Mass Spectrometry Data center
This is a utility developed and used in the NIST Mass Spectrometry Data Center to assist in the evaluation of mass spectra. It finds possible structural origins of peaks in a mass spectrum and provides formula and isotopic processing utilities. It can operate in conjunction with the NIST MS Search Program or standalone.
Version 3.1 replaces all earlier versions 2.0 under 32-bit and 64-bit Windows.
MS Interpreter was described in a poster in the meeting of the International Mass Spectrometry Society, Edinburgh, UK, 2003, “An Automated Method for Verifying Structure-Spectral Consistency Based on Ion Thermochemistry”
A Microsoft PowerPoint presentation is available here.
No documentation is available except built-in help system. Select Help/What's New from MS Interpreter menu to get a list of newly added features, or open file MSPCALC.chm
The following instructions assume that you have a earlier version of MS Interpreter installed on your PC.
An alternative to Step 5: Run newly extracted file MSPCALC.EXE as Administrator; select from its menu Options/OLE Registration/RegServer
The following instructions assume that you do not have a earlier version of MS Interpreter installed on your PC.
An alternative to Step 2: Run newly extracted file MSPCALC.EXE as Administrator; select from its menu Options/OLE Registration/RegServer
The MS Interpreter window should pop up and display the selected spectrum and (if present) the chemical structure. The Help/About box should display “MS Interpreter Version 2.0 build 5/12/2011”
|MSPCALC.EXE||- MS Interpreter executables|
|MSPCALC.chm||- MS Interpreter help files|
|MSPCALC.INI||- MS Interpreter initialization file|
|MSINTREG.BAT||- Run (as administrator) this to register the MS Interpreter|
|MSINTUNR.BAT||- Run (as administrator) this to unregister the MS Interpreter|
|COCAINE.MSP||- Sample spectrum and structure|
|MS_Interpreter_isotope_table_default.itbl||- Default isotope table|
|MS_Interpreter_isotope_table_test_01.itbl||- Custom isotope table|
|readme_MSInt.txt||- The README file with more instructions|