chemdata:interpreter

Mass Spectrum Interpreter Ver. 3

Introduction

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 presentation (PDF) from ASMS 2017 is also available for download (598.52 KiB)

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

Installation

How to replace an earlier version of the MS Interpreter

The following instructions assume that you have a earlier version of MS Interpreter installed on your PC.

  1. Make sure the MS Search and MS Interpreter are not running. Open Task Manager and look for mspcalc.exe under Processes. If you find “Mspcalc.exe” or “Mspcalc.exe *32”, right-click it and select “End Process” or, if this does not work, select “End Process Tree”.
  2. Extract file MSINTUNR.BAT from this package to the directory where the MS Interpreter executable (MSPCALC.EXE) is located.
  3. Run MSINTUNR.BAT as Administrator. This will unregister the old MS Interpreter; this process lasts 1-3 sec.; no new application window will be open.
  4. Find current Mspcalc.exe on your computer.
  5. Create there a new folder OldVer for backup reason.
  6. Move old files (qual.dll, mspcalc.ini, mspcalc.exe, mspcalc.chm, frag32.dll, ms_interpreter_isotope_table_default.itbl) to OldVer folder.
  7. Unzip new files in the folder.
  8. Run MSINTREG.BAT as Administrator. This will register the new MS Interpreter; this process lasts 1-3 sec.; no new application window will be open. Or you can run newly extracted file MSPCALC.EXE as Administrator and select from its menu Options/OLE Registration/RegServer.

How to install MS Interpreter ver. 3.1

The following instructions assume that you do not have a earlier version of MS Interpreter installed on your PC.

  1. Extract files from this package to a directory on your computer.
  2. Run MSINTREG.BAT as Administrator. This will register the new MS Interpreter. This process lasts 1-3 sec., no new application window will be open. Or you can run newly extracted file MSPCALC.EXE as Administrator; select from its menu Options/OLE Registration/RegServer.
  3. Optionally create a shortcut to MSPACALC.EXE and name it “MS Interpreter”.

How to verify that MS Interpreter is properly installed

  1. Run NIST MS Search (your current version).
  2. Open a mass spectrum in any of the MS Search windows
  3. Right-click the window and select “Send To”, “MS Interpreter” from the floating menu.

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 3.1” or later.

Link to download MS Interpreter is below. There is “Read Me” file inside the archive with installation instruction.

chemdata/interpreter.txt · Last modified: 2017/07/06 10:04 (external edit)

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