Publications of the Society of Water Chemistry & its committees

Application of Non-Target Screening using LC-ESI-HRMS in Water Analysis
Prepared by the Non-Target Screening Committee of the Society of Water Chemistry

This guide is intended to provide a framework for the application of non-target analysis. Compared with the first edition from 2019, this edition additionally covers validation and quality assurance in separate chapters. The chapter on statistical evaluation has also been considerably expanded.

Download the German-language version 2025
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Prepared by the Non-Target Screening Committee of the Society of Water Chemistry

The purpose of this document is to introduce the databases and software tools most commonly used in water analysis for elucidating structures based on prioritised features from non-target analyses (NTA), in order to facilitate getting started with their use. In addition to the NTS guide of the Society of Water Chemistry, detailed information on structure elucidation is compiled. The document has been written by users for users and, as a practical aid, also contains tips and tricks for using the databases and programmes featured. It points to available assistance, learning and explanatory videos, as well as related literature, while also not omitting existing limitations.

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The Research Strategy (Edition 1.0 2023) outlines the remit and multidisciplinary activities of the Research Main Committee. As a result of climate change, fundamentally new concepts must be developed that lead to rapid and sustainable solutions. Water and waterbody quality are valuable assets that have always been highly valued in research in Germany. Almost 1,000 scientists are organised in the Society of Water Chemistry to work together on solutions that lead to sustainable and future-oriented water management. The more than 100 female and male scientists on the Research Main Committee discuss current developments, bring them together and assess them with regard to their practical relevance. The focus here is on interdisciplinary approaches, as the subject of water affects many different disciplines.

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The volume presents a new concept for evaluating advanced wastewater treatment processes, both during a pilot phase to select process options and for assessing full-scale plants. The concept is based on an integrated approach that takes into account both emissions and impacts in water bodies. Two selected practical examples demonstrate that, when evaluating process options at a given site, it is useful to determine selected reductions or removals of substances, microorganisms and (eco)toxicological effects.

Issue 01.2023
€89.50 (incl. VAT)
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Application of Non-Target Screening using LC-ESI-HRMS in Water Analysis
Compiled by the Non-Target Screening Committee of the Society of Water Chemistry

This guideline is intended to provide an initial framework for the application of non-target analysis. Around 20 specialist colleagues from universities, research institutes, authorities and water suppliers contributed their practical experience in using high-resolution mass spectrometry in water analysis.

Download the German-language version
Download the English-language version