Wiley Registry/NIST Mass
Spectral Library 2023
From the Leader in Spectral Data

Comprehensive compound
coverage for confident results
Experience the combined power of two essential
libraries for mass spectral analysis
The Wiley Registry/NIST Mass Spectral Library 2023 is the mostcomprehensive combined mass spectral library commerciallyavailable, with over 3 million spectra (including EI and tandem MSdata) making it the clear choice for general unknown compound
identification. Broad, up-to-date compound coverage ensures
identification across multiple use cases and a wide variety ofanalytes.
•Broad range of compounds for targeted and non-targeted
analyses—increase both the speed and likelihood of
identification with a comprehensive dataset.

•Spectral records contain additional information that’s
searchable such as physical properties, structures, and otherfields to help narrow your results even further.

•Data is carefully curated and reviewed by Wiley’s internaland external experts to ensure it meets quality standards forresults you can rely on.

•Spectra are segmented into separate libraries includingexcess replicate spectra to enable robust searching acrossvaried laboratory settings.

•Take the guesswork out of compatibility. Available in themost common manufacturer formats to work the way you do.

•Includes the NIST 2023 Software (MS Search, AMDIS, MSInterpreter) to keep your lab up to date with the latest tools.

Increase the speed
and likelihood of MS
identification withexpanded coveragein the latest releaseof this trustedresource.

•Expansive chemical structure coverage enables focusing searches basedon cheminformatic features in addition to spectrometry features.
Replicate spectra and over 4 million chemical names and synonyms can help toprovide a higher rate of correct identification and ensure that this library can aid
in classical EI, exact mass, and other methods of identification.

A foundational tool for any laboratory engaged in MS analysis, this spectral libraryremains a lab standard consistently evolving to meet the ever-growing researchdemands of today in Wiley’s continued commitment to delivering relevant, quality
data resources.
Available in the most common instrumentation manufacturer formats, this spectral libraryis a necessity for any laboratory engaged in MS analysis.

LIBRARY SPECIFICATIONS
Data TypeGC-MS

MS-MS

Wiley Registry/ NIST 2023*

NIST MS-MS 2023

Spectra1,180,800

2.3M+

Structures

1,148,600

1.4M+

Unique Compounds

950,200

51,500—399,200

Ions*Wiley Registry/NIST EI database counts = Wiley Registry and NIST, minus any overlap.

WHAT’S NEW IN THIS RELEASE
Be sure your lab is up to date with the latest release of this evolving collection.
Take advantage of all the benefits in the 2023 release of this combined
powerful database:•Addition of over 74,000 unique compounds and over 91,900 spectra.

•Now also available as a KnowItAll subscription for continued access to new data
added to the Wiley Registry between major releases.

Wiley Registry of Mass Spectral Data - New Features:•

Expanded coverage of world patents and peer reviewed literature, including DOIsof source articles.

•Spectra have been assigned a quality index where possible, enabling searches tobe tuned to exclude spectra below a quality index threshold.

NIST/EPA/NIH - New Features:•AI-RI values have been added for all EI data.

•The MS/MS Library has added 60% more compounds than the 2020 release, nowcovering over 51,000 compounds and over 399,000 precursor ions.

APPLICATIONSThis collection oﬀers exceptional reliability as a comprehensive resource for theanalysis, identification, classification, and verification of compounds by mass
spectrometry in a wide range of applications such as environmental, forensics/toxicology, metabolomics, pharmaceutical, biotech, food/cosmetics, defense/
homeland security, and many more.

COMPOUND COVERAGE
Unique EI Spectra Comparison - Wiley Registry vs NIST

ADDITIONAL INFORMATION
When it comes to spectral analysis, the more data you have the better. Wiley spectraldatabases provide much more information than simply the spectrum to give you afuller picture of your results. Database records may include valuable details whenavailable for a record such as:
••
•
•
•

Chemical Structure
Chemical Name
Exact Mass
Calculated Kovats RI values
Splash IDs

•
•
•
•
•

Formula
InChI/InChIKey
Molecular WeightExperimental RI Values
AI RI Values

And because it’s searchable, you can use this information to narrow your results
even further.

