A Comprehensive Workflow for Target, Suspect, and Non-Target Screening by LC/MS Demonstrated for the Identification of CECs in Effluents from Waste Water Treatment Plants

被引：0

作者：

Glauner, Thomas ^{[1
]}

Wuest, Bernhard ^{[1
]}

Faye, Thierry ^{[2
]}

机构：

[1] Agilent Technol Sales & Serv GmbH, Hewlett Packard Str 8, D-76337 Waldbronn, Germany

[2] Agilent Technol France SAS, 3 Ave Canada,CS 90263, F-91978 Les Ulis, Essonne, France

来源：

ASSESSING TRANSFORMATION PRODUCTS OF CHEMICALS BY NON-TARGET AND SUSPECT SCREENING - STRATEGIES AND WORKFLOWS, VOL 2 | 2016年 / 1242卷

关键词：

MASS-SPECTROMETRY; TRANSFORMATION PRODUCTS; CONTAMINANTS; STRATEGIES;

D O I：

暂无

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

A comprehensive strategy for the target, suspect and non-target screening for chemicals of emerging concern (CEC) in environmental samples using Agilent Q-TOF instrumentation and software is described. The workflow is demonstrated for effluent samples from waste water treatment plants and important experimental parameters are explained along the way. With the highly sensitive Q-TOF instrumentation target screening for regulated compounds was possible in the WWTP effluents below the regulatory limits. Suspect screening using the All Ions MS/MS workflow based on the Agilent Water Screening Personal Compound Database and Library (PCDL) provided information on the more expected additional CECs with high confidence. The use of statistical software for data reduction in non-target screening is demonstrated. The goal is that time and money spent for the identification of CECs is limited to the most relevant and emerging contaminants. Finally, the identification of compounds based on library searching and in-silico fragment comparison is shown and the connection of MassHunter programs to open source databases and libraries is discussed.

引用

页码：113 / 130

页数：18

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