Gas Chromatograph - Mass Spectrometer Systems
Mass Spectral Libraries
Shimadzu offers a variety of industry-standard and
application-specific mass spectral compound libraries for
enhanced identification capability. Libraries include:
NIST 11 Mass Spectral Library
This database is the product of a multiyear, comprehensive evaluation and
expansion of the world’s most widely used mass spectral reference library.
The NIST 11 library contains EI spectra for over 243,000 general compounds,
including 101,000 compounds that are not covered in the Wiley Registry®.
Features include:
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Each spectrum critically examined by experienced mass spectrometrists
Each chemical structure examined for correctness and consistency,
using both human and computer methods
Spectra of all stereoisomers intercompared
Chemical names examined by experts and IUPAC names provided
Verified CAS registry numbers
Wiley Registry® of Mass Spectral Data, 9th Edition
The Wiley Registry of Mass Spectral Data contains nearly three times the number
of compounds found in NIST 11. Nearly 78% of the compounds in the Wiley
Registry are not included in the NIST 11 MS library. The Wiley Registry includes:
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662,000 mass spectra
565,000 searchable structures
592,000 compounds
Metabolites and decomposition products
Screening compounds for combinatorial synthesis
Applications include pathology, forensics, quality assurance, border control,
research and development, commercial deformulation, food safety, food quality,
and anywhere an unknown compound must be identified or a known compound
must be confirmed.
Pesticide Mass Spectral Library
Contains mass spectra for 578 compounds measured using electron impact (EI) ionization
and 383 compounds using negative chemical ionization (NCI). Also includes linear
retention index (LRI) data to assist positive compound identification.
Metabolite Mass Spectral Library
Contains 261 El mass spectra and 50 Cl mass spectra for amino acids, fatty acids, and organic acids
related to metabolites. Analytical methods are included.
FFNSC2 (Flavor & Fragrance Natural and Synthetic Compounds)
Mass Spectral Library
A library of 3,000 natural and synthetic fragrance-related compounds which includes compound name,
CAS number, chemical formula, and mass spectra. Each compound listing also includes the Linear
Retention Index (LRI), which can be used as a criterion in library searches. All data were obtained using
the Shimadzu GCMS-QP2010 in the laboratory of Professor Luigi Mondello, at the University of
Messina, Analytical Food Chemistry Division.
Designer Drugs Mass Spectral Library
A library of nearly 13,000 compounds of illegal and designer drugs, chemical warfare agents, and
explosives.
Pfleger, Maurer, Weber Mass Spectral Library
Contains spectra for 7,800 compounds, including drugs, poisons, pesticides, environmental pollutants,
and their metabolites. It includes over 5,000 compounds that are not covered in the Wiley or the NIST
libraries.
Benzodiazepines Mass Spectral Library
Contains EI mass spectra for benzodiazepine and its derivatives and metabolites.
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For Research Use Only. Not for use in diagnostic procedures.
The contents of this publication are provided to you “as is” without warranty of any kind, and are subject to change without notice. Shimadzu does not assume any responsibility or liability for any
damage, whether direct or indirect, relating to the use of this publication.