- The overall workflow for MS/MS search is shown below.
- In a single-mode search, the MS/MS spectral data including precursor ion mass, fragment ion masses and their intensities are entered for search.
- In a batch-mode search, a CSV file of MS/MS spectra is uploaded to the server for search.
- The matched structure(s) from a MS/MS spectrum can be further inspected against the fragmentation pattern manually to confirm or disapprove a matched structure.
- The matched structure of a MS/MS spectrum should be considered as a putative identification. For positive identification, an authentic standard should be used to compare its molecular mass, MS/MS and retention time with those of the matched structure or compound.