Exporting the original transition list with precursor formula as chemical symbols

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Exporting the original transition list with precursor formula as chemical symbols elia ceppi  2024-07-16 02:07
 

Hi,
I am working with skyline (64-bit) version 23.1.0.455 using the small molecule settings. Since I cannot find the original transition list of a very important Skyline file, I was wondering if there is a way to export the precursor formula with chemical symbols and not the resulting mass. I tried exporting different parameters, but all of them just show masses and not the chemical symbols.

Is there a way to solve this? Many thanks for your time.

Bests,
Elia

 
 
Nick Shulman responded:  2024-07-16 08:25
If you are not seeing a chemical formula in the "Molecule Formula" column then that would seem to indicate that Skyline does not know the chemical formula of the molecules.
That is, it looks like when these molecules were first added to Skyline they were specified using m/z values instead of using chemical formulas.

If you send us your Skyline document we could see whether there is anything in there that might tell you what the chemical formulas are, but it's likely the information really is not there.

In Skyline you can use the menu item:
File > Share
to create a .zip file containing your Skyline document and supporting files including extracted chromatograms.

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
 
elia ceppi responded:  2024-07-17 02:48
Thank you for your response.

I've attached my Skyline documents for your review. If there's any information that could help identify the chemical formula, your insights would be appreciated.

Thank you!
Elia
 
Nick Shulman responded:  2024-07-17 08:02
Thank you for sending that Skyline document.
There does not appear to be any information in there which would indicate what the original chemical formulas of those molecules might be.

If you go to:
View > Other Grids > Audit Log
you can see the record of everything that was done to the document.

You can see that a transition list was pasted into the document at 10:49am on March 11, but there is no information there about the chemical formulas.

You can learn more about the Audit Log in the Audit Log tutorial:
https://skyline.ms/wiki/home/software/Skyline/page.view?name=tutorial_audit_log

-- Nick
 
elia ceppi responded:  2024-07-18 06:01
Got it, thank you very much for the great support.

Bests,
Elia