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Wiley GC-MS Libraries

Wiley Registry of Mass Spectral Data, 12th Edition
Wiley, March 2020
ISBN: 978-1-119-17102-7

Confident compound identification with the most comprehensive GC-MS library

The field-tested Wiley Registry® of Mass Spectral Data, 12th Edition is the largest mass spectral library commercially available, providing over double the compound coverage of our competitors. Applications include untargeted GC-MS screening and accurate mass workflows with MS-TOF instruments.

Experience improved spectral search performance with the 12th Edition. The latest version was extensively validated to sequester and remove suspect spectra from the main library. The new edition also introduces the inclusion of chemical classifications, calculated Kovats retention indices, and splash IDs.

The Wiley Registry of Mass Spectral Data, 12th Edition provides researchers the most assurance that their untargeted spectral search is the broadest available. Expansion on the new edition brings an additional 41,450 spectra into the library.

 

Mass Spectral and GC Data of Drugs, Poisons, Pesticides, Pollutants, and Their Metabolites, 5th Edition
Hans H. Maurer, Karl Pfleger, Armin A. Weber, December 2016
ISBN: 978-3-527-34327-0

Elevate GC-MS metabolite analysis with a trusted name in toxicology screening

Developed by renowned toxicologist Hans H. Maurer and his team, the Mass Spectral Library of Drugs, Poisons, Pesticides Pollutants, and Their Metabolites, 5th edition sees the addition of 1,780 carefully evaluated data sets, bringing the total to 10,430 mass spectra and GC retention indices. Featured compounds from 175 categories include psychoactive substances, almost all relevant therapeutic drugs, and 7,800 of their metabolites. Available in the most common instrumentation manufacturer formats, this spectral library is a necessity for any research laboratory. The mass spectral library is accompanied by hard bound set of books that provide extensive notes on preparation, methods, and validated approaches for analysis.

Contents of book set are as follows:
- Volume 1: Methods and Tables
- Volume 2: Spectra, Explanatory Notes, Abbreviations, Compounds

Mass Spectra of Designer Drugs 2018
Peter Rösner, February 2017
ISBN 978-3-527-34527-4

Developed to help combat the global opioid health epidemic

Mass Spectra of Designer Drugs is the largest collection of chemical signatures of NPS and drugs of abuse in the world. This impressive mass spectral library was developed to support forensics and toxicology labs to combat this global health epidemic.
The 2018 edition features the addition of over 1,300 new mass spectra and over 700 new, unique compounds in over 30 different classification groups such as, 415 fentanyles, 1,042 synthetic cannabinoids, and 344 opiates.
With an average quality index per spectrum of 949.4 and 17,114 kovats retention indices this spectral library provides comprehensive data on the most up-to-date list of novel psychoactive substances.

 

Mass Spectra of Geochemicals, Petrochemicals and Biomarkers (SpecData)
Wolfgang Robien, February 2014
ISBN 978-3-527-33858-0

Optimize oil exploration and positively identify compounds with reliable biomarkers

Mass Spectra of Geochemicals, Petrochemicals and Biomarkers (SpecData) is a high-quality database for organic, geo, and/or petrochemist featuring 1,093 mass spectra of well-defined compounds. Chemical structures elucidated, if necessary, by a variety of techniques including NMR spectroscopy and single-crystal x-ray structure analysis. The spectra were collected during an extensive project on the occurrence of resistant biomacromolecules and lipids in sedimentary organic matter and mechanisms of fossil fuel generation, as well as the chemistry of organic sulphur in the geosphere. The spectra have been measured by J. W. de Leeuw's group in the Department of Marine Biogeochemistry at the Netherlands Institute of Sea Research (NIOZ). The substances have been carefully isolated and purified. Substance classes include saturated and unsaturated aromatic hydrocarbons, aromatic and non-aromatic sulphur and oxygen compounds, terpenes, and steroids and their degradation products.

  

 

Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds, 3rd Edition
Luigi Mondello, October 2015
ISBN 978-1-119-06984-3

Advanced identification of natural and synthetic products using retention data

Flavors and Fragrances of Natural and Synthetic Compounds, 3rd Edition contains over 3,000 mass spectra, LRI retention data, calculated Kovats RI, and searchable chemical structures of compounds of interest for the flavors and fragrances industry. This innovative mass spectral library for natural and synthetic products makes the identification of unknown compounds in complex mixtures easier, faster, and more reliable.

Chromatographic information, such as Linear Retention Index (LRI) data, can be used to filter MS results, enabling more reliable peak assignment of components in complex mixtures. Mass spectra, relative to standard and well-known simple matrix components, were obtained and recorded through GC-MS separation/identification by Prof. Luigi Mondello. Additional component information such as CAS number, common name, CAS name, molecular weight, and chemical class are also included.

