Print Page - Convert NIST-MSMS into MSP format readable by MS-DIAL

Title: Convert NIST-MSMS into MSP format readable by MS-DIAL
Post by: hamza on 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 ?

Title: Re: Convert NIST-MSMS into MSP format readable by MS-DIAL
Post by: QizhiSu on 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/mspcompiler

Best,
Qizhi Su

Title: Re: Convert NIST-MSMS into MSP format readable by MS-DIAL
Post by: drchrispook on 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

Title: Re: Convert NIST-MSMS into MSP format readable by MS-DIAL
Post by: hechth on March 11, 2022, 03:04:13 AM

This is currently also being implemented in matchms: https://github.com/matchms/matchms/issues/300

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Software => MS-DIAL => Topic started by: hamza on February 21, 2022, 02:42:34 PM