Description Usage Arguments Value See Also Examples
View source: R/oxy-db_extended.R
Takes in formula and returns isotope pattern m/z values.
1 | doIsotopes(formula, charge, count.isos = F)
|
formula |
Molecular formula |
charge |
Final charge |
count.isos |
Add columns for amounts of 2H, 13C, 15N atoms? Useful for heavy isotope experiments. |
Table with isotopes of this molecular formula
1 | doIsotopes(formula="C6H12O6", charge=0)
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