Mass Spectral Libraries. Pesticide Mass Spectral Library. Contains mass spectra
for 578 compounds measured using electron impact (EI) ionization and 383 ...
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:
• • • • •
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:
• • • • •
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.
SHIMADZU CORPORATION, International Marketing Division 3. Kanda-Nishikicho 1-chome, Chiyoda-ku, Tokyo 101-8448, Japan Phone: 81(3)3219-5641, Fax: 81(3)3219-5710
URL: www.shimadzu.com SHIMADZU SCIENTIFIC INSTRUMENTS 7102 Riverwood Drive, Columbia, Maryland 21046, U.S.A. Phone: 800-477-1227/410-381-1227, Fax: 410-381-1222
URL: www.ssi.shimadzu.com Webstore URL: store.shimadzu.com Company names, product/service names and logos used in this publication are trademarks and trade names of Shimadzu Corporation and its affiliates, whether or not they are used with trademark symbol “TM” or “ R “. Third-party trademarks and trade names may be used in this publication to refer to either the entities or their products/services. Shimadzu disclaims any proprietary interest in trademarks and trade names other than its own. 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.
