Abstract Theisen sludge is a complexly contaminated scrubber dust, which arised during the production of copper stone. Besides high contents of heavy metals, it also contains approximately 10% of a tar like organic fraction. Inorganic and organic components both represent an environmental risk and the assessment of potential remediation activities requires a detailed analysis of the contaminants. In this study, the organic part of the scrubber dust was analyzed by highly resolving gas chromatographic and mass spectrometric methods. Lower molecular weight compounds were analyzed by comprehensive gas chromatography (GC × GC-MS). A complex mixture of aliphatic and aromatic hydrocarbons was observed, which was predominantly composed of aromatic hydrocarbons with one to 4 rings with different number and length of alkylsubstituents. The most abundant heteroatomic compounds observed are benzo- and dibenzothiophenes and their alkylated homologues, but also phenols, carbazoles and acridines could be observed. Higher molecular weight compounds were analyzed by fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). Two different ionization methods, electrospray ionization (ESI) and graphite assisted laser desorption ionization (LDI), were used in positive and negative ionization mode. Compounds with masses up to 1450 u are observed. The results were evaluated based on the number of formulas in the molecular formula classes and their distribution in double bond equivalents versus carbon number plots (DBE-nC plots). The results from both ionization polarities show significant differences regarding the quality of observed molecular formulas and both ionization methods.

中文翻译：

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GCxGC-MS 和 FT-ICR-MS 筛选复杂污染的洗涤器粉尘中的有机化合物

摘要 泰森污泥是铜石生产过程中产生的一种污染复杂的洗涤器粉尘。除了高含量的重金属外，它还含有约 10% 的焦油样有机成分。无机和有机成分都代表环境风险，潜在修复活动的评估需要对污染物进行详细分析。在本研究中，通过高分辨气相色谱和质谱法分析了洗涤器粉尘的有机部分。通过综合气相色谱 (GC × GC-MS) 分析较低分子量的化合物。观察到脂肪烃和芳香烃的复杂混合物，其主要由具有1至4个环且烷基取代基的数量和长度不同的芳香烃组成。观察到的最丰富的杂原子化合物是苯并二苯并噻吩及其烷基化同系物，但也可以观察到苯酚、咔唑和吖啶。通过傅立叶变换离子回旋共振质谱（FT-ICR-MS）分析更高分子量的化合物。两种不同的电离方法，电喷雾电离 (ESI) 和石墨辅助激光解吸电离 (LDI)，用于正负电离模式。观察到质量高达 1450 u 的化合物。根据分子式类别中的式数及其在双键当量与碳数图（DBE-nC 图）中的分布来评估结果。