MassBank in silico is a library of MS/MS spectra predicted in silico from compound structures.
This web tool has been developed as part of the Shi-MassBank project.
Users can input exact (monoisotopic) mass and MS/MS spectra in text format,
and compare them with in-silico predicted MS/MS spectra generated from
human-related metabolites registered in HMDB and KEGG, enabling structure annotation.
The tool is accessible via “Structure Annotation” and is freely available without registration or fees.