Desarrollo de bases de datos de masas exactas de iones para el control exhaustivo y automatizado de contaminantes en alimentos mediante cromatografía de liquidos-espectrometría de masas de alta resolución

Résumé

An increasing number and variety of organic contaminants can be detected in food samples. Official laboratories are focused on the analysis of the most frequently used and scarce attention is paid to compounds infrequently employed. Far this reason, the main purpose of this PhD Thesis was to develop a methodology using liquid chromatography-hig h resolution mass spectrometry far the screening of a high number of organic contaminants (more than 600). Using the methodology proposed , retention times and miz values of each compound were collected. With specific software, that information was useful far the determination of those organic contaminants in real samples, like wines or jams . Several software parameters were previously optimized. To meet the requirements of DG SANCO 1257112013 for the identification of compounds, fragmentation information was studied in detail. Ion-source fragmentation and "al/ ion mode" fragmentation were used to obtain fragments of each compound.