Skip to main content
Topic: How to export file in .msp format? (Read 163 times) previous topic - next topic

How to export file in .msp format?

Hey everyone!

I am new to MS-DIAL. Every time I tried to export the results from MS-DIAL for further analysis in MS-Finder, I found I can't export file in .msp format(the format which MS-finder required), even though I choose the format to be .msp but the results were always .mgf format. Would you please help me with this problem?

Btw, do you have any recommendations for software for metabolites identification after MS-DIAL analysis?

Thank you so much for your help!

Best,

Jason

Re: How to export file in .msp format?

Reply #1
Hi Jason,

I think, you should select the "msp" format as the export format type which you can choose in the MS-DIAL viewer.
However, for the easiest way, please follow the way of below link.
https://mtbinfo-team.github.io/mtbinfo.github.io/MS-DIAL/tutorial#section-6-1

Also, please make sure, the first choice for metabolite annotation should be performed by using EI-MS or MS/MS spectral libraries. You can download them as the msp format that is required in the parameter option of identification tab from the below link.

http://prime.psc.riken.jp/Metabolomics_Software/MS-DIAL/

Thanks,

Hiroshi

 

Re: How to export file in .msp format?

Reply #2
Hi Jason,

I think, you should select the "msp" format as the export format type which you can choose in the MS-DIAL viewer.
However, for the easiest way, please follow the way of below link.
https://mtbinfo-team.github.io/mtbinfo.github.io/MS-DIAL/tutorial#section-6-1

Also, please make sure, the first choice for metabolite annotation should be performed by using EI-MS or MS/MS spectral libraries. You can download them as the msp format that is required in the parameter option of identification tab from the below link.

http://prime.psc.riken.jp/Metabolomics_Software/MS-DIAL/

Thanks,

Hiroshi

 
Hi Hiroshi

I really appreciate your reply! I do select the '.msp' format when I exported the data but the output file still turned out to be .mgf format. I don't know how to solve this.
The function of linking MS-DIAL to MS-FINDER for searching unknowns is great! However, it seems can only do one unknown compound at one time. Is there any way in MS-DIAL/MS-FINDER to have a high-throughput unknown compounds identification?
Thank you again!

Jason

Re: How to export file in .msp format?

Reply #3
Hi Jason

>>I do select the '.msp' format when I exported the data but the output file still turned out to be .mgf format. I don't know how to solve this.
Could you please explain the detail position that you used? If you are correct and there is such a place, I have to fix the program.

>> it seems can only do one unknown compound at one time. Is there any way in MS-DIAL/MS-FINDER to have a high-throughput unknown compounds identification?

Maybe, you can do like this. (see attached.)
1. On the alignment spot viewer, click "show in table".
2. Click the icon of "MS-FINDER".
3. Click "Setting" to send queries that you want to analyze in MS-FINDER.
4. Then, click Export.

Thanks,

Hiroshi