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.
Workflow 
Metabolite_DeNovoID
External resources
Used extensions & nodes
Created with KNIME Analytics Platform version 4.7.1
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Freie Universitaet Berlin, Universitaet Tuebingen, and the GenericWorkflowNodes Team
Version 1.0.0
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Version 2.7.0
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