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Title: Selecting peaks to export as .mgf
Post by: JeanFroment on March 04, 2020, 07:05:26 AM

Hi everyone,

I was wondering if there is a possibility to export only selected peaks in an .mgf file. I can explain what I'm trying to do: I run a number of samples in MS-DIAL and looked for MS2 matches using the available databases. With the remaining peaks (which on MS-Dial have these filters: MS2 acquired, Blank filter, and Unknown) I would like to export only these ones into SIRIUS (for formula and structure prediction). Via the ion table, I can send only these peaks to MS-Finder which is great but if it's possible I would like to compare the results from MS-Finder with what I would obtain by using SIRIUS. Any idea?

Thanks
Jean

Title: Re: Selecting peaks to export as .mgf
Post by: Hiroshi Tsugawa on March 15, 2020, 07:06:48 AM

Hi Jean

currently, there is no "useful" export option to export mgf format files in table viewer utilities.
At least, of course, you can export the mgf format file of all spectra from Export-> Alignment result export.
Thanks,

Hiroshi

Title: Re: Selecting peaks to export as .mgf
Post by: spapaz on March 20, 2020, 02:52:18 AM

Yes, I agree, it would be wonderful to have the possibility to select some features from the Table Viewer and export only those spectra them in mfg so that we can focus on only some important features for identifications (for use in SIRIUS).

Thanks!

Stefano

Metabolomics Society Forum

Software => MS-DIAL => Topic started by: JeanFroment on March 04, 2020, 07:05:26 AM