SOFTWARE UPGRADES FOR USE WITH THE NIST/EPA/NIH MASS SPECTRAL LIBRARY
Mass Spectrum Interpreter, Version 2
MS Search Program v.2.0 Upgrade
MS Search Program v.1.7 Upgrade
This is page is for software updates only. The NIST/EPA/NIH Mass Spectral Library is not included in any of these downloads. A copy of the NIST/EPA/NIH Mass Specral Library (NIST 08) is only available from distributors. A demo version of the NIST MS Search Software version 2.0 and AMDIS with a sample MS Library is available. AMDIS (Automated Mass Spectral Deconvolution and Identification System) can also be downloaded separately as well as NIST MS Search User Guide .
This update is for use with the current version of the NIST/EPA/NIH Mass Spectral Library (NIST 02). This software update should be used only with the software accompanying NIST 02 MS Library (do not use with the software accompanying NIST 98).
Please refer to readme_02.txt included in the zip file below for complete update instructions before performing the update.
Download NIST 02 Software Update
Mass Spectrum Interpreter Version 2
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 MS Search Program. Version 2 replaces all earlier versions. It 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" (Archive with Microsoft Powerpoint presentation). No documentation is available.
To use, unzip files in the package onto the directory containing the NIST Search Program executable (nistms.exe). A right click on a spectrum in the NIST MS Search program followed by a 'Send to MS Interpreter' will start Mass Spectrum Interpreter.
Download Mass Spectrum Interpreter Version 2
This update is for use with the current version of the NIST/EPA/NIH Mass Spectral Library (NIST 02). It will add "Other DBs" field to the NIST02 MS Library. This software update should be used only with the NIST 02 MS Library (it will not work with the NIST 98).
Download the update (file NIST02LibUpd.exe) and run it on your computer to update the library
Download NIST 02 MS Library UPDATE
MS Search Program v.2.0 UPGRADE
This upgrade installs version 2.0 of the NIST MS Search Program. This upgrade will not replace your NIST MS Search Program v 1.6 or 1.7, but it will upgrade any previously distributed version 2.0 files. Please refer to readme_v20.txt included in the zip file below for more details. This software upgrade should not be applied to the software accompanying the NIST 02 MS Library.
UPGRADE INSTRUCTIONS: Detailed instructions are included in readme_v20.txt in the zip file. Please read this document before downloading the complete zip file. For this upgrade to work properly, it is important that the MS Search Program is not open when the files are extracted.
Download MS Search Program v.2.0 Upgrade
WHAT IS NEW IN MS SEARCH PROGRAM v.2.0 (released March 2000).
32 Bit Program The NIST MS Search v2.0 is a true 32 bit application and thus requires Windows NT 4.0, 95, 98, Me or 2000.
Structure Searching The search program will now find all data based on its structural similarity. The searching can be done with either data from the NIST MS library, a user MS library or from a structure drawn in most chemical drawing packages. To enable structure search in user libraries use strdbld.exe to create and update structure indexing.
User Library Structures Present since version 1.6, but possibly new to some of the users.
Overall User Interface The user interface should be easier to use and more conformant with normal Windows conventions.
Compare Views There are a number of new ways that to visually compare two spectra.
Drag and Drop Data can be dragged and dropped between windows.
Direct interaction with a number of chemical drawing packages For details see "How to send a drawing to a structure drawing program".
MS Search Program v.1.7 UPGRADE
This upgrade converts version 1.6 of the Search program to version 1.7. This package only includes the files necessary for this upgrade. To upgrade from earlier versions (version 1.5 and earlier) please contact NIST Standard Reference Data.
UPGRADE INSTRUCTIONS: Download the zip file and extract the program files into the same folder as version 1.6 (it is usually named NIST98). Note that this procedure overwrites several file. For this to work properly, it is important that the MS Search Program is not open when the files are extracted.
Download MS Search Program v.1.7 Upgrade
WHAT IS NEW IN VERSION 1.7 (released November 1999).
Incremental Name Search in User Libraries User Libraries can now be searched with incremental names in the Incremental Name Search window. Choose the library you want to search from the Libraries drop down list box.
Full Support of Synonyms Chemical name synonyms are now included in the User Libraries. The synonyms in User Libraries are fully searchable both in the Incremental Name Search and in the Name in User Library search (full synonym name only). Older libraries (created prior to v.1.7) must first have user library names indexed by Update User Library Names in the Tools Menu.
m/z Corrections When spectral files are imported, m/z corrections can be made to transform non-integer m/z values into integer m/z values. The NIST/EPA/NIH Mass Spectral Library contains only spectra with 'normalized' integer m/z, non-integer m/z values must be rounded to integer m/z values for proper library searching. Imported m/z values can be multiplied by some factor (e.g., for correct rounding compensating for mass defects) and/ or have a constant added/subtracted (e.g., to correct for mass offsets). Since mass defect depends on elemental formula rather than molecular weight, this approximation will begin to fail at sufficiently high molecular weights (above 1000 daltons).
More Pre-Search options When searching a user spectrum the pre-search may be turned off. This can improve the match quality of spectra that have only a small degree of similarity to the submitted spectrum. Also, if the molecular weight of the target is known in advance, a MW pre-search may be chosen rather than the default option chosen in the Identity Search or Similarity Search. The MW pre-search is not a new feature, but the control has a new appearance.
Additional improvements
Download Library Conversion Software
Instrument Specific Information
Third Party Compatibility Issues
Other Information
Presentations and Publications
Last update September 19, 2002