Identification of small molecules via spectral library search using MetaboliteSpectralMatcher.
Example input data:
To download the data from the archive linked below, check the box on the folder and click on the download button (arrow) on the top left.
Download and unpack the "Example_Data" data into a directory "Example_data" right inside your KNIME workspace.
Workflow
Metabolite_SpectralID
External resources
Used extensions & nodes
Created with KNIME Analytics Platform version 4.7.2
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Generic Workflow Nodes for KNIME
Freie Universitaet Berlin, Universitaet Tuebingen, and the GenericWorkflowNodes Team
Version 1.1.0
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