| Text | 465865 2021 10.1038/s41597 021 01002 w Scopus 2 s2.0 85113330459 Non target screening Suspect Screening passive sampling drinking water Inter laboratory mass spectrometry dataset based on passive sampling of drinking water for non target analysis Schulze B.; van Herwerden D.; Allan I.; Bijlsma L.; Etxebarria N.; Hansen M.; Merel S.; Vrana B.; Aalizadeh R.; Bajema B.; Dubocq F.; Coppola G.; Fildier A.; Fialova P.; Frokjaer E.; Grabic R.; Gago Ferrero P.; Gravert T.; Hollender J.; Huynh N.; Jacobs G.; Jonkers T.; Kaserzon S.; Lamoree M.; Le Roux J.; Mairinger T.; Margoum C.; Mascolo G.; Mebold E.; Menger F.; Miege C.; Meijer J.; Moilleron R.; Murgolo S.; Peruzzo M.; Pijnappels M.; Reid M.; Roscioli C.; Soulier C.; Valsecchi S.; Thomaidis N.; Vulliet E.; Young R.; Samanipour S. Queensland Alliance for Environmental Health Sciences QAEHS , The University of Queensland, 202. Cornwall Street, Woolloongabba, QLD 4102, Queensland Alliance for Environmental Health Sciences QAEHS , The University of Queensland, 202. Cornwall Street, QLD 4102, Woolloongabba, Australia, , , Australia; Queensland Alliance for Environmental Health Sciences QAEHS , The University of Queensland, 202. Cornwall Street, Woolloongabba, QLD 4102, Queensland Alliance for Environmental Health Sciences QAEHS , The University of Queensland, 202. Cornwall Street, QLD 4102, Woolloongabba, Australia, , , Australia; Van t Hoff Institute for Molecular Sciences HIMS , University of Amsterdam, Science Park 904, Amsterdam, 1098 XH, Van t Hoff Institute for Molecular Sciences HIMS , University of Amsterdam, Science Park 904, 1098 XH, Amsterdam, The Netherlands, , , Netherlands; Van t Hoff Institute for Molecular Sciences HIMS , University of Amsterdam, Science Park 904, Amsterdam, 1098 XH, Van t Hoff Institute for Molecular Sciences HIMS , University of Amsterdam, Science Park 904, 1098 XH, Amsterdam, The Netherlands, , , Netherlands; Norwegian Institute for Water Research NIVA , Gaustadalleen 21, Oslo, 0349, Norwegian Institute for Water Research NIVA , Gaustadalleen 21, 0349, Oslo, Norway, , Norway; Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Avda. Vincent Sos Baynat, s/n, Castello de la Plana, Castellon, 12071, Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Avda. Vincent Sos Baynat, s/n, 12071, Castello de la Plana, Castellon, Spain, , Spain; Plentzia Marine Station, Department of Analytical Chemistry, University of the Basque Country, Areatza Pasealekua, Plentzia, Basque Country, 48620, Plentzia Marine Station, Department of Analytical Chemistry, University of the Basque Country, Areatza Pasealekua, 48620, Plentzia, Basque Country, Spain, , Spain; Aarhus University, Department of Environmental Science, Environmental Metabolomics Lab, Frederiksborgvej 399, Roskilde, 4000, Aarhus University, Department of Environmental Science, Environmental Metabolomics Lab, Frederiksborgvej 399, 4000, Roskilde, Denmark, , Denmark; INRAE, UR RiverLy, Villeurbanne, F 69625, INRAE, UR RiverLy, F 69625, Villeurbanne, France, , , France; INRAE, UR RiverLy, Villeurbanne, F 69625, INRAE, UR RiverLy, F 69625, Villeurbanne, France, , , France; Masaryk University, Faculty of Science, RECETOX, Kamenice 753/5, Brno, 625 00, Masaryk University, Faculty of Science, RECETOX, Kamenice 753/5, 625 00, Brno, Czech Republic, , Czech Republic; National and Kapodistrian University of Athens, Athens, National and Kapodistrian