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 files. For this to work properly, it is important that the MS Search Program is not open when the files are extracted.

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

  • Faster User Libraries building
  • Faster spectral import from text files
  • Editing/importing that used to take minutes now takes just seconds with v.1.7.
  • Input spectra can contain up to 10,000 peaks. However, only the most significant 800 peaks are retained.
  • Long file names are recognized in the locator files (e.g. used with instrument data systems for automatic importing spectral data under MS Windows 95/98 or NT.
  • Software to convert JCAMP files to the NIST library format. This software for 32 bit operating systems also converts ChemStation, .MSP, and .SDF formats to the NIST library format. Synonyms and chemical structures in the original library are included in the converted NIST library format.

Support tools

You can download Library Conversion Software from here

chemdata/downloads/mssearch17ugrade.txt · Last modified: 2014/02/21 12:43

Page Tools