Icon

Metabolite_​SpectralID

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.

URL: Home of the OpenMS plugin https://www.openms.de/
URL: Example Data https://abibuilder.cs.uni-tuebingen.de/archive/openms/Tutorials/

Metabolomics Identification with spectral librariesIdentification of small molecules via spectral library search usingMetaboliteSpectralMatcher. InputDatabaseNode 266MetaboliteSpectralMatcher MzTabReader File Importer File Importer Excel Writer Ungroup Metabolomics Identification with spectral librariesIdentification of small molecules via spectral library search usingMetaboliteSpectralMatcher. InputDatabaseNode 266MetaboliteSpectralMatcher MzTabReader File Importer File Importer Excel Writer Ungroup

Nodes

Extensions

Links

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: rurik
Created at: 2017-04-18
On NodePit since: 2018-06-16
Last update: 2024-11-21
Created with KNIME version: v5.2.1
Tags: OpenMSMass spectrometryMetabolomics

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!