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Precursor search in local spectral MS/MS library

Description

Feature list methods → Annotation → Search precursor mass → Precursor search in spectral libraries

This module uses a local spectral MS/MS library to search for putative precursor ions in a feature list.

Supported formats:

  • MoNA *.json,
  • NIST *.msp,
  • GNPS *.json (internal library submission format),
  • and JCAMP-DX *.jdx.

Parameters

Spectral libraries file (MS/MS)

Name of the library file of the supported format.

Precursor m/z tolerance

Matches the average row m/z against the precursor m/z of the spectral library entry

Retention time tolerance

Optional parameter, should only be used if the DB entry has a retention time

omokshyna


Last update: November 24, 2022 21:13:07