Metabolomics Society Forum

Software => MS-DIAL => Topic started by: zogukihi on July 27, 2022, 09:14:29 PM

Title: How Waters's DDA links MS1 peaks to MS/MS spectra
Post by: zogukihi on July 27, 2022, 09:14:29 PM
Dear all,

For non-targeted analysis, I perform data acquisition by DDA on Waters's Synapt XS.
After converting the obtained data to ABF or MZML, I perform analysis by MS-DIAL.
Given the principle of DDA, I would think that the MS/MS spectrum should correspond 1:1 to the MS1 peak.
However, I have confirmed several cases where the exact same MS/MS spectrum is tied to multiple MS1 peaks on MS-DIAL.

I would like to investigate the cause of the problem, whether the Waters's DDA data is special or the MS-DIAL analysis method does not match the Waters's DDA data.
If you have any knowledge, please let us know.
I think the key is how Waters's DDA links MS1 peaks to MS/MS spectra...

Best regards,
Akihiro