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Wiley Registry™ and Wiley Specialty Mass Spectral Libraries

Wiley's libraries of MS spectra, MS/MS spectra, GC data & retention indices, and chemical names/structures can enhance your compound identification capabilities. Wiley libraries can be searched in the same manner, using the same search software, as the popular NIST MS database, and include formats for most MS software systems (Agilent ChemStation/MassHunter, Thermo Xcalibur, Shimadzu GCMS Solutions, Waters MassLynx, Thermo Xcalibur, PE TurboMass, etc.). Some Wiley libraries focus on specific classes of compounds like drugs, pesticides, flavors and fragrances. Other Wiley libraries like the massive Wiley Registry are general in purpose and optionally combined with NIST MS. Some libraries like the Wiley Tandem contain MS/MS spectra.

Availabile Wiley and NIST libraries include

Library Name Date EI MS spectra MS/MS spectra GC and retention index records
NIST MS '14 (recommended base library) 2014-06 276248 234284 387463
NIST GC '14 (included with NIST MS) 2014-06 387463
NIST MSMS '14 (included with NIST MS) 2014-06 234284
Wiley Registry 10th 2013-04 719000
Wiley 10th+NIST14 combined 2014-11 918000 234284 346757
Wiley Designer Drugs 2015-03 21013 (includes 554 CI) 12728
Wiley Flavors/Fragrances (FFNSC) 2011-11 3000 Yes
Wiley Drugs/Poisons/Pesticides/Pollutants & Metabolites (Maurer/Pfleger/Weber) 2011 8650 Yes
Wiley LC-MSn Library of Drugs, Poisons and Their Metabolites (Maurer/Wissenbach/Weber) 2014 >10000
Wiley FAMEs Fatty Acid Methyl Esters: Mass Spectral Database 2011-11 240 YES
Wiley Physiologically Active Substances (drugs, steroid hormones, and endocrine disruptors) 2011-05 4182
Wiley Pesticides (Rolf Kühnle) 2009 1238
Wiley Pesticides with Retention Indices (Luigi Mondello) 2011 958 958
Wiley Androgens/Estrogens/Steroids 2008 3722
Wiley Organic Compounds 2004 37055
Wiley Geochemicals/Petrochemicals/Biomarkers 2003 1100
Wiley Tandem MSMS (MSforID) 2012 Mar 12048
Mass Spectra of Pharmaceuticals and Agrochemicals 2006, by Rolf Kühnle, ISBN: 978-3-527-31615-1, has been superseded by Mass Spectra of Pesticides.
Chart lists number of spectra or data records for each library.

and search software:

Program Name Included with Purpose
NIST MS Search NIST14 and Wiley databases EI MS, structural, and some GC and MS/MS matching against libraries; browsing, PBM, structural, and PBM search of the multiple libraries
NIST AMDIS NIST14 and free GC/MS data reading, viewing, deconvolution, and target identification; integrated with NIST MS Search
NIST GC software NISTGC GC data lookup (specialized version of NIST MS Search enhanced for GC)
SmileMS SmileMS LS MS/MS datasets matching against multiple MS/MS libraries

You can use the Online Wiley Database Search to determine which Wiley MS databases contain a given compound.

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    Table of Contents of the Scientific Instrument Services general catalog volume 36.
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