Untargeted Metabolomics through accurate mass search in MS data

This workflow performs a simple untargeted identification and quantification of metabolites from liquid chromatography mass spectrometry experiments (in mzML format).
It uses an accurate mass search based on feature data to lookup compounds in a database. Exports and visualizations of quant. results are also shown.
Input data is automatically downloaded via http from a public respository.

External resources

• OpenMS homepage
• Converted input data
• Original data