SIRIUS transforms how you analyze your small molecule LC-MS data:

• preprocess your LC-MS/MS data with automatic feature detection, feature alignment and adduct detection including quality metrics for easy prioritization
• effortlessly annotate molecular formulas from isotope pattern and MS/MS spectra
• confidently predict molecular structures by searching molecular structure databases
• generate molecular structures from MS/MS spectra from scratch
• quickly predict compound classes without relying on any database
• inspect results based on multiple validation levels, such as confidence scores and substructure annotations
• seamlessly combine powerful structure annotation tools with your in-house spectral libraries