Metabolomics Society Forum

Software => MS-DIAL => Topic started by: Carina on January 14, 2021, 03:20:33 PM

Title: MS Finder doesn't show the Structure Finder
Post by: Carina on January 14, 2021, 03:20:33 PM
Hi,

I have a problem for MS Finder to show the structures in Structure Finder. I tried starting straight from MS Dial asking to open MS Finder, and exporting MSP File and opening it separately in MS Finder. Either way, the molecular formulas appear in the Molecular Formula Finder, but when I click Search the structures, nothing happens. I tested for several mass values, and the same problem occurs.

If anyone can help me, I would appreciate it!

Thanks.
Title: Re: MS Finder doesn't show the Structure Finder
Post by: tucknuti on January 17, 2021, 10:12:06 AM
Is any of your ms2 spectra acquired? if not, you will not able to search the structure in MS FINDER.

Warm regards,
Nuti
Title: Re: MS Finder doesn't show the Structure Finder
Post by: Hiroshi Tsugawa on February 07, 2021, 08:57:55 PM
Dear Carina,

as Nuti wrote, MS-FINDER does not provide any of structure information if the MSP/MAT record does not have MS2 spectral information. If you wanna see at least the candidates of structure for your unknowns without MS2, please modify the MSP files by e.g. notepad++. You can add "Num Peaks: 1" as the num peaks field, and for MS2, you can add precursor m/z and pseudo intensity (like 100) as the dummy values for MS2.
Thanks,

Hiroshi