Convert NIST-MSMS into MSP format readable by MS-DIAL February 21, 2022, 02:42:34 PM we are using the MS-DIAL for processing the DDA results acquired by Shimadzu QTOF,we are facing a problem while converting the NIST-MSMS or MoNA-MSMS into *.msp to be readable by MS-DIAL,tried Lib2NIST it's converting into *.msp but the not useful by MS-DIAL, is there any method to convert those libraries ? Quote Selected
Re: Convert NIST-MSMS into MSP format readable by MS-DIAL Reply #1 – February 21, 2022, 02:52:31 PM Hi Hamza,I developed an R package for this purpose a few months ago, maybe you can give it a try. It is not perfect yet, but I think it can help you.https://github.com/QizhiSu/mspcompilerBest,Qizhi Su Quote Selected 1 Likes
Re: Convert NIST-MSMS into MSP format readable by MS-DIAL Reply #2 – March 11, 2022, 01:26:43 AM Hi Hamza, I wrote a post describing how to accomplish this. You may find it useful. https://drchrispook.com/2021/04/04/converting-nist-libraries-for-use-with-ms-dial/Chris Quote Selected 3 Likes
Re: Convert NIST-MSMS into MSP format readable by MS-DIAL Reply #3 – March 11, 2022, 03:04:13 AM This is currently also being implemented in matchms: https://github.com/matchms/matchms/issues/300 Quote Selected 2 Likes