Additional file 5 of patRoon: open source software platform for environmental mass spectrometry based non-target screening

Creators
Contributors
Publication date 2021
Description Additional file 5. Demonstration suspect list. Suspect list that was used for the patRoon demonstration. The list was based on the detected compounds reported in [11], and SMILES identifiers for each suspect were collected from PubChem [24].
Publisher Figshare
Organisations
  • Faculty of Science (FNWI) - Institute for Biodiversity and Ecosystem Dynamics (IBED)
Document type Dataset
Related publication patRoon: open source software platform for environmental mass spectrometry based non-target screening
DOI https://doi.org/10.6084/m9.figshare.13535201.v1
Other links https://springernature.figshare.com/articles/dataset/Additional_file_5_of_patRoon_open_source_software_platform_for_environmental_mass_spectrometry_based_non-target_screening/13535201/1
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