NIST/EPA/NIH Mass Spectral Search Program (Version 2.0g)

NIST11 Online Order Options NIST 2011 License $1,495.00 NIST 2011 License Upgrade $1,095.00 Non-spectral Data Only $395.00 MS/MS Data Only $345.00 Retention Data Only $295.00 For other order options, contact: GC Image, LLC PO Box 57403 Lincoln NE 68505-7403 email: info@gcimage.com phone: +1.402.310.4503 fax: +1.402.436.2660 url: http://www.gcimage.com

The NIST MS Search Program (Version 2.0g) is included with the NIST11 package, available for sale from GC Image. The NIST MS Search Program has evolved into a power tool for not only matching spectra of unknown compounds against spectra in the EI and MS/MS Databases, but also identifying unknowns encountered in toxicology, forensic, quality control, flavor and fragrances, environmental and many other fields through their mass spectra, regardless of the type of ionization or the analyzer used to determine the abundances of ions sorted according to their m/z values. The EI Database contains much more than just the mass spectra of compounds. It contains a primary and in many cases multiple synonyms including common and trade names. It contains names of other databases where specific compounds can be found, the name of the contributor, the compounds elemental composition, its nominal and exact mass, and the compounds chemical structure. New features in NIST MS Search version 2.0g include: Ability to search the NIST/EPA/NIH Mass Spectral Database or any User Library by an accurate mass value and use the accurate mass as a search constraint. Display of the exact mass with any spectrum that has an associated chemical formula. Optional display of columns in Hit Lists containing the number of synonyms and the number of Other Databases in which the Hit appears. The Hit List can be sorted according to the values in these columns. Manage and search as many as 127 separate MS libraries instead of 16, which was the limit in previous versions. Accommodates up to 1,048,560 spectra in a single User Library instead of 786,420 spectra allowed in the previous versions. Import spectra from mzXML and mzData MS and MS/MS files. Option to turn off homolog hits in a Structure Similarity Search. Full compatibility with most recent NIST Peptide MS/MS Libraries. Ability to Sort the Spec List alphabetically. Copy selected lines from Hit List or Spec List into Windows Clipboard as tab-delimited Unicode text; this may be conveniently pasted into Excel. Toggle between Tab views (Lib. Search, Other Search, Name, Compare, Librarian, and MSMS Windows) using Crtl-Tab or Ctrl-Shift-Tab. When a Tag from the Comment is displayed separately its display in the Comment is suppressed. Search for a string in a Text Information window by a Right-Mouse-button Menu Option. Spectra in the MSP text format can be imported from the Windows Clipboard into the Spec List via a Right-Mouse-button Menu option. Default view of Constraints and Other Searches dialog boxes changed to provide more convenience to the users. An alternative peak matching method has been added to improve the reliability of the score when searching noisy MS/MS spectra. The MS Interpreter program now enables high mass accuracy for both molecular ions and product ions.