University of Athens, Athens, Greece, , Greece; Vitens N.V., Oude Veerweg 1, Zwolle, 8001 BE, Vitens N.V., Oude Veerweg 1, Zwolle, 8001 BE, The Netherlands, , Netherlands; Man Technology Environment Research Centre, School of Science and Technology, Örebro University, Fakultetsgatan 1, Örebro, 701 82, Man Technology Environment Research Centre, School of Science and Technology, Örebro University, Fakultetsgatan 1, 701 82, Örebro, Sweden, , Sweden; Eurolab Srl, Via Monsignore Rodolfi 22, Cassola, VI, IT 36022, Eurolab Srl, Via Monsignore Rodolfi 22, IT 36022, Cassola, VI, Italy, , Italy; Univ Lyon, CNRS, Universite Claude Bernard Lyon 1, Institut des Sciences Analytiques, UMR 5280, 5 rue de la Doua, Villeurbanne, F 69100, Univ Lyon, CNRS, Universite Claude Bernard Lyon 1, Institut des Sciences Analytiques, UMR 5280, 5 rue de la Doua, F 69100, Villeurbanne, France, , , , , France; Univ Lyon, CNRS, Universite Claude Bernard Lyon 1, Institut des Sciences Analytiques, UMR 5280, 5 rue de la Doua, Villeurbanne, F 69100, Univ Lyon, CNRS, Universite Claude Bernard Lyon 1, Institut des Sciences Analytiques, UMR 5280, 5 rue de la Doua, F 69100, Villeurbanne, France, , , , , France; Univ Lyon, CNRS, Universite Claude Bernard Lyon 1, Institut des Sciences Analytiques, UMR 5280, 5 rue de la Doua, Villeurbanne, F 69100, Univ Lyon, CNRS, Universite Claude Bernard Lyon 1, Institut des Sciences Analytiques, UMR 5280, 5 rue de la Doua, F 69100, Villeurbanne, France, , , , , France; Univ Lyon, CNRS, Universite Claude Bernard Lyon 1, Institut des Sciences Analytiques, UMR 5280, 5 rue de la Doua, Villeurbanne, F 69100, Univ Lyon, CNRS, Universite Claude Bernard Lyon 1, Institut des Sciences Analytiques, UMR 5280, 5 rue de la Doua, F 69100, Villeurbanne, France, , , , , France; University of South Bohemia in eske Bud jovice, Faculty of Fisheries and Protection of Waters, South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses, Zati i 728/II, Vod any, CZ 389 25, University of South Bohemia in eske Bud jovice, Faculty of Fisheries and Protection of Waters, South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses, Zati i 728/II, CZ 389 25, Vod any, Czech Republic, , Czech Republic; Institut Catala de Recerca de l Aigua ICRA Catalan Institute for Water Research, Edifici H2O Parc Cientific i Tecnologic Universitat de Girona Carrer Emili Grahit, Girona, 101 E 17003, Institut Catala de Recerca de l Aigua ICRA Catalan Institute for Water Research, Edifici H2O Parc Cientific i Tecnologic Universitat de Girona Carrer Emili Grahit, 101 E 17003, Girona, Spain, , , Spain; Institut Catala de Recerca de l Aigua ICRA Catalan Institute for Water Research, Edifici H2O Parc Cientific i Tecnologic Universitat de Girona Carrer Emili Grahit, Girona, 101 E 17003, Institut Catala de Recerca de l Aigua ICRA Catalan Institute for Water Research, Edifici H2O Parc Cientific i Tecnologic Universitat de Girona Carrer Emili Grahit, 101 E 17003, Girona, Spain, , , Spain; Eawag, Swiss Federal Institute of Aquatic Science and Technology, Duebendorf, 8600, Eawag, Swiss Federal Institute of Aquatic Science and Technology, 8600, Duebendorf, Switzerland, , Switzerland; Univ Paris Est Creteil, Ecole des Ponts, LEESU, Creteil, F 94010, Univ Paris Est Creteil, Ecole des Ponts, LEESU, F 94010, Creteil, France, , , France; Univ Paris Est Creteil, Ecole des Ponts, LEESU, Creteil, F 94010, Univ Paris Est Creteil, Ecole des