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Determination of trace compounds and artifacts in nitrogen background measurements by proton transfer reaction time-of-flight mass spectrometry under dry and humid conditions
Journal of Mass Spectrometry ( IF 2.3 ) Pub Date : 2021-07-09 , DOI: 10.1002/jms.4777
Jorge Iván Salazar Gómez 1 , Martha Sojka 1 , Christian Klucken 1 , Robert Schlögl 1, 2 , Holger Ruland 1
Affiliation  

A qualitative analysis was applied for the determination of trace compounds at the parts per trillion in volume (pptv) level in the mass spectra of nitrogen of different qualities (5.0 and 6.0) under dry and humid conditions. This qualitative analysis enabled the classification and discovery of hundreds of new ions (e.g., [Sx]H+ species) and artifacts such as parasitic ions and memory effects and their differentiation from real gas impurities. With this analysis, the humidity dependency of all kind of ions in the mass spectrum was determined. Apart from the inorganic artifacts previously discovered, many new organic ions were assigned as instrumental artifacts and new isobaric interferences could be elucidated. From 1140 peaks found in the mass range m/z 0–800, only 660 could be analyzed due to sufficient intensity, from which 463 corresponded to compounds. The number of peaks in nitrogen proton transfer reaction (PTR) spectra was similarly dominated by nonmetallic oxygenated organic compounds (23.5%) and hydrocarbons (24.1%) Regarding only gas impurities, hydrocarbons were the main compound class (50.2%). The highest contribution to the total ion signal for unfiltered nitrogen under dry and humid conditions was from nonmetallic oxygenated compounds. Under dry conditions, nitrogen-containing compounds exhibit the second highest contribution of 89% and 96% for nitrogen 5.0 and 6.0, respectively, whereas under humid conditions, hydrocarbons become the second dominant group with 69% and 86% for nitrogen 5.0 and 6.0, respectively. With the gathered information, a database can be built as a tool for the elucidation of instrumental and intrinsic gas matrix artifacts in PTR mass spectra and, especially in cases, where dilution with inert gases plays a significant role.

中文翻译:

在干燥和潮湿条件下通过质子转移反应飞行时间质谱法测定氮背景测量中的痕量化合物和伪影

在干燥和潮湿条件下,对不同质量(5.0 和 6.0)的氮的质谱图中的万亿分之一体积 (ppt v ) 水平的痕量化合物进行了定性分析。这种定性分析能够分类和发现数百种新离子(例如,[S x ] H +种类)和伪影,例如寄生离子和记忆效应,以及它们与真实气体杂质的区别。通过该分析,确定了质谱中所有类型离子的湿度依赖性。除了先前发现的无机伪影,许多新的有机离子被指定为仪器伪影,并且可以阐明新的同量异位干扰。从质量范围内发现的 1140 个峰中米 / 秒0-800,由于足够的强度只能分析 660,其中 463 对应于化合物。氮质子转移反应 (PTR) 光谱中的峰数同样以非金属含氧有机化合物 (23.5%) 和碳氢化合物 (24.1%) 为主。仅就气体杂质而言,碳氢化合物是主要的化合物类别 (50.2%)。在干燥和潮湿条件下对未过滤氮气的总离子信号贡献最大的是非金属含氧化合物。在干燥条件下,含氮化合物对氮 5.0 和 6.0 的贡献率次高,分别为 89% 和 96%,而在潮湿条件下,碳氢化合物以 69% 和 86% 对氮 5.0 和 6.0 的贡献率居第二位,分别。有了收集到的信息,
更新日期:2021-07-22
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