Monitoring of chemical water quality is extremely challenging due to the large variety of compounds and the presence of biologically active compounds with unknown chemical identity. Previously, we developed a high resolution Effect-Directed Analysis (EDA) platform that combines liquid chromatography with high resolution mass spectrometry and parallel bioassay detection. In this study, the platform is combined with CALUX bioassays for (anti)androgenic, estrogenic and glucocorticoid activities, and the performance of the platform is evaluated. It appeared to render very repeatable results, with high recoveries of spiked compounds and high consistency between the mass spectrometric and bioassay results. Application of the platform to wastewater treatment plant effluent and surface water samples led to the identification of several compounds contributing to the measured activities. Eventually, a workflow is proposed for the application of the platform in a routine monitoring context. The workflow divides the platform into four phases, of which one to all can be performed depending on the research question and the results obtained. This allows one to make a balance between the effort put into the platform and the certainty and depth by which active compounds will be identified. The EDA platform is a valuable tool to identify unknown bioactive compounds, both in an academic setting as in the context of legislative, governmental or routine monitoring.

由于化合物种类繁多以及存在化学特性未知的生物活性化合物，因此监测化学水质量极具挑战性。以前，我们开发了高分辨率的效果导向分析（EDA）平台，该平台将液相色谱与高分辨率质谱法和并行生物测定检测相结合。在这项研究中，该平台与CALUX生物测定相结合，用于（抗）雄激素，雌激素和糖皮质激素活性，并评估了平台的性能。它看起来可提供非常可重复的结果，其中加标化合物的回收率高，质谱和生物测定结果之间的一致性高。该平台在废水处理厂废水和地表水样品中的应用导致鉴定了有助于测量活动的几种化合物。最终，提出了一个工作流，用于在常规监视环境中平台的应用。工作流将平台分为四个阶段，其中一个阶段可以根据研究问题和所获得的结果执行。这使人们可以在投入平台的努力与确定活性化合物的确定性和深度之间取得平衡。EDA平台是在立法，政府或常规监测等学术环境中识别未知生物活性化合物的宝贵工具。为在常规监视环境中平台的应用提出了工作流。工作流将平台分为四个阶段，其中一个阶段可以根据研究问题和所获得的结果执行。这使人们可以在投入平台的努力与确定活性化合物的确定性和深度之间取得平衡。EDA平台是在立法，政府或常规监测等学术环境中识别未知生物活性化合物的宝贵工具。为在常规监视环境中平台的应用提出了工作流。工作流程将平台分为四个阶段，其中一个阶段可以根据研究问题和所获得的结果执行。这使人们可以在投入平台的努力与确定活性化合物的确定性和深度之间取得平衡。EDA平台是在立法，政府或常规监测等学术环境中识别未知生物活性化合物的宝贵工具。这使人们可以在投入平台的努力与确定活性化合物的确定性和深度之间取得平衡。EDA平台是在立法，政府或常规监测等学术环境中识别未知生物活性化合物的宝贵工具。这使人们可以在投入平台的努力与确定活性化合物的确定性和深度之间取得平衡。EDA平台是在立法，政府或常规监测等学术环境中识别未知生物活性化合物的宝贵工具。