A direct injection, multi residue analytical method separated in two chromatographic runs was developed utilizing scheduled analysis to simultaneously quantify 154 compounds, 84 precursors and 70 transformation products (TPs)/metabolites. Improvements in the chromatographic data quality, sensitivity and reproducibility were achieved by scheduling the analysis of each analyte into pre-determined retention time windows. This study shows the influence of the scan time on the dwell time and the number of data points per peak as well as the effect on the precision of analysis. Lowering the scan time decreased dwell time to a minimal value, however, this had no negative effects on the precision. Increasing the number of data points per peak by decreasing the scan time led to more accurate peak shapes. A final set of parameters was chosen to obtain a minimum of 10 data points per peak to guarantee accurate peak shapes and thus reproducibility of analysis. A validation of the method was performed for different water matrices yielding very good linearity for all substances, with limits of quantification mainly in the lower to mid ng/L-range and recoveries mainly between 70 and 125% for surface water, bank filtrate as well as influents and effluents of wastewater treatment plants. The analysis of environmental samples and wastewater revealed the occurrence of selected precursors and TPs in all analyzed matrices: 95% of the compounds in the target list could be quantified in at least one sample. The relevance of TPs and metabolites such as valsartan acid and clopidogrel acid was also confirmed by their detection in all aqueous matrices. Wastewater indicators such as acesulfame and diclofenac were detected at elevated concentrations as well as substances such as oxipurinol which so far were not in the focus of monitoring programs. The developed method can be used for rapid analysis of various water matrices without any sample enrichment and can aid the assessment of water quality and water treatment processes.

开发了一种直接进样的多残留分析方法，该方法分为两个色谱运行，利用计划的分析方法同时对154种化合物，84种前体和70种转化产物（TPs）/代谢产物进行了定量。通过将每种分析物的分析安排在预定的保留时间窗口中，可以提高色谱数据的质量，灵敏度和重现性。这项研究显示了扫描时间对停留时间和每个峰的数据点数量的影响，以及对分析精度的影响。降低扫描时间可将保压时间降至最小值，但是，这对精度没有负面影响。通过减少扫描时间来增加每个峰的数据点数量会导致更准确的峰形。选择最后一组参数以获得每个峰最少10个数据点，以确保准确的峰形状并因此保证分析的可重复性。该方法针对不同的水基质进行了验证，所有物质均具有很好的线性，其定量限主要在中/低ng / L范围内，地表水和银行滤液的回收率主要在70％至125％之间作为废水处理厂的进水和出水。对环境样品和废水的分析表明，在所有分析的基质中均出现了选定的前体和TP：目标列表中95％的化合物可在至少一个样品中进行定量。TP和代谢物（如缬沙坦酸和氯吡格雷酸）的相关性也通过在所有水性基质中的检测得到证实。废水中的指示剂（如乙酰磺胺酸和双氯芬酸）的浓度升高了，而奥西嘌呤等物质的浓度至今仍未成为监测计划的重点。所开发的方法可用于快速分析各种水基质，而无需任何样品富集，并可帮助评估水质和水处理过程。