param mode options for adducts like [M+HCOOH-H]-,[2M+H]+,[M+2H+Na]3+,[M+2ACN+2H]2+,[M+IsoProp+Na+H]+,etc

MassBank / RMassBank

Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html

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param mode options for adducts like [M+HCOOH-H]-,[2M+H]+,[M+2H+Na]3+,[M+2ACN+2H]2+,[M+IsoProp+Na+H]+,etc #314

Open achimmiri opened 2 years ago

achimmiri commented 2 years ago

Hi I see the param mode has very limited adduct options. Is there a bigger mapping list that covers all possible Adducts?

{"pH", "pNa", "pM", "pNH4", "mH", "mM", "mFA"} for different ions ([M+H]+, [M+Na]+, [M]+, [M+NH4]+, [M-H]-, [M]-, [M+FA]-)}

meowcat commented 2 years ago

You can use the not at all cryptic and very well documented RMassBank:::getAdductInformation("") (sic.) (Yes we know documentation lags somewhat behind :) )