Export MRM to Waters TQ CE formating should be "eV"

support
Export MRM to Waters TQ CE formating should be "eV" per larsson  2024-09-25 10:51
 

Version:Skyline-daily (64-bit) 24.1.1.254 (ba32f7f50)
I have had problems to export MRMs to .exp file for waters TQAbsolute. I was able to find the cause. I used a template file with an MRM created in Masslynx.

Skyline writes the "CollisionEnergy(V)_10.000," (for a collision energy of 10eV) this results in an error in Masslynx since collision energy is not regognized.

In masslynx files the collision energy is written as "CollisionEnergy(eV)_1,10.000" the missing e results in that the CEs are not read by masslynx. This can be fixed in word by replacing the wrong term with correct but it would be better if skyline developers fixed this.

Also please make it possible to export retention times (start and stop) and polarity from skyline to masslynx

Regards,
Per

 
 
Nick Shulman responded:  2024-09-25 12:28
Can you send us your Skyline document, template file, and the method file that Skyline exported?

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 and the template file and your exported method files are less than 50MB you can attach them to this support request.
You can upload larger files here:
https://skyline.ms/files.url
-- Nick
 
per larsson responded:  2024-09-26 08:28
Hi Nick,
I have submitted a MRM template file created in Masslynx 4.2 SCN 1045, it was created fresh by making new file in the program.
File1: Abs MRM template default.exp

I have submitted my skyline document with the MRMs to export a number of lipids.
File2: 20240926 exmample Xevo TQ LPC LPE PE lipids.sky

I have submitted the exported file created by skyline.
File3: Skyline export Xevo TQ.exp


The .exp files are text files that can be opened in a text editor like notepad, one can see that the template the collision energy 30 is written as (correct way):
CollisionEnergy(eV)_1,30.0000

In the skyline created .exp file it is written with a (V) instead of (eV):
CollisionEnergy(V)_1,30.0000

Masslynx cant read the collision energy if this error exists. If the incorrect value is replaced in word with correct and saved in the .exp file it will start to work.
 
per larsson responded:  2024-09-27 06:35
Hello,
Update!
After investigating this some more it seems that the exported .exp files from skyline to Waters masslynx and Xevo TQ works with latest Masslynx release SCN1046. In this SCN version CollisionEnergy can be written as either CollisionEnergy(eV)_1 or CollisionEnergy(V)_1, both are accepted.

In earlier version that we have in instrument workstation SCN1045 only CollisionEnergy(eV)_1 works, it has to be electron volts.

 It does seem that CollisionEnergy(eV)_1 is preferable format for writing collision energy in the exp files since it works with older versions of Masslynx.

So to summarize the way my version of skyline daily export CollisionEnergy is as CollisionEnergy(V)_1 that only work for version SCN1046 if this was instead exported as CollisionEnergy(eV)_1 it would work with earlier versions of masslynz also.
The format for collision energy in the template selected does not seem to change this, I have tested different templates from created in different Masslynx SCN.
 
Nick Shulman responded:  2024-09-30 12:28
Per,

Our contacts at Waters have told us that this issue had already been reported and they have indeed fixed this in SCN 1046.
However, they recommend using SCN 1048.

Hope this helps,
-- Nick
 
per larsson responded:  2024-10-04 11:54
Thanks Nick!
I think there are lots of users with older Masslynx SCNs then perhaps this thread might help.

If collision energy in skyline built .exp file does not work, you just need to open the file in a text editor, copy to word and replace
CollisionEnergy(V)_1
with
CollisionEnergy(eV)_1
Then save .exp file with corrected collision energy name then masslynx will read the values correctly.