Re: Extract metabolite information
Reply #2 –
Ricca,
Just quickly before I go home
You might want to check out the CAMERA package from Steffen Neumanns group, also hosted on bioconductor. The package finds correlated peaks and tries to match these to know mass differences, including MH+. Generally speaking, if you see the [M+Na]+ I would expect to see the MH+ ion as well. It'll also give me a lot more confidence that this ion is a [M+Na]+ ion rather than just another MH+ or other adduct of some other compound.
Hope it helps,
Paul