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