The molecular weights and isotopic distributions of the molecular formula This program consists of several modules to calculate Isotope distributions can also be calculated using the IsotopesĬalculator in the MS Interpreter tool in the NIST Mass Spectral Database. Spectrum Capture utility that can automatically digitize a scanned spectrum and import it for use within MSC.Elemental Formula utility calculates the possible compositions of an ion given its mass.Enhanced Isotopic Profile utility based on a completely new algorithm that calculates isotopic mass distributions for a structure.Molecular drawing, fragmentation, and auto-fragmentation.You are not as limited to the size of compounds that may be calculated. This program has been produced by Scientific Instrument Services forĪ standalone Windows application. Responsible for any errors which may result from the use of this program. All rights reserved.īe reproduced on another site without the consent of Scientific Instrument © 1996-2016 Scientific Instrument Services. Time for analysisĬan very from 10 seconds to a minute or more for large molecules. The calculations can become quite long with large molecules. Of your formula is dependent on the size of your molecule and the number ![]() The time for the analysis and calculation Your data, performs the calculations and then returns the data back to The calculations are performed on our compute server. The accuracy of the relative intensities isĮstimated to be within 1% of the actual value. Program is based on the binomial theorem for the calculation of the isotopic distributions Presentation of the calculated masses and their relative occurrences. It then produces a screen with the numeric data and a graphical The program calculates the exact molecular formula and molecular weightsĪnd the isotopic distributions of the molecules.
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