SIRIUS plays a significant role in prioritization strategies for non-target screening in environmental samples. Its primary function is to generate molecular fingerprints from MS/MS data, which are then used for compound identification or toxicity prediction.
A. Torres-Agullo et al. J. Chromatogr. A (2025) doi: 10.1016/j.chroma.2025.465944
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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