Ponts, LEESU, F 94010, Creteil, France, , , France; Flemish Institute for Technological Research VITO , Unit Separation and Conversion Technology, Boeretang 200, Mol, 2400, Flemish Institute for Technological Research VITO , Unit Separation and Conversion Technology, Boeretang 200, 2400, Mol, Belgium, , Belgium; Department of Environment Health, Faculty of Science, Amsterdam Institute of Molecular and Life Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1085, Amsterdam, HV, 1081, Department of Environment Health, Faculty of Science, Amsterdam Institute of Molecular and Life Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1085, 1081, Amsterdam, HV, The Netherlands, , , Netherlands; Department of Environment Health, Faculty of Science, Amsterdam Institute of Molecular and Life Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1085, Amsterdam, HV, 1081, Department of Environment Health, Faculty of Science, Amsterdam Institute of Molecular and Life Sciences, Vrije Universiteit Amsterdam, De Boelelaan 1085, 1081, Amsterdam, HV, The Netherlands, , , Netherlands; Department of Chemistry, University of Natural Resources and Life Sciences BOKU Vienna, Muthgasse 18, Vienna, 1190, Department of Chemistry, University of Natural Resources and Life Sciences BOKU Vienna, Muthgasse 18, 1190, Vienna, Austria, , Austria; Consiglio Nazionale delle Ricerche, Istituto di Ricerca Sulle Acque, Via De Blasio 5, Bari, 70132, Consiglio Nazionale delle Ricerche, Istituto di Ricerca Sulle Acque, Via De Blasio 5, 70132, Bari, Italy, , , Italy; Consiglio Nazionale delle Ricerche, Istituto di Ricerca Sulle Acque, Via De Blasio 5, Bari, 70132, Consiglio Nazionale delle Ricerche, Istituto di Ricerca Sulle Acque, Via De Blasio 5, 70132, Bari, Italy, , , Italy; OSU EFLUVE, Univ Paris Est Creteil, CNRS, Creteil, F 94010, OSU EFLUVE, Univ Paris Est Creteil, CNRS, F 94010, Creteil, France, , , France; OSU EFLUVE, Univ Paris Est Creteil, CNRS, Creteil, F 94010, OSU EFLUVE, Univ Paris Est Creteil, CNRS, F 94010, Creteil, France, , , France; Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences SLU , SE 75007, Uppsala, Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences SLU , SE 75007, Uppsala, Sweden, , Sweden; Ministry of Infrastructure and Water Management, Rijkswaterstaat, Zuiderwagenplein 2, Lelystad, AD, 8224, Ministry of Infrastructure and Water Management, Rijkswaterstaat, Zuiderwagenplein 2, 8224, Lelystad, AD, Netherlands, , Netherlands; Instituto di Ricerca Sulle Acque, Consiglio Nazionale delle Ricerche, Via Mulino 19, Brugherio, MB, IT 20861, Instituto di Ricerca Sulle Acque, Consiglio Nazionale delle Ricerche, Via Mulino 19, IT 20861, Brugherio, MB, Italy, , Italy; BRGM, Orleans, F 45060, BRGM, F 45060, Orleans, France, , France; Colorado State University, Soil and Crop Sciences Department, Plant Sciences C117, Fort Collins, CO, 80523, Colorado State University, Soil and Crop Sciences Department, Plant Sciences C117, Fort Collins, CO, 80523, United States, , United States 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. 8 Published version http //www.scopus.com/record/display.url eid=2 s2.0 85113330459 origin=inward Articolo in rivista Nature Publishing Group 2052 4463 Scientific data Scientific data Scientific data claudiogiovanni.roscioli ROSCIOLI CLAUDIO GIOVANNI sapia.murgolo MURGOLO SAPIA saramaria.valsecchi VALSECCHI SARA MARIA giuseppe.mascolo MASCOLO GIUSEPPE |
