UHPLC-QTOFMS data from a urine sample - mzML files with scans in profile or centroid spectrum format

Those datasets are characteristics of urine samples separated by UHPLC - QTOF MS. The mzML format has been developed by the Human Proteome Organisation (HUPO) and allows to convert proprietary instrument files to an open format that can be used with the various numerical computing environment. Those datasets have been used in the development of the Finnee Matlab toolbox.

The original Bruker file that was used to create the mzML files has been graciously donated by Alejandro Cifuentes from the Laboratory of Foodomics (CIAL, CSIC, Madrid, Spain).