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Published 20 hours ago • verified publisher icon compomics

Export MGF with annotated fragment ions?

Open denisbeslic opened this issue 2 years ago • 1 comments

Hi!

Is it possible to export the mgf file with the identified fragment ions?

I run a database search via DeNovoGUI using MSGF+ & XTandem!, and want a mgf with the annotated b- and y-ions as a result.

For example:

Input MGF

BEGIN IONS
TITLE=test1
RTINSECONDS=562.54803
PEPMASS=479.76953
CHARGE=2+
211.9772644 1524.0 
226.1559906 10176.0 
305.6876221 1620.0
306.1850586 1068.0
317.1324158 1120.0 
331.1958008 1400.0 
...

Output MGF

BEGIN IONS
TITLE=test1
RTINSECONDS=562.54803
PEPMASS=479.76953
CHARGE=2+
211.9772644 1524.0 
226.1559906 10176.0 b1
305.6876221 1620.0
306.1850586 1068.0
317.1324158 1120.0 b2
331.1958008 1400.0 b3
...

Or is there another way to export the exact mass of the identified fragment ions?

denisbeslic avatar Apr 04 '22 18:04 denisbeslic