Metabolomics Society Forum

Software => MS-DIAL => Topic started by: vso on August 24, 2023, 11:19:14 AM

Title: Large TGs identification/ spectrum prediction
Post by: vso on August 24, 2023, 11:19:14 AM
Hello,

I wasn't sure where to post this but since lipidblast is offered with MS-DIAL I'll try here.

Is there a way to predict ms/ms spectra for structures that are not currently covered by lipidblast (e.g. TGs > 80 carbon atoms with unsaturated acyl chains) in order to be able to identify very large lipids. E.g. I have ms/ms spectra for TGs with precursors >1300Da that cannot be identified by MS-Dial.

Thanks in advance