ABOUT THE AUTHORS
Wiley Registry of Mass Spectral Data
Originating through a collaboration by Drs. Einar August Stenhagen, Fred McLaﬀerty,
and Sixten Abrahamsson, the Wiley Registry pioneered the use of spectral data inmass spectrometry.
•Sixten Abrahamsson, a member of the Royal Swedish Academy of Sciences, was an
x-ray crystallographer whose group studied structure and function of biologically active
molecules.
Fred McLaﬀerty, a member of the National Academy of Sciences, was a leading light inmass spectrometry, known for top-down analysis and the McLaﬀerty rearrangement.
Einar Stenhagen, a member of the Royal Swedish Academy of Sciences, invented, with hiswife, Stina Ställberg-Stenhagen, the jet separator, enabling the combination of gas andliquid chromatography with mass spectrometry.

••Since 2009, the Wiley Registry has been maintained and updated by the Wiley
Science Solutions data team.
NIST/EPA/NIH Mass Spectral Library
The NIST/EPA/NIH Mass Spectral Library 2023, developed by the experienced
mass spectrometry team at the National Institute of Standards and Technology(NIST). For over 50 years, NIST has developed and distributed standard reference
data in chemistry, engineering, fluids and condensed phases, material sciences,mathematical and computer sciences and physics.
The Wiley Registry/NIST combined library is produced by the Wiley Science Solutions
data team.

STAY ON TOP OF THE LATEST DATA WITH OUR NEW
SUBSCRIPTION OPTIONS
Be sure to ask us about us about our KnowItAll - Wiley MS Identification Pro + NISTbundles.
•No need to wait until the next release for new Wiley Registry data! Get
access to spectral data as it’s added to the Wiley Registry between releases.
• By adding a subscription to the KnowItAll software, you will also haveaccess to one of the most powerful tools for automated non-targeted GCMS analysis (deconvolution + library search), MS Adaptive Search for novelcompounds, and more.

Product Version & Comparison Chart
Data TypeWR23(2023)

WR Subscription

WR12(2020)

WR11(2017)

NIST23*(EI Spectra)

NIST20*
NIST17*(EI Spectra) (EI Spectra)

Mass Spectra

873,300

895,700

817,200

775,800

394,000

350,000

306,600

1,180,00

Searchable
Structures

841,100

863,500

785,000

741,200

347,100

350,000

306,600

1,148,600

UniqueCompounds

741,000

759,100

668,400

632,500

341,600

306,000

262,100

950,200* Note: Table above does not include MS-MS data counts from NIST and WR/NIST libraries.
Wiley Registry/NIST EI database counts = Wiley Registry and NIST, minus any overlap.

WR23/NIST23*(EI Spectra)

WR = Wiley Registry

Unique EI Spectra Comparison - Wiley Registry vs NISTCOMPATIBILITY
Compatible with most current and legacy mass spectrometry data systems. For fullcompatibility information please visit sciencesolutions.wiley.com/compatibility

ORDERING INFORMATION
Wiley Registry/NIST Mass Spectral Library 2023
• USB: 9781394197972• DOWNLOAD: 978EALDB05741
Wiley Registry/NIST Mass Spectral Library 2023 Upgrade• USB: 9781394197989• DOWNLOAD: 978EALDB05758
Be sure to ask about our MS Identification Pro Packages for acess to even more spectraand tools—plus access to new Wiley Registry data as it’s added in between releases.

TRUSTED DATA FROM A TRUSTED SOURCE
Wiley is the authoritative source for spectral data. Our renowned databases
are processed according to rigorous protocols to ensure they are of the highest
quality. Qualification procedures start at data acquisition and continue throughout
the database development process. Any data acquired from trusted partners isthoroughly vetted before inclusion in our collections.

www.sciencesolutions.wiley.com
Quality Data. Results You Can Rely On.

REV-2024.06.04