Detecting pharmaceuticals and their transformation products with SIRIUS

Detecting pharmaceuticals and their transformation products with SIRIUS

Pharmaceuticals in wastewater aren’t just about the active drugs—they break down into transformation products that can be even more toxic, persistent, and bioactive. These hidden contaminants often escape detection by traditional methods. With SIRIUS, we screened 92 river water samples for precursor drugs and transformation products. We found 80 drugs and 292 transformation products, many invisible to traditional methods.

The easy way to comprehensive structure elucidation​

SIRIUS is the comprehensive software solution for the high-throughput identification of small molecules from fragmentation mass spectrometry data. SIRIUS provides a comprehensive set of features spanning every step from feature detection to detailed result validation. It is designed to not only accurately characterize known compounds but also to confidently identify “unknown unknowns” in complex biological samples. 

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