NORMAN-SLE
NORMAN-SLE provides a curated exchange of suspect chemical lists to support suspect screening by high-resolution mass spectrometry of environmental samples.
Key Features:
- Extensive database: Contains 99 separate suspect list collections contributed by over 70 collaborators worldwide, totaling more than 100,000 unique substances covering PFAS, pharmaceuticals, pesticides, natural toxins, high production volume substances under the European REACH regulation, priority contaminants of emerging concern (CECs), and regulatory lists from NORMAN partners.
- Focus on transformation products (TPs): Hosts multiple suspect lists dedicated to transformation products and complex environmental features with varying levels of provenance and structural information.
- FAIR data principles and curation: Adheres to FAIR principles and provides a merged, curated collection as NORMAN SusDat for consolidated suspect-information management.
- Integration with major chemical databases: Progressive integration of NORMAN-SLE content into PubChem and the US EPA CompTox Chemicals Dashboard for extended annotation and cross-referencing.
- DOIs and versioning: Each suspect list is assigned a Digital Object Identifier and undergoes traceable versioning via a Zenodo community.
- Support for regulatory assessment approaches: Facilitates the "one substance, one assessment" concept by enabling information exchange between scientists and regulators.
Scientific Applications:
- Suspect screening by HRMS: Provides curated suspect lists to support identification workflows in high-resolution mass spectrometry studies of environmental samples.
- Environmental contaminant surveillance: Supplies prioritized lists of PFAS, pharmaceuticals, pesticides, natural toxins, TPs, and CECs for monitoring and research on environmental contamination.
- Regulatory assessment and prioritization: Supports regulatory evaluation and prioritization efforts through consolidated substance information and standardized list versioning.
- Data integration and annotation: Enables enrichment of suspect entries via cross-references to PubChem and the US EPA CompTox Chemicals Dashboard for additional properties and identifiers.
Methodology:
Compilation and curation of suspect lists; assignment of DOIs and traceable versioning via Zenodo; creation of a merged NORMAN SusDat collection; progressive integration of content into PubChem and the US EPA CompTox Chemicals Dashboard.
Topics
Details
- Cost:
- Free of charge
- Tool Type:
- web application
- Operating Systems:
- Mac, Linux, Windows
- Added:
- 3/23/2023
- Last Updated:
- 3/23/2023
Operations
Data Inputs & Outputs
Publications
Mohammed Taha H, Aalizadeh R, Alygizakis N, Antignac J, Arp HPH, Bade R, Baker N, Belova L, Bijlsma L, Bolton EE, Brack W, Celma A, Chen W, Cheng T, Chirsir P, Čirka Ľ, D’Agostino LA, Djoumbou Feunang Y, Dulio V, Fischer S, Gago-Ferrero P, Galani A, Geueke B, Głowacka N, Glüge J, Groh K, Grosse S, Haglund P, Hakkinen PJ, Hale SE, Hernandez F, Janssen EM, Jonkers T, Kiefer K, Kirchner M, Koschorreck J, Krauss M, Krier J, Lamoree MH, Letzel M, Letzel T, Li Q, Little J, Liu Y, Lunderberg DM, Martin JW, McEachran AD, McLean JA, Meier C, Meijer J, Menger F, Merino C, Muncke J, Muschket M, Neumann M, Neveu V, Ng K, Oberacher H, O’Brien J, Oswald P, Oswaldova M, Picache JA, Postigo C, Ramirez N, Reemtsma T, Renaud J, Rostkowski P, Rüdel H, Salek RM, Samanipour S, Scheringer M, Schliebner I, Schulz W, Schulze T, Sengl M, Shoemaker BA, Sims K, Singer H, Singh RR, Sumarah M, Thiessen PA, Thomas KV, Torres S, Trier X, van Wezel AP, Vermeulen RCH, Vlaanderen JJ, von der Ohe PC, Wang Z, Williams AJ, Willighagen EL, Wishart DS, Zhang J, Thomaidis NS, Hollender J, Slobodnik J, Schymanski EL. The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Environmental Sciences Europe. 2022;34(1). doi:10.1186/s12302-022-00680-6. PMID:36284750. PMCID:PMC9587084.