calculateMonoisotopicMass {BRAIN} | R Documentation

## Function computing theoretical monoisotopic masses.

### Description

Function computing the theoretical monoisotopic masses for chemical components composed of carbon, hydrogen, oxygen, nitrogen and sulfur (e.g. peptides).

### Usage

    calculateMonoisotopicMass(aC)

### Arguments

`aC` | List with fields C, H, N, O, S of integer non-negative values (if any field is ommited, then its value is set to 0).

### Details

Mass is calculated in Daltons.

### Value

Monoisotopic mass (numeric)

### Author(s)

Piotr Dittwald <piotr.dittwald@mimuw.edu.pl>

### References

[Clae] Claesen J., Dittwald P., Burzykowski T. and Valkenborg D. An efficient method to calculate the aggregated isotopic distribution and exact center-masses. JASMS, 2012, doi:10.1007/s13361-011-0326-2

### See Also

`useBRAIN`

### Examples

      aC <-  list(C=23832, H=37816, N=6528, O=7031, S=170)  # Human dynein heavy chain
      res <- calculateMonoisotopicMass(aC = aC)

[Package BRAIN version 1.30.0 Index]