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Metabolite_DeNovoID

OpenMS Mass spectrometry Metabolomics
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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

  • Home of the OpenMS plugin
  • Example Data

Used extensions & nodes

Created with KNIME Analytics Platform version 4.7.1
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    Generic Workflow Nodes for KNIME

    Freie Universitaet Berlin, Universitaet Tuebingen, and the GenericWorkflowNodes Team

    Version 1.0.0

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    OpenMS

    Version 2.7.0

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    openms-team
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