Does the .mgf file exported from mzmine 2.51 include the MS1 spectra?

[peijiying]

Basic information

• My operating system and version: window 64
• My MZmine version: 2.51

What happened

When I try to analyze the .mgf file exported from mzmine 2.51, I found that the MS1 spectra were not shown. So I can not get the isotope score based on present .mgf file to more accurately predict the molecular formula. Why the MS1 spectra was not shown?

Thanks for the help.

[robinschmid]

Try using MZmine 3 and the SIRIUS export it contains MS1 and MS2
If you are a developer also consider joining the project and you will get access to way more information that captured by just MGF.

I guess you are talking about the GNPS mgf and that's the requirements from GNPS. feature table and mgf with only MS2

[peijiying]

Thanks for the repky. Best wishess!

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---Original--- From: "Robin ***@***.***> Date: Mon, May 15, 2023 19:45 PM To: ***@***.***>; Cc: ***@***.******@***.***>; Subject: Re: [mzmine/mzmine3] Does the .mgf file exported from mzmine 2.51include the MS1 spectra? (Issue #1337) Try using MZmine 3 and the SIRIUS export it contains MS1 and MS2 If you are a developer also consider joining the project and you will get access to way more information that captured by just MGF. I guess you are talking about the GNPS mgf and that's the requirements from GNPS. feature table and mgf with only MS2 — Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: ***@***.***>