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The Wiley spectral libraries are offering millions of spectra for confident compound identification across various techniques, including LCMS.

LC-HR-MS/MS Library of Drugs,
Poisons and Their Metabolites

Scripps Center for Metabolomics,
Hans H.Maurer, Markus R. Meyer, Andreas G. Helfer, Armin A. Weber

ISBN 978-3-527-34338-6
Heighten screenin gsensitivity with metabolite-based LC-HR-MS/MS Library

Developed by toxicologist Hans H. Maurer and his team, the Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites consists of 5,006 spectra, over 2,000 parent drug or poisons, and over 3,000 of their metabolites or artifacts in over 95 compound classification groups. This metabolite-based library helps minimize the risk of false negative LC-MS results.

LC-high-resolution tandem mass spectrometry (LC-HR-MS/MS) provides various advantages for screening approaches, such as higher versatility, sensitivity, and specificity. This library is the basis for metabolite-based screening procedures described for various drug classes. Data fields within the library include compound name, empirical formula, exact molecular mass, exact precursor mass, polarity, retention time, CAS number, and also category.

LC-MSn Library of Drugs, Poisons and Their Metabolites, 2nd Edition

Scripps Center for Metabolomics,
Hans H. Maurer, Dirk K. Wissenbach, Armin A. Weber

Optimize your metabolite-based LC-MSn screening and minimize false negative resultse

The Maurer/Wissenbach/Weber LC-MSn Library of Drugs, Poisons, and Their Metabolites, Second Edition provides a proven metabolite-based LCMSn screening method and MS2 and MS3 spectra of over 2,270 parent compounds and over 3,600 of their metabolites, making it one of the only LC-MSn screening libraries that focuses on metabolite spectra.

The second edition was developed for forensic and clinical research and routine labs in order to quickly and accurately confirm and identify drugs, poisons, and/or their metabolites. Detection of metabolites increases the sensitivity, detection window and selectivity, allows confirmation of the body passage, and minimizes the risk of false negative LC-MS results possibly caused by ion suppression of the target analyte. Even the risk of false positive results can be reduced considering the metabolite patterns.

LC-MSn Library of Drugs, Poisons, and Their Metabolites, Second Edition includes instrument specific training inserts covering details on:
– Sample preparation methods
– Applied chromatographic conditions
– Applied MS settings

Wiley Registry of Tandem Mass Spectral Data, MS for ID

Herbert Oberacher, March 2012
ISBN 978-1-118-03744-7

High Mass-Accuracy LC-MS/MS Library
The Wiley Registry of Tandem Mass Spectral Data: MS for ID consists of 12,048 positive and negative mode spectra of over 1,000 compounds of interestfor forensics, toxicology, and pathology. Covering areas such as illicit drugs, pharmaceutical compounds, pesticides, and other small bioorganic molecules, this database is a reliable tool for the identification of small molecules with specificity usually about 95% and sensitivity exceeding 92%. Each compound was carefully measured by the Oberacher team at the Institute of Legal Medicine, Innsbruck Medical University. A series of controlled conditions ensured accurate, reliable, and reproducible search results in a variety of settings. The library demonstrates high transferability to a variety of tandem mass spectrometric instruments. The Wiley Registry of Tandem Mass Spectral Data: MS for ID comes bundled with one of the most accurate search algorithms developed for LC-MS/MS providing fast, reproducible, and also stable search results.



AntiBase: The Natural Compound Identifier

Hartmut Laatsch, April 2017
ISBN 978-3-527-34359-1

AntiBase is a comprehensive compilation of natural products featuring properties of more than 43,700 compounds. In addition to providing researchers the convenience of checking if a compound with antimicrobial effects has already been studied, AntiBase also provide insights into biological activity correlated to structural information as well. Antimicrobial activity is a key feature in translational and precision medicine making AntiBase an indispensable tool for emerging genomic and metabolomic research.

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