Calculating Mass Properties using a Compound's Formula In Analyst® Software

For research use only. Not for use in diagnostic procedures.

Answer

To calculate the mass properties of a compound (e.g., average mass, exact mass, nominal mass) in Analyst® software, navigate to the Tools menu and select Calculators. Select the Mass Property tab and enter the chemical formula of the compound.



In the formula section, typing out the formula and clicking Calculate will give values for mass properties.

In order to type out heavy labeled formulas, type the isotopic mass prior to the element and followed by the quantity of the element. For instance type 13C3, 2H9, 2H2O for three heavy carbons, nine heavy hydrogens, and heavy water, respectively. In the case of heavy water, typing H2O2 will be interpreted as H2 O2, which will not give the desired mass.

Parenthesis can be used to separate parts of formula. For instance, chemical formula for butane can be entered as CH3(CH2)2CH3, which is equivalent to C4H10.