Cannot export aligned GC-MS data for GNPS networking

October 14, 2021, 03:31:59 AM

Hi all,

I have procesed GC-MS data with MS-Dial and now wish to export the data to GNPS to perform feature based molecular networking. The GNPS data export option in MS-Dial (Ver 4.7) is unfortunately not available (see attached image) and the mgf file created using other exporting options does not meet GNPS requirements.

In a previous post in this forum it was mentioned that one had to go to Data vizualization -> molecular spectrum networking after alignment. This however just open a network in the browser with no options for exporting a GNPS compatible mgf file and does not seem to solve the problem.

Suggestions for how to solve this would be most welcomed!

Thanks,
Nanna

http://www.metabolomics-forum.com/index.php?action=dlattach;sa=tmpattach;attach=post_tmp_16482_18a99e099322c9f3ee84ac027b1673f9;topic=0

Re: Cannot export aligned GC-MS data for GNPS networking

Reply #1 – October 14, 2021, 04:22:27 PM

Hi Nanna,

sorry, I did not prepare the export option of gnps for GC-MS project.
I will ask the GNPS developers to know what kind of gnps format is required as the export format.

Hiroshi

Re: Cannot export aligned GC-MS data for GNPS networking

Reply #2 – October 18, 2021, 03:13:09 AM

Thanks Hiroshi! Do you plan to implement GNPS export for GC-MS data in the future?

Nanna.

Re: Cannot export aligned GC-MS data for GNPS networking

Reply #3 – January 17, 2022, 05:05:38 AM

I had the same problem. No solution yet.