MassBank in silico is a library of MS/MS spectra predicted in silico from compound structures.
Users can input precursor m/z 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.

To perform an analysis, users need to provide the following minimum information:

• ESI type
  [M+H]+, [M-H]-, [M+Na]+, [M+K]+, [M+NH4]+, [M+Cl]-, or [M+FA-H]-
• Precursor m/z
  Observed precursor m/z is used as input.
• Precursor m/z tolerance
  Default: 5 ppm
• Fragment mass tolerance
  Default: 50 ppm
• HRMS/MS spectra
  Plain text format, one peak per line.