High-resolution mass spectrometry based non-targeted screening has a huge potential for applications in environmental sciences, engineering and regulation. However, it produces large datasets for which full appropriate processing is a real challenge; the development of processing software is the last building-block to enable large-scale use of this approach. A new software application, SPIX, has been developed to extract relevant information from high-resolution mass spectral datasets. Dealing with intrinsic sample variability and reducing operator subjectivity, it opens up opportunities and promising prospects in many areas of analytical chemistry. SPIX has shown its ability to reveal relevant modifications between two series of large datasets, allowing, for instance, the study of the consequences of a given event on a complex substrate. Most of all – and it is to our knowledge the only software currently available allowing this – it can reveal and monitor any kind of reaction in all types of mixture.
Oceans, seas and watersAddressing target audiences and expressing needs
- Collaboration
We are interested in providing expertise on a new promising monitoring tool capable to provide an overview of contaminant evolution over time in actual water bodies
- Academia/ Universities
R&D, Technology and Innovation aspects
This KER needs collaboration of other academic reasearch groups to test the feasability of the developed software to adapt to different aqueous scenarios and later with companies to increase the TRL of the technology towards demonstration and system development. Private investors ,Public or private funding are required
YES, the results were replicated

