This directory contais MS-based data used for Metabolomics data analysis in either mzXML or mzML open standard formats. Conversion from vendor binary files was done through Proteowizard MS-Convert. The directory structure is as follows: Files starting with GC-qTOF are: Data from GC-qTOF(EI ionization) in mzXML format. Files containing replicates of the experimental groups and QC samples LC-qTOF(ESI-)_LC-qTOF(ESI+): Data from LC-qTOF(ESI+ ionization mode) in mzML format. Subdirectories containing replicates of the experimental groups and QC samples LC-qTOF(ESI-) : Data from LC-qTOF(ESI- ionization mode) in mzML format. Subdirectories containing replicates of the experimental groups and QC samples MS2: Contains data from MS/MS experiments used for identification purposes. Data from LC-qTOF(ESI+ ionization mode) in mzML format.