Metabolomics Society Forum

Software => MS-DIAL => Topic started by: pennoca on June 30, 2022, 10:09:06 AM

Title: identification score cut off in lipidomics experiment
Post by: pennoca on June 30, 2022, 10:09:06 AM
Dear all,

I noticed that by lowering the score cut off I can identify more internal standards (equisplash) in my samples.

When I look at the spectrum I see that the Rev Spectrum similarity is pretty good and probably the identification problems lies on some contaminated peak at the low mass range.

In the data collection tab, it is possible to define the MS/MS mass range begin and end, however, I have a felling that this parameter is not taken in consideration for the MS/MS scoring calculation and may explain why I can detection ISTD only low (80%) score cut off.

I was wondering if MSDIAL uses the info in MS/MS mass range begin and end to ignore the contaminating ions during score calculation?

Cheers,
Carlos.