GetMoleculeMass | R Documentation |
GetMoleculeMass
parses the molecular formula and returns the
mass/charge ratio of the molecule/atom/ion.
GetMoleculeMass(molecule)
molecule |
Molecule string. |
The formula parser for the molecule string understands the (case sensitive) element labels and round and curly brackets (square brackets are reserved for isotope specification). Numbers (multipliers) have to follow either directly the element symbol or a closing bracket. Specific isoptopes are specified in square brackets with the mass number before the element label (e.g. [2H], [14C] or [235U]). Charge indicators (+, -) have to be the last characters in the formula string, multiple charges require multiple charge symbols (e.g. doubly charged calcium is Ca++ and not Ca2+ which is the correct syntax for a singly charged calcium dimer).
Mass/charge ratio.
Other Chemistry functions:
DecomposeMass2()
,
DecomposeMass()
,
GetIsotopePattern2()
,
GetIsotopePattern()
GetMoleculeMass("CO2")
GetMoleculeMass("CO2++")
GetMoleculeMass("[13C]O2+")
GetMoleculeMass("[13C][18O]2")
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.