 

Mass Spectra of Pesticides with Retention Indices, 2nd Edition
Luigi Mondello, July 2016
ISBN 978-1-119-28404-8

Reliable pesticide determination with expanded new edition

The Mass Spectra of Pesticides with Retention Indices, 2nd Edition contains 1,300 pesticide molecules sorted in 20 different classes. This 2nd edition features342 new pesticides compounds, 1,300 LRI values on a SLB-5ms column, and 147 LRI values on an EQUITY-1 column. The GC-MS-based pesticides library provides significant support for peak assignment in complex mixtures. Mass spectra, relative to standard and well-known simple matrix components, were obtained and recorded through GC-qMS separation/identification by Prof. Luigi Mondello. Additional component information such as CAS number, common name, systematic name, nominal mass (as Mol Wt.), compound formula, chemical class, and Linear Retention Index are also included.

 

LIPIDS Mass Spectral Database
Luigi Mondello,
July 2016
ISBN 978-1-119-28938-8

Extensively validated to ensure positive lipid identification

The Lipids Mass Spectral Database contains 430 GC mass spectra registered from a pure standard and categorized into 11 classes of lipids. The database provides significant support for peak assignment in complex mixtures, making it a valuable tool in many research areas such as food analysis and clinical and medical applications. Over 1,400 Linear Retention Index (LRI) values for the 430 lipid-like molecules, experimentally calculated for each standard under repeatable chromatographic conditions and using three different stationary phases, namely SLB-5ms, Equity-1, and Supelcowax-10 (Supelco). LRI were also calculated using different reference mixtures, namely alkanes, fatty acid methyl esters (FAMEs), and fatty acid ethyl esters (FAEEs). Additional component information such as CAS number, common name, systematic name, nominal mass (as Mol Wt.), compound formula, chemical class, and suppliers of the standards are also included.

 

FAMES: Fatty Acid Methyl Ester Mass Spectral Library
Luigi Mondello,
July 2016
ISBN 978-1-119-28938-8

Improve your food safety and security analysis with reliable compound identification

The FAMEs Fatty Acid Methyl Esters: Mass Spectral Database contains over 240 spectra and structures of fatty acid methyl esters, including their Linear Retention Index and calculated Kovats Retention Index registered using an alkane mixture on an apolar column and using also a FAMEs and FAEEs (fatty acid ethyl esters) mixture on a polar column. The addition of the retention index data enables more reliable compound matching and identification of unknowns. While other methods such as LC-MS/MS can be used, when using such a highly selective method, technicians can only detect what they are looking for, while when performing broader TIC screening using GC/MS, no information is lost. Applications include building FAMEs profiles of target bacteria (e.g. pseudomonas aeruginosa) contain:
- Each record contains the mass spectrum, searchable structure, chemical information, and LRI retention data.
- Records indexed by name, molecular weight, and retention time
- Highly controlled: Measured on a single instrument in controlled conditions
- Quality samples sourced from leading suppliers and manufacturers

 

Mass Spectra of Volatiles in Food, 2nd Edition
Central Institute of Nutrition and Food Research, December 2003
ISBN 978-0-471-64825-3

Extensive volatile compounds database for food analysis

The Mass Spectra of Volatile Compounds in Food collection includes 1,620 reference mass spectra and covers the whole range of volatile compounds in food. Created by the Central Institute of Nutrition and Food Research, the database also features derivatives of non-volatile compounds, such as sugars or polyhydroxyphenols.

Apart from the large number of natural, nature-identical, and artificial flavors and aromas, there are food additives and solvents, pesticides and veterinary pharmaceutical compounds, which are frequently found as residues. Frequently present compounds include alcohols, ethers, aldehydes, ketones, acetals, ketals, acids and esters. Additional component information such as chemical structure, chemical name, molecular formula, nominal mass (as Mol Wt.), and base peak are also included.

 

Mass Spectra of Pesticides 2009
Rolf Kühnle,
January 2009
ISBN 978-3-527-32488-0

Indispensable GC-MS tool in identifying pesticides

Developed by Rolf Kühnle, the Mass Spectra of Pesticides 2009 includes 1,007 high-quality mass spectra of pesticides such as insecticides, acaroids, nematicides, fungicides, rodenticides, and over 900 unique compounds. The mass spectra are unreduced and experimental conditions present in the data record include chemical structure, CAS RN, synonym and systematic name, molecular weight, and molecular formula.

 

Mass Spectra of Physiologically Active Substances: Including Drugs, Steroid Hormones, and Endocrine Disruptors 2011
Maria Kristina Parr, Georg Opfermann, Wilhelm Schanzer,
Hugh L. J. Makin, March 2011
ISBN: 978-3-527-32727-0

Invaluable reference library for doping control, endocrinology, and clinical toxicology

In collaboration with the Institute of Biochemistry and German Sport University of Cologne, the Mass Spectra of Physiologically Active Substances features 4,182 mass spectra and chemical structures of androgens and estrogens, as well as their trimethylsilyl-, O-methoxyoxime-, and acetal derivatives and beta-2-agonists. This fast and reliable spectral library helps researchers overcome the analytical challenge for identification of steroids in body fluids. Most spectra have been obtained on the same mass spectrometer under identical conditions. The data records include chemical name, chemical structure, molecular formula, and synonyms.