Analytical laboratories face increasingly diverse demands – ranging from identification of general unknowns to single ion monitoring. One of the most demanding tasks is general unknown identification and deformulation from a variety of sources, including in vivo. Single ion monitoring or even specialized library searches leaves out some or all of the compounds present.
The Wiley Registry/NIST is consistently the single most important tool for the identification of global unknowns available to the modern laboratory. Its breadth and scope ensures the highest likelihood of identifying global unknown compounds. Containing the complete de-duplicated Wiley Registry 10th Edition and the latest update of the complete NIST EI and MSMS libraries, and the latest NIST software, the Wiley/NIST contains the most up-to-date software and spectra available. The Wiley Registry 10th Edition/NIST 2012 EI library contains over 870,000 mass spectra collected by Dr. Fred McLafferty, the NIST Mass Spectrometry Data Center, and Wiley Digital Research Group. Â
The Wiley/NIST upgrade is available for researchers who have purchased previous editions of the Wiley and NIST or the combined Wiley/NIST spectral libraries. This new edition contains an estimated 736,000 unique compounds, making it the most comprehensive combined mass spectral library ever offered. Replicate spectra ensure a higher rate of matching, and an estimated 850,000 searchable chemical structures, over 870,000 chemical formulas and exact masses, and over 3 million chemical names and synonyms ensure that the Wiley Registry 10th Edition/NIST 2012 can aid in classical EI, exact mass, and other methods of identification.
This package contains the recently improved NIST MS Search sofftware, including significant improvements in LC-MSMS search as well as expanded compound coverage in the LC-MSMS library. The NIST classical EI spectra are from the 2011 release of the NIST 2011 and have not been updated.
Compound coverage verification for this and other spectral and chemical databases is freely available at Compound Search
Package Contains:
- Complete Wiley 10th/NIST 2011 EI Mass Spectral Library (GCMS)
- December 2012 NIST LC-MSMS Libraries (LC-MSMS)
- December 2012 NIST MS Search 2.0g software (GCMS, LC-MSMS)
- AMDIS
The DVD contains the Wiley/NIST library in the following formats: ACD/Labs, Agilent Chemstation/Masshunter, NIST MS Search (compatible with most mass spectrometry systems, including Agilent, Bruker/Varian, DANI, Leco, PerkinElmer, Thermo, Waters), Shimadzu GCMS Solution, PerkinElmer Turbomass, Waters Masslynx