Hi All,
Looking around the manipulators is it correct in saying we don't currently
have a method to get correct (based on my understanding) molecular weight?
My understanding of MW is, if the isotope isn't defined (e.g. null in our
case) use the natural mass, however if it is explicitly defined then use
that exact mass. Essentially
getNautralExactMass("[13CH2]CO") > getNautralExactMass("CCO")
The two closest methods seem to be getNaturalExactMass but it will always
use the natural mass, hence
getNautralExactMass("[13CH2]CO") == getNautralExactMass("CCO")
>
Is that correct?
Cheers,
John W May
john.wilkinson...@gmail.com
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