Aquatic Contaminants Research Division, Water Science and Technology Directorate, Environment Canada, 11 Innovation Boulevard, Saskatoon, Saskatchewan, S7N 3H5, Canada.
Department of Chemistry, University of Warwick, Coventry, CV4 7AL, United Kingdom.
Mass Spectrom Rev. 2016 Mar-Apr;35(2):311-28. doi: 10.1002/mas.21472. Epub 2015 May 12.
There has been a recent surge in the development of mass spectrometric methods for detailed characterization of naphthenic acid fraction compounds (all C(c)H(h)N(n)O(o)S(s), species, including heteroatomic and aromatic components in the acid-extractable fraction) in environmental samples. This surge is driven by the increased activity in oil sands environmental monitoring programs in Canada, the exponential increase in research studies on the isolation and toxicity identification of components in oil sands process water (OSPW), and the analytical requirements for development of technologies for treatment of OSPW. There has been additional impetus due to the parallel studies to control corrosion from naphthenic acids during the mining and refining of heavy bitumen and crude oils. As a result, a range of new mass spectrometry tools have been introduced since our last major review of this topic in 2009. Of particular significance are the developments of combined mass spectrometric methods that incorporate technologies such as gas chromatography, liquid chromatography, and ion mobility. There has been additional progress with respect to improved visualization methods for petroleomics and oil sands environmental forensics. For comprehensive coverage and more reliable characterization of samples, an approach based on multiple-methods that employ two or more ionization modes is recommended. On-line or off-line fractionation of isolated extracts, with or without derivatization, might also be used prior to mass spectrometric analyses. Individual ionization methods have their associated strengths and weaknesses, including biases, and thus dependence upon a single ionization method is potentially misleading. There is also a growing trend to not rely solely on low-resolution mass spectrometric methods (<20,000 resolving power at m/z 200) for characterization of complex samples. Future research is anticipated to focus upon (i) structural elucidation of components to determine the correlation with toxicity or corrosion, (ii) verification of characterization studies based on authentic reference standards and reference materials, and (iii) integrated approaches based on multiple-methods and ionization methods for more-reliable oil sands environmental forensics.
近年来，在环境样品中对环烷酸馏分化合物（所有 C(c)H(h)N(n)O(o)S(s)，包括酸可萃取部分中的杂原子和芳香族成分的物种）进行详细特征描述的质谱方法发展迅速。这种增长的驱动力来自于加拿大油砂环境监测计划的增加活动、油砂工艺水中成分的分离和毒性鉴定研究的指数增长、以及开发油砂工艺水（OSPW）处理技术的分析要求。由于在重质沥青和原油的开采和精炼过程中控制环烷酸腐蚀的平行研究，也推动了这种发展。因此，自 2009 年我们对上一个主题进行的重大综述以来，已经引入了一系列新的质谱工具。特别重要的是结合了气相色谱、液相色谱和离子淌度等技术的组合质谱方法的发展。在石油组学和油砂环境取证方面，改进可视化方法也取得了额外的进展。为了更全面、更可靠地分析样品，建议采用基于两种或多种电离模式的多方法方法。在进行质谱分析之前，可能需要使用在线或离线分离、衍生化或不衍生化的方法对分离提取物进行分离。单独的电离方法有其自身的优缺点，包括偏差，因此仅依赖于单一的电离方法可能会产生误导。越来越倾向于不依赖于低分辨率质谱方法（在 m/z 200 处分辨率低于 20,000）来对复杂样品进行特征描述。未来的研究预计将集中于：（i）确定与毒性或腐蚀相关的成分结构解析；（ii）基于真实标准品和参考物质对特征描述研究进行验证；（iii）基于多方法和电离方法的综合方法，以进行更可靠的油砂环境取证。
