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

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 new features of the NIST MS Search Program version 2.2g

• New NIST 14 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.