There are various software tools online which can also be used. Your structure-drawing software may be able to calculate exact mass for you. For elements having more than one significant isotope, or larger numbers of an element having a not-so-significant isotope (e.g., carbon) the difference will be greater. Take, for example, the case of theobromine (molecular weight 180.17): Structureįor small molecules, the difference between molecular weight and exact mass is slight in the absence of elements having more than one significant isotope. (Please note the difference between isotopic mass and atomic weight!)įor the most common elements found in organic molecules (C, H, N, O) this is a rather straightforward exercise with easily applied results. In brief, it is calculated by adding the exact masses of the most abundant isotopes of the constituent elements. The exact mass of a molecule is also called the monoisotopic mass.
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