modifications are not set correctly

support
modifications are not set correctly lode denolf  2024-04-17 06:27
 
Dear,

I am working on a project where I want to see the difference in intensities between peptides labeled with a Heavy acetyl group and not.
When I try to insert the peptide list I will give me an error and I don't know how to adjust my imput so that I can continiue

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Skyline
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The following modifications could not be interpreted.

C[+103.05421] K[+92.0655] M[+42.01057][+15.99492] M[+46.03275][+15.99492]
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OK More Info
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System.FormatException: The following modifications could not be interpreted.

C[+103.05421] K[+92.0655] M[+42.01057][+15.99492] M[+46.03275][+15.99492]
   at pwiz.Skyline.Model.ModificationMatcher.CreateMatches(SrmSettings settings, IEnumerable`1 sequences, MappedList`2 defSetStatic, MappedList`2 defSetHeavy, IProgressMonitor progressMonitor, IProgressStatus status) in C:\proj\skyline_23_1\pwiz_tools\Skyline\Model\ModificationMatcher.cs:line 65
   at pwiz.Skyline.EditUI.PasteDlg.AddPeptides(SrmDocument document, Boolean validating, IdentityPath& selectedPath) in C:\proj\skyline_23_1\pwiz_tools\Skyline\EditUI\PasteDlg.cs:line 277
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This is the error I got and it happens to the modifications that contain the Acd4 modification (4Da heavier then Ace) in combination with a sertain fixed modification (Carbamidomethylation, fixed Acd4 on K or Methionine Oxidation).

I also tried it where I gave all the modifications in the peptide modifications tab and specify what modifications are in the sample and which ones should be fixed or variable.

In the latter case, I just had double the ammount of peptides where one would be with an Acd4 label and the other without.

I can send you a dat and raw file for 1 of the samples (in total 32) to have a look if you can find a way around this problem.
I will also send you the list of peptide sequences and also the one where I added the Modifications.

F010708.dat contains the NH2 searches
F010740.dat contains the Acd4 searches


Thanks in advance for the help
Lode Denolf
 
 
Nick Shulman responded:  2024-04-17 07:23
Can you send us your Skyline document?
In Skyline you can use the menu item:
File > Share
to create a .zip file containing your Skyline document and supporting files including spectral libraries.

If that .zip file is less than 50MB you can attach it to this support request.
You can always upload larger files here:
https://skyline.ms/files.url
-- Nick