Zwiener Christian, Frimmel Fritz H
Engler-Bunte-Institut, Water Chemistry, Universität Karlsruhe (TH), Engler-Bunte-Ring 1, 76131 Karlsruhe, Germany.
Anal Bioanal Chem. 2004 Feb;378(4):862-74. doi: 10.1007/s00216-003-2412-1. Epub 2003 Dec 13.
Environmental contaminants of recent concern are pharmaceuticals, estrogens and other endocrine disrupting chemicals (EDC) such as degradation products of surfactants, algal and cyanobacterial toxins, disinfection by-products (DBPs) and metalloids. In addition, pesticides (especially their transformation products), microorganisms, and humic substances (HS), in their function as vehicles for contaminants and as precursors for by-products in water treatment, traditionally play an important role. The present status of the application of LC-MS techniques for these water constituents are discussed and examples of application are given. Solid-phase extraction with various non-selective materials in combination with liquid chromatography (LC) on reversed-phase columns have been the most widely used methods for sample preconcentration and separation for different compound classes like pesticides, pharmaceuticals or estrogens. Electrospray ionization (ESI) and atmospheric pressure ionization (APCI) are the most frequently used ionization techniques for polar and ionic compounds, as well as for less polar non-ionic ones. The facilities of LC-MS have been successfully demonstrated for different compound classes. Polar compounds from pharmaceuticals used as betablockers, iodinated X-ray contrast media, or estrogens have been determined without derivatization down to ultratrace concentrations. LC-MS can be viewed as a prerequisite for the determination of algal and cyanobacterial toxins and the homologues and oligomers of alkylphenol ethoxylates and their metabolites. Tandem mass spectrometric techniques and the use of diagnostic ions reveal their usefulness for compound-class specific screening and unknown identification, and are also valid for the analysis of pesticides and especially for their transformation products. Structural information has been gained by the application of LC-MS methods to organometallic species. New insights into the structural variety of humic substances have been made possible by FT-ICR-MS due to its ultrahigh mass resolution. Finally, exciting possibilities for rapid detection and identification of microorganisms have been made possible by MALDI and LC-MS methods.
近期备受关注的环境污染物包括药物、雌激素和其他内分泌干扰化学物质（EDC），如表面活性剂的降解产物、藻类和蓝藻毒素、消毒副产物（DBP）以及类金属。此外，农药（尤其是其转化产物）、微生物和腐殖质（HS），在作为污染物载体以及水处理中副产物前体的功能方面，传统上发挥着重要作用。本文讨论了液相色谱 - 质谱（LC - MS）技术在这些水中成分分析中的应用现状，并给出了应用实例。使用各种非选择性材料进行固相萃取并结合反相柱液相色谱（LC），一直是对农药、药物或雌激素等不同化合物类别进行样品预浓缩和分离最广泛使用的方法。电喷雾电离（ESI）和大气压电离（APCI）是用于极性和离子化合物以及极性较小的非离子化合物最常用的电离技术。LC - MS设备已成功应用于不同的化合物类别。用作β受体阻滞剂的药物、碘化X射线造影剂或雌激素中的极性化合物，无需衍生化即可测定至超痕量浓度。LC - MS可视为测定藻类和蓝藻毒素以及烷基酚聚氧乙烯醚及其代谢物的同系物和低聚物的先决条件。串联质谱技术以及诊断离子的使用显示了它们在化合物类别特异性筛选和未知物鉴定方面的有用性，对农药分析尤其是其转化产物的分析也有效。通过将LC - MS方法应用于有机金属物种获得了结构信息。由于其超高的质量分辨率，傅里叶变换离子回旋共振质谱（FT - ICR - MS）使人们对腐殖质的结构多样性有了新的认识。最后，基质辅助激光解吸电离（MALDI）和LC - MS方法为微生物的快速检测和鉴定带来了令人兴奋的可能性。
