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Introduction The Wiley Registry of Mass Spectral Data, now in its 11th edition, is the most comprehensive mass spectral library available. Applications include untargeted GCMS screening and accurate mass workflows with MS-TOF spectra. Included in the 11th edition are: Over 775,500 mass spectra Over 741,000 searchable chemical structures Over 599,700 unique compounds Improvements to the Wiley Registry include removal and sequestration of suspect spectra from the main library and partition of excess replicate spectra (beyond 4 replicates) into a separate replicate library. The result is a main library that has increased overall breadth and improved spectral search performance. Identification of unknowns begins with untargeted analysis. The Wiley Registry provides researchers with the most assurance that their untargeted spectral search is the broadest available. The Wiley Registry 11th has 56,500 and 113,500 more spectra than the 10th and 9th editions, respectively, It contains 264,968 more spectra and 229,068 more compounds that the NIST14. Key Benefits Wiley Registry ® of Mass Spectral Data, 11 th Edition Enhanced breadth and spectral search performance GC-MS screening and acurate mass workflows with MS-TOF spectra Largest mass spectral library ever commercially available Over 3X the coverage of the next largest spectral library Applications include forensics, quality assurance, environmental science and more Compound Coverage Compound coverage for individual compounds can be verified at www.compoundsearch.com Removal of duplicates into separate library to achieve fewer replicate spectra
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Wiley Registry of Mass Spectral Data, 11 th Edition · Introduction The Wiley Registry of Mass Spectral Data, now in its 11th edition, is the most comprehensive mass spectral library

Aug 22, 2018

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Page 1: Wiley Registry of Mass Spectral Data, 11 th Edition · Introduction The Wiley Registry of Mass Spectral Data, now in its 11th edition, is the most comprehensive mass spectral library

Introduction

The Wiley Registry of Mass Spectral Data, now in its 11th edition, is the most comprehensive mass

spectral library available. Applications include untargeted GCMS screening and accurate mass

workflows with MS-TOF spectra. Included in the 11th edition are:

• Over 775,500 mass spectra• Over 741,000 searchable chemical structures• Over 599,700 unique compounds

Improvements to the Wiley Registry include removal and sequestration of suspect spectra from themain library and partition of excess replicate spectra (beyond 4 replicates) into a separate replicatelibrary. The result is a main library that has increased overall breadth and improved spectral searchperformance.

Identification of unknowns begins with untargeted analysis. The Wiley Registry provides

researchers with the most assurance that their untargeted spectral search is the broadest

available. The Wiley Registry 11th has 56,500 and 113,500 more spectra than the 10th and 9th

editions, respectively, It contains 264,968 more spectra and 229,068 more compounds that the

NIST14.

Key Benefits

Wiley Registry® of Mass

Spectral Data, 11th Edition

• Enhanced breadth and spectral search performance

• GC-MS screening and acurate mass workflows with MS-TOF spectra

• Largest mass spectral library ever commercially available

• Over 3X the coverage of the next largest

spectral library

• Applications include forensics, quality assurance, environmental science and more

Compound Coverage

Compound coverage for individual compounds can be verified at www.compoundsearch.com

• Removal of duplicates into separate library to achieve fewer replicate spectra

Page 2: Wiley Registry of Mass Spectral Data, 11 th Edition · Introduction The Wiley Registry of Mass Spectral Data, now in its 11th edition, is the most comprehensive mass spectral library

Compatibility

Compatible with most current and legacy mass spectrometry data systems, including:

• Agilent (Chemstation, MassHunter)

• PerkinElmer TurboMass

• Waters MassLynx

• Shimadzu GCMS Solution

• ThermoScientific (XCalibur)

• NIST MS Search 2.2

Overlap Analysis

Wiley Registry vs. NIST 2014

• 79% of the compounds featured in the WR 11e are unique to the database and will not be found in the NIST 2014 database.

Ordering Information

Wiley Registry of Mass Spectral Data, 11th EditionCD-ROM ISBN: 978-1-119-17101-0

Wiley Registry of Mass Spectral Data, 11th Edition Upgrade

CD-ROM ISBN: 978-1-118-62775-4

What’s New

9th Edition 10th Edition 11th Edition

• year: 2009

• spectra: 662,000

• unique compounds: 592,148

• searchable structures: 565,133 • searchable structures: 684,000

• year: 2013

• spectra: 719,000

• unique compounds: 584,000

• year: 2016

• spectra: 775,500

• unique compounds: 599,700

• searchable structures: 741,000