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Topic: Unselected adduct appears in MS-DIAL peak table (Read 275 times) previous topic - next topic

Unselected adduct appears in MS-DIAL peak table

Greetings:

I selected only [M+H]+ for MS-DIAL data processing, but the produced table also contains other adducts such as [M+2H]2+, etc. I will very much appreciate it if anyone can help explain it.

Thanks!

Re: Unselected adduct appears in MS-DIAL peak table

Reply #1
Because the double charge is recognized in the isotope tracking function independently, it will be generated in the result tables even though you only select [M+H]+ in the adduct type setting.

Hiroshi

Re: Unselected adduct appears in MS-DIAL peak table

Reply #2
Because the double charge is recognized in the isotope tracking function independently, it will be generated in the result tables even though you only select [M+H]+ in the adduct type setting.

Hiroshi

Thank you for your reply! It is very helpful! So if my adduct list doesn't contain [M+2H]2+, do I still need to remove all peaks with [M+2H]2+ from the list after getting the output from MS-DIAL? I am not very good at chemistry so I am not sure if only using [M+H]+ will also produce peaks with [M+2H]2+ automatically. Thanks!

Re: Unselected adduct appears in MS-DIAL peak table

Reply #3
Hi Xinsong,

maybe, there are several opinions to handle the multiple ions from one metabolite.
ESI will generate >10 ions (including isotopes) from one chemical actually. Therefore, some of software programs will "integrate" these ion's peak area/height. However, I do not like this because there is a possibility that not all of ions from the metabolite is grasped by the data processing step. Therefore, I am using the highest/robust/reliable adduct type to quantify a metabolite in the scan mode analysis. For instance, in your case, I will remove [M+2H]2+ for further analysis.
Thanks,

Hiroshi



Re: Unselected adduct appears in MS-DIAL peak table

Reply #4
Hi Xinsong,

maybe, there are several opinions to handle the multiple ions from one metabolite.
ESI will generate >10 ions (including isotopes) from one chemical actually. Therefore, some of software programs will "integrate" these ion's peak area/height. However, I do not like this because there is a possibility that not all of ions from the metabolite is grasped by the data processing step. Therefore, I am using the highest/robust/reliable adduct type to quantify a metabolite in the scan mode analysis. For instance, in your case, I will remove [M+2H]2+ for further analysis.
Thanks,

Hiroshi




Hi Dr. Tsugawa:

Many thanks! Your answer is very helpful!

Xinsong