Skip to main content
Topic: GNPS export function (Read 139 times) previous topic - next topic

GNPS export function

Dear MS_dial developer,

I have a question about the GNPS export function.

When I use the "export GNPS" function, I have:
- the peak table
- the MGF file
I do not understand why I don't find all the IDs of the peak table in the MGF file. I took an example here (Présentation1.pdf) where I have the IDs 9,10,11,15, 26,34 which are present in the peaktable. However in the MGF file, the ID 15 and 26 are not present. If it is because IDs 15 and 26 are not MSMS data, can we create an MGF file corresponding exactly to the peak table?

Best regards community,

Re: GNPS export function

Reply #1
In addition to my question from yesterday, can we export a * .MGF file and a peaktable * .csv or * .txt using spectra from the "MS2 acquired" filter?

 

Re: GNPS export function

Reply #2
Hi Sebas,

I made the export function for GNPS with the suggestions from GNPS developers.
Therefore, what I made is what GNPS requires on the server.
https://ccms-ucsd.github.io/GNPSDocumentation/featurebasedmolecularnetworking-with-ms-dial/

If you wanna get all of required information with a good computational skill, "mztab-M" format export should be a great option to retrieve the standardized metadata (available from version 4.10).


--can we export a * .MGF file and a peaktable * .csv or * .txt using spectra from the "MS2 acquired" filter?
Sorry, there is no function yet. It should be in the to-do list for the future development.

Thanks,

Hiroshi