findMz.formula {RMassBank} | R Documentation |
Find the exact mass +/- a given margin for a given formula or its ions and adducts.
findMz.formula(formula, mode = "pH", ppm = 10, deltaMz = 0)
formula |
The molecular formula in text or list format (see |
mode |
|
ppm |
The ppm margin to add/subtract |
deltaMz |
The absolute mass to add/subtract. Cumulative with |
A list(mzMin=, mzCenter=, mzMax=)
with the masses.
Michael A. Stravs, Eawag <michael.stravs@eawag.ch>
findMz.formula("C6H6")