Metabolite_DeNovoID

Uses adduct grouping and de-novo identification with SIRIUS/CSI:FingerID.

Example input data:
To download the data from the archive, check the box on the folder and click on the download button (arrow) on the top left.
Download and unpack the "Metabolomics" data into a directory "Example_data/Metabolomics" next to this workflow inside your KNIME workspace.

External resources

• Example Data
• Home of the OpenMS plugin