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Exploration of a Causative Substance of Fishy-Smell in Raw Water for Taps by Combining a LC-HRMS, a GC-O-HRMS, and Multivariate Analyses

机译:通过结合LC-HRMS,GC-O-HRMS和多元分析探索自来水自来水中的鱼腥味的致病物质

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Off-flavor events in raw waters for taps have been reported from various regions of Japan. Especially, a causative substance of fishy smell has not yet been unrevealed to the best of our knowledge. Identification of the causative compound of fishy smell may make the outbreak mechanism uncovered, water quality measurements simpler and more accurate, and removal technology much better. Thus, in the present study, raw water samples and cultured media with Uroglena americana were analyzed by LC-HRMS, GC-O-HRMS, and multivariate analysis to explore a mass peak(s) of the causative compound. A combination of LC-HRMS and MVA resulted in the selection of one ion as a possible candidate and its formula was determined to be C_(13) H_(20) O_3 based on its accurate mass and isotopic pattern. The candidate underwent GC-O-HRMS analyses and milk-like smell was detected at around its retention time. Although the detected smell was different from fishy smell, it is expected that fishy-smell may be caused by multiple substances and the candidate is one of them. The first generation product ion spectra of the candidate suggested that it may contain a hydroxyl group, a methoxy-substituted cyclohexene, and an enol moiety.
机译:日本各个地区都报告了自来水的自来水异味事件。特别是,据我们所知,尚未发现具有鱼腥味的致病物质。识别出鱼腥味的病因可能会使疾病的爆发机制得以发现,水质测量更简单,更准确,去除技术也将更好。因此,在本研究中,通过LC-HRMS,GC-O-HRMS和多变量分析对美洲Uroglena americana的原水样品和培养基进行了分析,以探究该致病性化合物的质量峰。 LC-HRMS和MVA的组合导致选择一个离子作为可能的候选离子,根据其精确的质量和同位素模式,确定其分子式为C_(13)H_(20)O_3。对该候选人进行了GC-O-HRMS分析,并在其保留时间附近检测到了类似牛奶的气味。尽管检测到的气味与鱼腥味不同,但是可以预期,鱼腥味可能是由多种物质引起的,并且候选物质是其中之一。候选物的第一代产物离子光谱表明,它可能包含羟基,甲氧基取代的环己烯和烯醇部分。

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