This thesis has been prepared in the frame of the time of flight secondary ions mass spectrometry experiment called COSIMA on board the ESA's Rosetta cometary mission. This instrument will collect and measure the chemical nature of the grains of the comet 67P/Churyumov-Gerasimenko. The aim of my thesis is to prepare and facilitate the interpretation of mass spectra of COSIMA, especially their refractory organic component. Therefore, the mass spectra of two families of pure compounds (nitrogen heterocycles and carboxylic acids) have been measured with a laboratory instrument tailor-made to have instrumental characteristics similar to those of COSIMA.. We have established that those data can be considered as reference mass spectra to be used by the COSIMA team. This database has been a starting point for the search for markers to distinguish molecules composed of specific atoms. Two markers have been found. Nevertheless they should be handled with caution because of bias that can be induced by the presence of minerals in grains or contaminants on the targets. Cometary organic matter analogs have also been analyzed. These measurements show that the spectra collected with COSIMA can have significant biases. Identification of HCN polymers is compromised. However, the analysis of a grain from the Murchison meteorite shows that the distinction between inorganic and organic compounds is feasible. In addition, the signatures of key compounds such as hexamethylenetetramine or polyoxymethylene (POM) are clearly identifiable in the positive mode of the instrument. Since the POM is thermally unstable, a kinetic study of its thermal degradation has been carried out to constrain the operational strategy to be adopted for its detection. To maximize the chances to detect it in the cometary grains, analyses by COSIMA must be made within fifteen days after the collection of grains.
