Publication details

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

Authors	SCHULZE Bastian VAN HERWERDEN Denice ALLAN Ian John BIJLSMA Lubertus ETXEBARRIA Nestor HANSEN Martin MEREL Sylvain VRANA Branislav AALIZADEH Reza BAJEMA Bernard DUBOCQ Florian COPPOLA Gianluca FILDIER Aurelie FIALOVÁ Pavla FROKJAER Emil GRABIC Roman GAGO-FERRERO Pablo GRAVERT Thorsten HOLLENDER Juliane HUYNH Nina JACOBS Griet JONKERS Tim KASERZON Sarit LAMOREE Marja LE ROUX Julien MAIRINGER Teresa MARGOUM Christelle MASCOLO Giuseppe MEBOLD Emmanuelle MENGER Frank MIEGE Cecile MEIJER Jeroen MOILLERON Regis MURGOLO Sapia PERUZZO Massimo PIJNAPPELS Martijn REID Malcolm ROSCIOLI Claudio SOULIER Coralie VALSECCHI Sara THOMAIDIS Nikolaos VULLIET Emmanuelle YOUNG Robert SAMANIPOUR Saer
Year of publication	2021
Type	Article in Periodical
Magazine / Source	Scientific Data
MU Faculty or unit	Faculty of Science
Citation
Web	https://www.nature.com/articles/s41597-021-01002-w
Doi	http://dx.doi.org/10.1038/s41597-021-01002-w
Keywords	COLLABORATIVE TRIAL; POLLUTANTS; IDENTIFICATION; CONTAMINANTS; ENVIRONMENT; MIXTURES; PLATFORM; SUSPECT
Attached files	1832179.pdf
Description	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.