From MS-FINDER to MS-DIAL

July 16, 2023, 02:05:10 AM

Hi all, I'm new to the forum and this may be a basic question. When I search for a peak on MS-FINDER, I want to assign the resulting molecule in MS-DIAL. Is it something doable? If yes, how?
Thank you in advance.

Re: From MS-FINDER to MS-DIAL

Reply #1 – July 22, 2023, 12:29:50 AM

I dont think that's possible. If you're opening individual features in MS-FINDER that's not really efficient. You need to export all of your features from MS-DIAL to .mat files and then work with the whole list in MS-FINDER. You can then reflect your MS-FINDER results back to the .mat files via the "Tool" menu.

To export to .mat files click on the "Show ion table" button from the main window. WHen it opens click the export to MS-FINDER button and then set some filters in the "settings" option which appears at bottom right. If you have a list of features you want to investigate that range in abundance, RT and mz then you probably want to export the whole data set and use a scripting program to copy the relevant files to a new folder for processing. If you're doing pure discovery work and you're interested in the most abundant features then you can set a threshold and the blank filter to export the top "n" most abundant features to a folder. MS-FINDER can then open all features in that folder and run batch formula and structure searching.