Hello dears,
How could I export the ms1 and ms2 data together from an alignment result using MS-DIAL in order to obtain in SIRIUS, additional to the scores provided with ms2 data, the SIRIUS isotope score.
I can see that I can from MS-DIAL export the MGF file with the msms data, but when I try to process this in SIRIUS, I have not the ms1 data that could be usefull for the annotation using the SIRIUS isotope score.
Kind Regards.
Hi,
Maybe you can take a look at this thread: http://www.metabolomics-forum.com/index.php?topic=1462.msg4769#msg4769
Best,
Sukis
Sorry, SIRIUS export will be supported very soon in the new version of MS-DIAL. Our plan is delayed actually. Sorry. Hiroshi
Hi,
I implemented the export function for SIRIUS ms format file. However, although it is the same situation in msfinder mat format, the current MS-DIAL program does not have the ms1 isotope information in the alignment result table. Therefore, the function is currently available at
Export -> Peaklist export -> Change the export format to .ms.
Then, you can obtain .ms file for all spectra for all analysis files imported.
I will upload the new version of ms-dial within next two weeks.
Thanks,
Hiroshi