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!
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!
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