How to Screen for Transformation Products

How to Screen for Transformation Products

Chemical breakdown products of pharmaceuticals, pesticides, or industrial chemicals can be more persistent, bioaccumulative, and even more harmful than the original compounds. As most of them are not contained in spectral libraries or structure databases, they remain unidentified, posing long-term risks to ecosystems and public health.

Our latest tutorial walks you through non-targeted screening of transformation products using SIRIUS.

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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