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"Dollar for dollar, this is the most complete and useful library and search program available."

Main Library

 306,000 EI Spectra
MS/MS Library  652,000 Tandem MS/MS Spectra
Retention Index Library  404,045  RI values for 99,400 compounds

Evaluation and Quality Control

Each spectrum critically examined by experienced mass spectrometrists.

Each chemical structure examined for correctness and consistency, using both human and computer methods.

Spectra of all stereoisomers intercompared.

Chemical names examined by experts and IUPAC names provided.

Thousands of replacements of spectra with higher quality spectra.

Verified CAS registry numbers.


Main features of the NIST MS Search Program version 2.3

  • Newest  NIST  EI MS and  MS/MS Library. Spectra include metabolites, peptides (biologically active peptides and all di-peptides and tryptic tri-peptides), contaminants, lipids and more.

  • Using Retention Index in library searching: RI deviation of a hit from the search spectrum are used to penalize the Match Factor.

  • Indexing older user libraries to use saved in them RI values for library searching

  • Displaying relevant RI values in the hit list

  • New definitions of derivatives are used for finding replicate spectra

  • Displaying derivative precursor in the Lib. Search hit list

  • Displaying additional MS/MS information in hit lists

  • Search for exact precursor mass in mass spectral libraries.


System Requirements: PC with Microsoft® Windows NT® 4.0, Windows® 2000, Windows® XP, Windows Vista®,or Windows® 7,8,8.1; hard disk with 1.5GB of available space required.