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Topic: Database (Read 138 times) previous topic - next topic

Database

Dear community,

I have samples which consist of lipids (TG, PC, PE, CL) which are not present in the database (unusual fatty acids). I would like to create a * txt or * msp file of MSMS spectra of my lipids automatically.
Is it possible to do this using the lipidblast template to generate in silico MSMS spectra of my PC, PE, TG, CL having unusual fatty acids?
Best regards,

Sebas

Re: Database

Reply #1
Best regards
Sebas

Re: Database

Reply #2
Hi Sebastien:

Sure, you can do it. MS-DIAL provides two project options (metabolomics and lipidomics). Currently, metabolomics project allows both user-defined MSP and user-defined TEXT libraries. In contrast, lipidomics project allows user-defined TEXT library but not allow user-defined MSP library. Therefore, if you create in silico MSP format by lipidblast template, you can use it in the metabolomics project platform.

Thanks,

Hiroshi