Export to GNPS GC-MS (with ADAP)

Description

The GNPS GC-MS module exports all files needed for the GC-MS workflow on the GNPS web-platform. This includes the feature quantification table (CSV file) and the spectral summary (.MGF file) with representative clustered GC-EI-MS spectra for the row in an (aligned) feature list.

Instructions

Run this method on any (aligned) feature List. One of the spectral deconvolution methods need to be run (refer to the ADAP manual).

Parameters

Filename
Base name for the output files
Representative m/z
The m/z value that is exported to the mgf and used in GNPS GC-MS (Options: As in feature table, highest m/z, heighest intensity)
Open folder
Opens the folder containing the output files

Documentation

Please refer to the following documentation for a detailed tutorial: