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Topic: No support for custom .msp library in the Lipidomics workflow in MSDIAL 4.9... (Read 2854 times) previous topic - next topic

No support for custom .msp library in the Lipidomics workflow in MSDIAL 4.9...

Hello all,
We made a custom .msp lipidomics library and would like to use it in MSDIAL 4.9.221218. However, in the lipidomics workflow, the program does not allow us to select the .msp file. The select button takes you to lipid subclass slection but does not allow us to browse to the library file. We tried to paste the path to the .msp file in the selection box but upon processing, this link is ignored and a default, build-in library is used instead.
Does anyone have any advice on how to solve this problem?
Thank you,

Re: No support for custom .msp library in the Lipidomics workflow in MSDIAL 4.9...

Reply #1
Hello,
Here is a  solution that has worked for me by asking the software to run a metabolomics analysis, and uplading a lipidomics.msp spectral ibrary:

Hello,

Well, the way lipidomics workflow on MSDIAL is built is that "lipidomics spectral DB" is "inbuilt" and one can not upload external or additional libraries for spectral searches.

if you really have your own and very enriched .msp for lipids, then start as "metabolomics" in the  1st window, and then use the lipidomics .msp as reference spectral library for searching.

This should work for you!

Thanks,
Biswa

 

Re: No support for custom .msp library in the Lipidomics workflow in MSDIAL 4.9...

Reply #2
Thank you Biswa. We were hoping to take advantage of all lipidomics-specific features that the workflow provides. Ability to use own library or amended system library seems like a standard feature that is needed.
Looks like this is addressed in v.5.
Vladimir.