对有毒含氮消毒副产物(N-DBP)的担忧需要在源水中识别其前体。天然有机氨基化合物是N-DBPs的已知前体。三个Suwannee河(SR)标准参考材料(SRM),腐殖酸(HA),富里酸(FA),和天然有机物(NOM),通常用于研究DBP形成,但是SRSRM中氨基化合物的化学组成在很大程度上仍然未知。为了解决这个问题,我们结合了稳定的氢/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SRSRM中的这些化合物。该方法对反应性胺进行了分类,提供准确的质量和MS/MS光谱,并量化强度。我们确定了SRSRM中具有伯胺和/或仲胺的2707高质量特征,其中75%的m/z<300。在所有三个SRSRM中,检测到327个氨基特征,在SRNOM中发现了856、794和200个独特特征,SRHA,SRFA,分别。在北萨斯喀彻温河(NSR)样本中,共检测到6449个氨基特征,其中818个与SRSRM中的匹配,其中87%的河流不同。使用化学标准,我们确认了10个化合物,并初步鉴定了5个。这项研究强调了SRSRM和当地河水中反应性N前体的异同。加强对不同水源水中反应性N前体的地质差异的理解。
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 m/z < 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.