Efficient analysis of metabolic profiling data to answer specific biological questions represents a significant challenge. This site provides access to the system for storage, retrieval and analysis of large sets of metabolic profiling data and coupling it to other relevant biological information. System has an open architecture and we are developing software to accommodate different input formats, additional data types and extend analysis and presentation capabilities.
What is available
System currently includes routines for compound matching between individual samples based on the mass spectra and chromatographic behavior and for data normalization using either internal reference or total ion chromatogram (TIC). Input data and processing results are stored in the relational database (MySQL) and may be retrieved through a highly intuitive web interface. Analysis options combine statistical comparison for detected compounds between experimental conditions with rich sorting and filtering capabilities. That simplifies identification of groups of metabolites exhibiting similar trends. In order to clarify doubts about validity of automatic peak alignment and compound identification tools for comparison between separate samples and library compounds are also available including access to original chromatogram traces and deconvoluted mass spectra for individual samples as well as to mass spectra for authentic standards and selected MS library entries