Division of Analytical and Environmental Toxicology, Department of Laboratory Medicine and Pathology, Faculty of Medicine and Dentistry, University of Alberta, Edmonton, Alberta T6G 2G3, Canada.
Department of Chemistry, Faculty of Science, University of British Columbia, Vancouver Campus, 2036 Main Mall, Vancouver, British Columbia V6T 1Z1, Canada.
Environ Sci Technol. 2024 Sep 3;58(35):15807-15815. doi: 10.1021/acs.est.4c05165. Epub 2024 Aug 20.
Concerns over toxic nitrogenous disinfection byproducts (N-DBPs) necessitate identifying their precursors in source water. Natural organic amino compounds are known precursors to N-DBPs. Three Suwannee River (SR) standard reference materials (SRMs), humic acids (HA), fulvic acids (FA), and natural organic matter (NOM), are commonly used to study DBP formation, but the chemical makeup of amino compounds in SRSRMs remains largely unknown. To address this, we combined stable hydrogen/deuterium isotope labeling, HDPairFinder bioinformatics, and nontargeted high-performance liquid chromatography-high-resolution mass spectrometry (HPLC-HRMS) to characterize these compounds in SRSRMs. This method classifies reactive amines, provides accurate masses and MS/MS spectra, and quantifies intensities. We identified 2707 high-quality features with primary and/or secondary amines in SRSRMs and 75% of them having an / < 300. Across all three SRSRMs, 327 amino features were detected, while 856, 794, and 200 unique features were found in SRNOM, SRHA, and SRFA, respectively. In North Saskatchewan River (NSR) samples, a total of 6449 amino features were detected, 818 of them matched those in SRSRMs, and 87% of them were different between the two rivers. Using chemical standards, we confirmed 10 compounds and tentatively identified 5 more. This study highlights similarities and differences in reactive N-precursors in SRSRMs and local river water, enhancing the understanding of geo-differences in reactive N-precursors in different source waters.
关注有毒氮消毒副产物 (N-DBPs) ,需要在水源中识别其前体。天然有机氨基酸化合物是 N-DBPs 的已知前体。三种苏万尼河 (SR) 标准参考物质 (SRMs) ,腐殖酸 (HA) ,富里酸 (FA) 和天然有机物 (NOM) ,常用于研究 DBP 的形成,但 SRMs 中氨基酸化合物的化学成分仍知之甚少。为了解决这个问题,我们结合稳定的氢/氘同位素标记、HDPairFinder 生物信息学和非靶向高效液相色谱-高分辨率质谱 (HPLC-HRMS) 来表征 SRSRMs 中的这些化合物。该方法对反应性胺进行分类,提供准确的质量和 MS/MS 谱,并定量强度。我们在 SRSRMs 中鉴定了 2707 种具有伯胺和/或仲胺的高质量特征,其中 75%的特征的 / < 300。在所有三种 SRSRMs 中,共检测到 327 种氨基酸特征,而在 SRNOM、SRHA 和 SRFA 中分别检测到 856、794 和 200 种独特特征。在北萨斯喀彻温河 (NSR) 样品中,共检测到 6449 种氨基酸特征,其中 818 种与 SRSRMs 中的特征相匹配,而这两种河流之间的特征有 87%不同。使用化学标准品,我们确认了 10 种化合物,并暂定鉴定了另外 5 种。本研究突出了 SRSRMs 和当地河水之间反应性 N 前体的相似性和差异性,增强了对不同水源中反应性 N 前体的地理差异的理解。