Result description
UMSA is an untargeted mass-spectrometry analysis service from RECETOX (Research Centre for Toxic Compounds in the Environment at Masaryk University) in the Czech Republic. The service is evolving to a key component of the emerging EIRENE ESFRI. By means of the integration in EOSC, uniform access to data and computing resources are provided, scaling the service to the target European-wide user community. Typically, mass spectrometry is done in a targeted way to confirm or disprove the presence of a specific compound in a sample. On the contrary, we aim at processing data to correlating the whole spectra (ie. all the present compounds) with other data (social, medical, other sample analyses, etc.) to work with more complex hypotheses of environmental impacts on human health. The platform is built on the well-known Galaxy framework, and it includes dozens of open-source tools tightly integrated into fully functional workflows.
Addressing target audiences and expressing needs
- Use of research Infrastructure
- Collaboration
We are looking for potential pilot users and collaborators, who would use the service with datasets acquired from independent studies, other laboratory equipment etc., and who may need to extend the set of tools and workflows. Contributions to these developments are also more than welcome.
- Academia/ Universities
R&D, Technology and Innovation aspects
Individual tools (including multiple alternatives when appropriate) are integrated and fully operational. Essential workflows for processing data of untargeted mass spectrometry experiments (coupled with both liquid and gas chromatography) are assembled and under thorough evaluation. Advanced machine learning based techniques are being developed to increase sensitivity and selectivity of the analyses.
UMSA is a 100% software tool which uses state-of-the-art software engineering approaches (version control, continuous integration …) to achieve full reproducibility.
