MassCalc makes your spectrometric calculations easy. Enter the chemical formula and calculate the molecular weight and the monoisotopic mass of the molecule. In addition to that it also calculates mass / charge ratio as detected by a mass spectrometric instrument. In particular MassCalc supports ES MS analyses in positive and in negative mode.
- Calculate the molecular weight and the monoisotopic mass of a given chemical formula.
- Give a name to chemical formulae then retrieve the formulae by directly entering its name in the 'Chemical Formula' field.
- Calculate the M/Z ratio you will see as peak in a mass spectrometric analysis.
- Support negative and positive mode. MS calculation of neutral, positively and negatively charge molecules by varying Z!
- Enter the neutral molecular formulae (spectrometric instruments can only detect charged species) and add cations or a protons and see that your new calculations, including the mass of the cation, matching the experimental value. For negatively charged species increase Z!
- Support dimers and higher aggregates that you sometimes find experimentally. The multiplier button works together with the charge (Z) and the cations buttons so that the calculated values always match the experimental ones.
- MassCalc supports 109 atom labels from H to Mt and other labels like are D (for deuterium), T (for tritium), Me, Ph, Et, Bu, Bn, Tr, TBS, TMS, MOM, BOC, Boc, Fmoc and other commonly used abbreviations.
- Features a User Guide for quick reference.
***New background colour***
***Enhanced calculator engine***
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- Last changed:
- Jan 25, 2013
- Lewis Dots
- 1.6 MB
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