Resources and Tools
A collection of online resources I have developed for processing metabolomics data. These are all open source and free to use. See the publications section for the appropriate publication. Feel free to contact me if you are having difficulties deploying or using any of these resources and tools. Please cite all work when appropriate.
Normalize to Total Derivitized Peak Area: MATLAB code developed for using mass spectra to compute total derivitized peak area in a sample for GC based metabolomics studies. totalDerivPeakNorm
Region of Interest Selection for GC×GC-MS data: MATLAB code for probability based ROI selection tool for GC×GC-MS data. Can be incorporated into any existing chemometrics workflow. ROI-Code-GC×GC-MS
HormonomicsDB: A free webtool developed for the putative identification of phytohormones and their conjugates in untargeted LC-MS datasets. Includes an option to query against a custom database. HormonomicsDB.com
Region of Interest Selection for GC-MS: MATLAB code for a probability based ROI selection tool for GC-MS data. Can be incorporated into any existing chemometrics workflow. ROI-Code