Precursor search in local spectral DB
Description
Run on any feature list to find putative precursor ions (feature list rows) in a local spectral MS/MS library (formats: MoNA json, NIST msp, GNPS json (internal library submission format), JCAMP-DX jdx).
Method parameters
- Peaklist
- Select any peaklist
- Spectral database file
- json/msp from MoNA (MassBank of North America)
- msp NIST format
- JCAMP-DX jdx
- mgf format from GNPS
- json GNPS (format from the spectral DB submission module)
- Precursor m/z tolerance
- Matches the average row m/z against the precursor m/z of the spectral library entry
- Retention time tolerance
- Optional: Only used if the DB entry has a retention time