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. High resolution reports data in x.xxxx digit resolution, which prints out.Low mass resolution outputs results in unit mass resolution.The user also has the option of analyzing the data in low (unit mass resolution).The mass scale desired in the graphic output.The title and subtitle that will appear on the graphical output.Molecular formula of the compound of interest according to the above parameters.The user can input the following information into the program screen: The same atomĬan be listed more than once and where no quantity is listed it is assumed Symbols, number of atoms and parenthesizes where applicable. The Formula can input using the standard one or two letter chemical The species is assumed neutral (mass of added/removed electrons and binding energy is not taken into account), which can have an affect on the high resolution methods. Sep 2009: Source heater/sensor for Agilent 5973/75, oil mist elementsĬalculation should take upwards of a few seconds depending on the.Oct 2009: Lymtech sterile wipes, Ametek/Dycor leak detector filaments.May 2011: NIST, SIMION, MS replacement parts.Mar 2012: Imtakt HPLC columns, New Era syringe pump.Apr 2012: SIS rotary vane vacuum pump and filters.May 2012: Long Life Yttria Coated Filament Repairs.Mar 2013: Bullet Blender® homogenizer, DigiVac vacuum gauge.Jun 2013: Thermal desorption on beer, ion transfer tubes & capillaries.Nov 2014: NIST 14 and Wiley 10 mass spectral libraries.Jan 2015: Save big on vacuum & MS products in 2015.Feb 2015: SIS at Pittcon 2015, TD, homogenizer.May 2015: SIS at ASMS 2015, thermal desorption poster barley, manufacturing.
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