A critical look at how spectral denoising affects compound identification and molecular network reliability.
A study found that applying a standard 5% intensity cutoff was often too aggressive, resulting in the loss of nearly 50% of the ions explained by SIRIUS.
N. Dalla Valle et al. Anal. Chem. (2025) doi: 10.1021/acs.analchem.5c02109
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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