NORMAN Suspect List: MassBank Compounds for Environmental Screening

S1 MASSBANK is a collection of chemical compound data contributed by the NORMAN Network to MassBank.EU, a mass spectrometry database. The dataset is associated with suspect screening workflows in environmental chemistry, likely containing mass spectra and compound identifiers. It was processed using the RMassBank software, as described in the 2013 publication by Stravs et al.

Use Cases

• Suspect screening of environmental samples based on mass spectral data.
• Reference library creation for mass spectrometry workflows using the RMassBank tool.
• Identification of unknown compounds by matching against the NORMAN-contributed spectra.
• Compilation of suspect lists for high-resolution mass spectrometry (HRMS) analysis.

Strengths

• Associated with the established NORMAN Suspect List Exchange and MassBank.EU platforms.
• Has a persistent dataset DOI (10.5281/zenodo.2621390) for citation.
• Processed with a published, peer-reviewed methodology (RMassBank, Stravs et al. 2013).

Limitations

• Key metadata such as row count, column names, and specific file size are unknown across all sources.
• The last update date is unclear; one source mentions a 2017 date for a related list, but the dataset's own freshness is not specified.
• Platform tags are inconsistent, with some sources listing irrelevant tags like 'Art'.

Provenance

Source

NORMAN Network contributions to MassBank.EU (www.massbank.eu).

Collection Method

Compounds were typically processed with the RMassBank software.