Many new nitrogen-containing ions were identified, and three different reaction sequences showing a similar reaction mechanism were established. Additionally, several metal-containing ions, their oxides, and hydroxides were formed in the three PTR instruments. However, their relative ion abundancies were below 0.03% in all cases. Within the series of metal-containing ions, the highest contribution under dry conditions was assigned to the [Fe(OH)(2)]H+ ion. Only in one PTR-TOF1000 the Fe+ ion appeared as dominant species compared with the [Fe(OH)(2)]H+ ion. The present analysis and the resulting database can be used as a tool for the elucidation of artefacts in mass spectra and, especially in cases, where dilution with inert gases play a significant role, preventing misinterpretations.
机译：我们提出了一种有效的程序来区分惰性离子，记忆效应和惰性气体中含有的寄生离子，记忆效应和实际痕量杂质的有效方法。使用三种不同的质子转移反应质谱仪以识别特定仪器特异性寄生离子。该方法揭示了迄今为止迄今为止的含氮和含金属的离子。寄生离子信号由[N-2] H +和[NH 3] H +而不是通过共同离子NO +和O-2（+）来支配。在质子转移反应中的干燥条件下，在质子转移反应四极界面飞行时间质谱仪（PTR-QITOF），与湿度存在下的信号相比，升高了[N-2] H +的离子丰度。相反，[NH3] H +离子没有显示出明显的湿度依赖性。另一方面，两种PTR-TOF1000仪器显示[N-2] H +离子没有显着贡献，该贡献支持PTR-QITOF的四极接口中[N-2] H +形成的思想。鉴定了许多新的含氮离子，并建立了三种不同的反应序列。另外，在三个PTR仪器中形成了几种含金属离子，氧化物和氢氧化物。然而，在所有病例中，它们的相对离子丰度低于0.03％。在含金属离子系列中，将干燥条件下的最高贡献分配给[Fe（OH）（2）] H +离子。只有在一个PTR-TOF1000中，与[Fe（OH）（2）] H +离子相比，Fe +离子出现为优势物种。本分析和所得到的数据库可以用作阐明质谱中的人工制品的工具，特别是在用惰性气体稀释的情况下发挥重要作用，防止误解。

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