Input Data for TraceBase

TraceBase accepts mass spectrometry data that has been corrected for the natural abundance of isotopomers.

Specifically, tracebase supports the output from two popular tools for natural abundance correction: Accucor (https://doi.org/10.1021/acs.analchem.7b00396) and isocorr13C15N.

Diagram showing the file types that can be uploaded to TraceBase

Therefore, a typical workflow to put data on TraceBase could be:

  1. Select peaks from a set of .mzXML files using Maven or El-Maven.
  2. Correct for natural abundance using Accucor or isocorr13C15N.
  3. Upload data to TraceBase.

TraceBase uses the Sample Information Sheet to label and organize this data, and produces three types of output formats.