mass_match_candidates
Computes neutral monoisotopic mass windows from given m/z and adduct for metabolite candidate matching via subsequent database searches.
Instructions
m/z + adduct -> neutral monoisotopic mass windows (weak evidence). Hand the window to search_synonym / a DB search; never accept a mass-only hit as primary.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| mz | Yes | ||
| adducts | No | ||
| tol_ppm | No |