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Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis
Queensland Alliance for Environmental Health Sciences (QAEHS), The University of Queensland, Woolloongabba, Australia.
Van 't Hoff Institute for Molecular Sciences (HIMS), University of Amsterdam, Amsterdam, The Netherlands.
Norwegian Institute for Water Research (NIVA), Oslo, Norway.
Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Avda. Vincent Sos Baynat, Castelló de la Plana, Castellón, Spain.
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2021 (English)In: Scientific Data, E-ISSN 2052-4463, Vol. 8, no 1, article id 223Article in journal (Refereed) Published
Abstract [en]

Non-target analysis (NTA) employing high-resolution mass spectrometry is a commonly applied approach for the detection of novel chemicals of emerging concern in complex environmental samples. NTA typically results in large and information-rich datasets that require computer aided (ideally automated) strategies for their processing and interpretation. Such strategies do however raise the challenge of reproducibility between and within different processing workflows. An effective strategy to mitigate such problems is the implementation of inter-laboratory studies (ILS) with the aim to evaluate different workflows and agree on harmonized/standardized quality control procedures. Here we present the data generated during such an ILS. This study was organized through the Norman Network and included 21 participants from 11 countries. A set of samples based on the passive sampling of drinking water pre and post treatment was shipped to all the participating laboratories for analysis, using one pre-defined method and one locally (i.e. in-house) developed method. The data generated represents a valuable resource (i.e. benchmark) for future developments of algorithms and workflows for NTA experiments.

Place, publisher, year, edition, pages
Nature Publishing Group, 2021. Vol. 8, no 1, article id 223
National Category
Environmental Sciences Analytical Chemistry
Identifiers
URN: urn:nbn:se:oru:diva-93928DOI: 10.1038/s41597-021-01002-wISI: 000688000300001PubMedID: 34429429Scopus ID: 2-s2.0-85113330459OAI: oai:DiVA.org:oru-93928DiVA, id: diva2:1587963
Note

Funding agencies:

NORMAN network

Danish Environmental Protection Agency MST-667-00207

Aarhus University Research Foundation AUFF-T-2017-FLS-7-4

Available from: 2021-08-26 Created: 2021-08-26 Last updated: 2021-09-07Bibliographically approved

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Dubocq, Florian

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