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Topic: MS-DIAL does not export MRMPROBES library correctly (Read 195 times) previous topic - next topic

MS-DIAL does not export MRMPROBES library correctly

Hi,
I have a problem with exporting MRMPROBES library. I have manually curated my UPLC-QTOF-MS data and used the default parameters to export MRMPROBES library. However, the exported table looks weird and is not the same as my identified table (see attachments).

Does anybody have experience?

best,
Sukis

Re: MS-DIAL does not export MRMPROBES library correctly

Reply #1
Hi,
what is the problem? It looks fine. You can probably play with deconvolution params in MS-DIAL to get cleaner spectra and more reasonable MRMs.
Ondrej

Re: MS-DIAL does not export MRMPROBES library correctly

Reply #2
Maybe...Please untick "use reference spectrum" in MRMPROBS library export settting.
Thanks,

Hiroshi

Re: MS-DIAL does not export MRMPROBES library correctly

Reply #3
Hi Ondrej,
The problem was that the exported file is different from my table list.

best,
Sukis



Re: MS-DIAL does not export MRMPROBES library correctly

Reply #6
Hi Hiroshi,
I have tested the latest version. It works fine now. But it still includes compounds that have already been denied as identified during manual curation.  Anyway, it is fine. I can manually delete them.

Thanks a lot.
Sukis

Re: MS-DIAL does not export MRMPROBES library correctly

Reply #7
Hi Hiroshi,
Just one more thing. I found the latest version MSDIAL exports all initial identification by the software itself but ignores all manual curation even though I have ticked the ref.match box.

Best,
Sukis

Re: MS-DIAL does not export MRMPROBES library correctly

Reply #8
Hi Sukis,

for this issue, I cannot reproduce your issue.
For example, how do you exclude automatically annotated metabolite information in MS-DIAL?
I personally tried to do it with Control+D that converts the annotated information (library ID >= 0) into unknown (library ID < 0).
As long as I use this, the exported reference library with the option of "Use reference spectrum to make MRMPROBS library". If you untick this option, the program always exports all peaks.

Thanks,

Hiroshi
 

 

Re: MS-DIAL does not export MRMPROBES library correctly

Reply #9
Dear Hiroshi,
You are true. The problem was that I didn't untick "Use reference spectrum to make MRMPROBS library". It works perfectly now.

Best,
Sukis