Skip to contents

calculateMass calculates the exact mass from a formula.

Usage

calculateMass(x)

Arguments

x

character representing chemical formula(s) or a list of numeric with element counts such as returned by countElements().

Value

numeric Resulting exact mass.

Author

Michael Witting

Examples


calculateMass("C6H12O6")
#>  C6H12O6 
#> 180.0634 
calculateMass("NH3")
#>      NH3 
#> 17.02655 
calculateMass(c("C6H12O6", "NH3"))
#>   C6H12O6       NH3 
#> 180.06339  17.02655 
calculateMass(c("C6H12O6", "[13C3]C3H12O6"))
#>       C6H12O6 [13C3]C3H12O6 
#>      180.0634      183.0735