News: SPIX 2.0 is now available!!!

SPIX 2.0 includes the management of retention times as well as the use of XML and mzXML data format.

SPIX allows the comparison of populations of complex mass spectra; it takes into account the intrinsic variability of experimental data and thus is able to spot very low but significant differences between two complex samples subject to high variability. It can permit for instance reliable determination of toxic compounds at trace levels in highly complex matrices with natural intrinsic variability such as water or ground samples, food, blood, etc.

Furthermore, SPIX is the only software currently available, which make possible to follow the evolution of a sample over time. It allows automatic detection of compounds (even at trace amounts) whose concentration evolution follows one of the kinetics models proposed in the version 1.0 of SPIX: growth, decrease, growth followed by decay, etc. It aims at highlighting reactions occurring in a complex mixture under the influence of light, temperature, the addition of a chemical reagent, etc. and is able to characterize reagents, products and transitory species among thousands of molecules whose concentrations are subject to natural variability. This feature can find many applications such as, for instance, following the photodegradation of some pesticides submitted to sunlight irradiation on fruits or that of active principles in cosmetic emulsions.

See how to download and install SPIX 2.0 and the demo data.

SPIX is the result of a collaboration between Xpop, an Inria-Ecole Polytechnique joint team specialized in the development of statistical methodologies for modelling complex phenomena, and the laboratory of molecular chemistry (LCM) of Ecole Polytechnique.