>>I am really interested in converting the main library which contains the EI GC-MS data. For this, unfortunately, there is no way to convert mainlib to msp. NIST protects this actually. When I was a master course student (8 years ago), Wiley 10, another very big EI-MS library provider could be converted to msp by lib2nist.
Hiroshi
Thanks Hiroshi for your reply. I have some updates. I manged to export 20000 compound from NIST into .msp format and then I used R package called "webchem" to retrieve their retention indices and till now it is working. Kind Regards Ahmed
Hi all, Thanks for all suggestions. Unfortunately none of them worked for me. However, I made the library from NIST work in MS DIAL. I simply change extension of the file from .MSP [all caps] to .msp [all lowercase]. Thanks again, Stay safe, Sergei
Is it the main library (EI-GC-MS) sergi or the MS/MS ?
Thank you for your comments and contributions in the field. I tried your suggestions and it worked well for converting my NIST 08 MS/MS library into MSP using LIB2NIST. But I am really interested in converting the main library which contains the EI GC-MS data. Unfortunately, I did not find any file for the mainlib to be converted. Also, I tried to export a selected spectrum from the ms search as Biswapriya suggested but it did not contain the retention index data and I think this approach can not be implemented for the whole library (batch export). Any ideas or tips to integrate the NIST GC-MS library (compiled EI-spectra with their retention indices) with MS-DIAL. Thanks a lot for your help.
Ahmed Serag, PhD Assistant Professor Department of Analytical Chemistry Al-Azhar University School of Pharmacy