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Article Dans Une Revue (Data Paper) Scientific Data Année : 2021

Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis

1 UQ [All campuses : Brisbane, Dutton Park Gatton, Herston, St Lucia and other locations] - The University of Queensland
2 UvA - University of Amsterdam [Amsterdam] = Universiteit van Amsterdam
3 NIVA - Norwegian Institute for Water Research
4 Universitat Jaume I = Jaume I University
5 UPV / EHU - University of the Basque Country = Euskal Herriko Unibertsitatea
6 Aarhus University [Aarhus]
7 RiverLy - RiverLy - Fonctionnement des hydrosystèmes
8 RECETOX / MUNI - Research Centre for Toxic Compounds in the Environment [Brno]
9 NKUA - National and Kapodistrian University of Athens
10 Vitens NV
11 Örebro University
12 Eurolab Srl
13 ISA-TRACES - Technologie et Recherche en Analyse Chimique pour l'Environnement et la Santé
14 UNIVERSITY OF SOUTH BOHEMIA CESKE BUDEJOVICE CZE
15 ICRA - Instituto Catalán de Investigación del Agua - ICRA (SPAIN)
16 EAWAG - Swiss Federal Insitute of Aquatic Science and Technology [Dübendorf]
17 ENPC - École des Ponts ParisTech
18 VITO - Flemish Institute for Technological Research
19 VU - Vrije Universiteit Amsterdam [Amsterdam]
20 LEESU - Laboratoire Eau Environnement et Systèmes Urbains
21 BOKU - Universität für Bodenkultur Wien = University of Natural Resources and Life [Vienne, Autriche]
22 Istituto di Ricerca Sulle Acque
23 EFLUVE - Enveloppes fluides : de la ville à l'exobiologie
24 SLU - Swedish University of Agricultural Sciences = Sveriges lantbruksuniversitet
25 Rijkswaterstaat [Delft]
26 INSTITUTO DI RICERCA SULLE ACQUE ITA
27 BRGM - Bureau de Recherches Géologiques et Minières (BRGM)
28 CSU - Colorado State University [Fort Collins]
Sylvain Merel
Bernard Bajema
  • Fonction : Auteur
Gianluca Coppola
  • Fonction : Auteur
Nina Huynh
Cecile Miege
Malcolm Reid
  • Fonction : Auteur
Sara Valsecchi

Résumé

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.
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Dates et versions

hal-03325586 , version 1 (25-08-2021)

Identifiants

Citer

Bastian Schulze, Denice van Herwerden, Ian Allan, Lubertus Bijlsma, Nestor Etxebarria, et al.. Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis. Scientific Data , 2021, 8 (1), pp.223. ⟨10.1038/s41597-021-01002-w⟩. ⟨hal-03325586⟩
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