Description:
Currently, the small_molecule_evidence table in mzTab-M only includes features or spectra that have an annotation. This makes it impossible to track MS/MS spectra that were acquired but did not match any known compound.
Proposed change:
- Add entries to the
small_molecule_evidence table for unannotated MS/MS spectra.
- For these entries, populate the following fields:
identifier (or name) = null
evidence = 0
- Introduce a new optional column to indicate MS/MS matching status:
opt_global_MSMSmatched → value can be TRUE or FALSE