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

Bastian Schulze; Denice van Herwerden; Ian Allan; Lubertus Bijlsma; Nestor Etxebarria; Martin Hansen; Sylvain Merel; Branislav Vrana; Reza Aalizadeh; Bernard Bajema; Florian Dubocq; Gianluca Coppola; Aurélie Fildier; Pavla Fialová; Emil Frøkjær; Roman Grabic; Pablo Gago-Ferrero; Thorsten Gravert; Juliane Hollender; Nina Huynh; Griet Jacobs; Tim Jonkers; Sarit Kaserzon; Marja Lamoree; Julien Le Roux; Teresa Mairinger; Christelle Margoum; Giuseppe Mascolo; Emmanuelle Mebold; Frank Menger; Cecile Miege; Jeroen Meijer; R. Moilleron; Sapia Murgolo; Massimo Peruzzo; Martijn Pijnappels; Malcolm Reid; Claudio Roscioli; Coralie Soulier; Sara Valsecchi; Nikolaos Thomaidis; Emmanuelle Vulliet; Robert Young; Saer Samanipour

doi:10.1038/s41597-021-01002-w

Article dans une revue

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

Bastian Schulze ¹ Denice van Herwerden ² Ian Allan ³ Lubertus Bijlsma ⁴ Nestor Etxebarria ⁵ Martin Hansen ⁶ Sylvain Merel ⁷ Branislav Vrana ⁸ Reza Aalizadeh ⁹ Bernard Bajema ¹⁰ Florian Dubocq ¹¹ Gianluca Coppola ¹² Aurélie Fildier ¹³ Pavla Fialová ⁸ Emil Frøkjær ⁶ Roman Grabic ¹⁴ Pablo Gago-Ferrero ¹⁵ Thorsten Gravert ⁶ Juliane Hollender ¹⁶ Nina Huynh ¹⁷ Griet Jacobs ¹⁸ Tim Jonkers ¹⁹ Sarit Kaserzon ¹ Marja Lamoree ¹⁹ Julien Le Roux ²⁰ Teresa Mairinger ^{16, 21} Christelle Margoum ⁷ Giuseppe Mascolo ²² Emmanuelle Mebold ^{23, 17} Frank Menger ²⁴ Cecile Miege ⁷ Jeroen Meijer ¹⁹ R. Moilleron ²⁰ Sapia Murgolo ²² Massimo Peruzzo ¹³ Martijn Pijnappels ²⁵ Malcolm Reid Claudio Roscioli ²⁶ Coralie Soulier ²⁷ Sara Valsecchi ²⁶ Nikolaos Thomaidis ⁸ Emmanuelle Vulliet ¹³ Robert Young ²⁸ Saer Samanipour ^{2, 3, *}

* Auteur correspondant

1 University of Queensland [Brisbane]

2 UvA - University of Amsterdam [Amsterdam]

3 NIVA - Norwegian Institute for Water Research

4 Universitat Jaume I

5 UPV/EHU - University of the Basque Country [Bizkaia]

6 Aarhus University [Aarhus]

7 Riverly - Riverly

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 TRACES - Technologie et Recherche en Analyse Chimique pour l'Environnement et la Santé

ISA - Institut des Sciences Analytiques

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 - University of Natural Resources and Life Sciences

22 Istituto di Ricerca Sulle Acque

23 EFLUVE (UMS_3563) - Enveloppes fluides : de la ville à l'exobiologie

24 SLU - Swedish University of Agricultural Sciences

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]

Abstract : 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.

Type de document :

Article dans une revue

Domaine :

Sciences de l'environnement / Ingénierie de l'environnement

Chimie / Chimie analytique

Liste complète des métadonnées

https://hal-enpc.archives-ouvertes.fr/hal-03325586
Contributeur : Julien Le Roux Connectez-vous pour contacter le contributeur
Soumis le : mercredi 25 août 2021 - 09:37:10
Dernière modification le : jeudi 6 janvier 2022 - 11:18:11

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