ArticleScientific data2021
Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis.
Article in Scientific data, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- A multiplatform chromatography-mass spectrometry dataset for targeted and suspect screening of pollutants.Scientific data · 2026Article
- Review
- Complementary methods for structural assignment of isomeric candidate structures in non-target liquid chromatography ion mobility high-resolution mass spectrometric analysis.Analytical and bioanalytical chemistry · 2023Article
- Novel nontarget LC-HRMS-based approaches for evaluation of drinking water treatment.Environmental monitoring and assessment · 2023Article
- Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data.Journal of cheminformatics · 2023Article
- Critical assessment of chromatographic metadata in publicly available metabolomics data repositories.Metabolomics : Official journal of the Metabolomic Society · 2022Article
- The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry.Environmental sciences Europe · 2022Article
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Authors and funding
44 authors.
Funding
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.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.