NORMANCT15: Target and Suspect Chemicals for Environmental Screening

NORMANCT15 is a curated list of chemical targets and suspects from the NORMAN Collaborative Trial, designed for environmental screening via liquid and gas chromatography-mass spectrometry (LC-MS and GC-MS). The list includes InChIKeys for compound identification and is associated with a peer-reviewed publication detailing its creation. It serves as a reference for detecting known and emerging contaminants in water and other environmental samples.

Use Cases

• Suspect screening in water quality studies based on provided InChIKeys.
• Method development for LC-MS and GC-MS analysis using the listed target compounds.
• Cross-referencing detected environmental contaminants against a curated suspect list.
• Data extraction from public repositories like PubChem using the merged InChIKey file.

Strengths

• List is associated with a peer-reviewed publication (Schymanski et al. 2015, DOI: 10.1007/s00216-015-8681-7).
• Provides specific chemical identifiers (InChIKeys) for both LC-MS and GC-MS analysis.
• Data is openly accessible under an Open Access (green) license.

Limitations

• Key metadata such as row count, column names, and exact dataset size are unknown across all sources.
• The primary data files (CSV, XLSX) were last updated in 2017, and the InChIKey lists from 2016, indicating the core data may not reflect the most recent contaminants.
• Descriptions are repetitive across platforms, suggesting limited independent annotation.

Provenance

Source

NORMAN Suspect List Exchange (SLE), associated with the NORMAN Collaborative Trial.

Collection Method

Curated list of target and suspect chemicals for environmental analysis, likely compiled from collaborative trial data.

Freshness

An update was made on 22/3/2020 with a merged InChIKey file for PubChem extraction, but the core chemical lists date from 2016-2017.