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 operates in conjunction with the NIST MS Search Program.
Version 2.0 build 5/12/2011 replaces all earlier versions 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|