In order to understand and minimize the formation of halogenated disinfection by-products (DBPs), it is important to investigate how dissolved organic matter (DOM) contributes to their generation. In the present study, we analysed the DOM profile of water samples from the Barcelona catchment area by high resolution mass spectrometry (HRMS) and we studied the changes after chlorination. Chlorination produced significant changes in the DOM, decreased the average m/z and Kendrick mass defect (KMD) of their spectra and decreased the number and abundance of lignin-like features. The Van Krevelen (VK) fingerprint exhibited several noticeable changes, including the appearance of highly oxidized peaks in the tannin-like region (average O/C, 0.78 ± 0.08), the appearance of features with low H/C and the disappearance of more than half of the lipids-like features. Up to 657 halogenated peaks were generated during sample chlorination, most of which in the condensed hydrocarbons-like and the lignin-like region of the VK diagram. Around 200 features were found to be strongly correlated (ρ ≥ 0.795) to the formation potential of trihalomethanes (THMs) and 5 were correlated with the formation potential of haloacetonitrile (HANs). They all were plotted in the lignin fraction of the VK diagram, but both groups of features exhibited different nitrogen content: those features related to HANs FP had at least one nitrogen atoms in their structures, whilst those related to THMs did not.

中文翻译：

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HRMS在地表水中的有机物特征：氯化对分子指纹的影响以及与DBP形成潜力的关系。

为了了解和最小化卤化消毒副产物（DBP）的形成，研究溶解性有机物（DOM）如何促进其生成非常重要。在本研究中，我们通过高分辨率质谱（HRMS）分析了巴塞罗那集水区的水样的DOM分布，并研究了氯化后的变化。氯化作用在DOM中产生了显着变化，降低了其光谱的平均m / z和Kendrick质量缺陷（KMD），并减少了木质素样特征的数量和数量。Van Krevelen（VK）指纹显示出一些明显的变化，包括在单宁样区域出现高氧化峰（平均O / C，0.78±0.08），具有低H / C的特征的外观以及一半以上类脂质特征的消失。在样品氯化过程中，最多产生657个卤化峰，其中大多数在VK图的缩合烃类和木质素类区域中出现。发现约有200个特征与三卤甲烷（THMs）的形成势强相关（ρ≥0.795），而5个特征与卤代乙腈（HANs）的形成势相关。它们都被绘制在VK图的木质素部分中，但是两组特征都表现出不同的氮含量：与HANs FP相关的那些特征在其结构中至少具有一个氮原子，而与THM相关的那些则没有。其中大多数位于VK图的缩合烃类和木质素类区域。发现约有200个特征与三卤代甲烷（THMs）的形成势强相关（ρ≥0.795），而5个特征与卤代乙腈（HANs）的形成势强相关。它们都被绘制在VK图的木质素部分中，但是两组特征都表现出不同的氮含量：与HANs FP相关的那些特征在其结构中至少具有一个氮原子，而与THM相关的那些则没有。其中大多数位于VK图的缩合烃类和木质素类区域。发现约有200个特征与三卤代甲烷（THMs）的形成势强相关（ρ≥0.795），而5个特征与卤代乙腈（HANs）的形成势强相关。它们都被绘制在VK图的木质素部分中，但是两组特征都表现出不同的氮含量：与HANs FP相关的那些特征在其结构中至少具有一个氮原子，而与THM相关的那些则没有。