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Wiley Registry of Tandem Mass Spectral Data, MS for ID

ISBN: 978-1-118-03744-7
March 2012
Wiley Registry of Tandem Mass Spectral Data, MS for ID (1118037448) cover image


High Mass-Accuracy LC-MSMS Library

The Wiley Registry of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Areas covered include:

  • Illicit drugs
  • Pharmaceutical compounds
  • Pesticides
  • Other small bioorganic molecules

Each compound has been carefully measured by the Oberacher team at Institute of Legal Medicine, Innsbruck Medical University, in a series of controlled conditions to enable accurate, reliable, and reproducible search results in a variety of settings.

The Wiley Registry of Tandem Mass Spectral Data: MS for ID comes bundled with one of the most accurate search algorithms developed for LC-MSMS and is also made available in formats compatible with current LC-MSMS software systems.

It is a reliable tool for the identification of small molecules. Specificity is usually above 95%; sensitivity exceeds 92%. The library shows very good transferability to a diverse variety of tandem mass spectrometric instruments. Possible fields of applications include forensics, metabolomics, pharmaceutical research, toxicology, and environmental analysis.

Check Compound Coverage

Labs can freely verify coverage of compounds of interest at Compound Search.

1 Oral Presentation, ASMS 2011. On the Development of a Robust and Transferable Tandem Mass Spectral Library for the Identification of Small Bioorganic Molecules. Birthe Schubert and Herbert Oberacher. Institute of Legal Medicine, Innsbruck Medical University, Innsbruck, Austria.

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Author Information

Herbert Oberacher is an analytical chemist, who was born in 1976 in Innsbruck. In 2002 he received his PhD at the University of Innsbruck, Austria. After spending a year as a postdoctoral fellow at the University of the Saarland, Germany, he got a position as senior researcher at the Institute of Legal Medicine of the Medical University of Innsbruck, Austria. In 2007 he received the 'venia docendi' for bioanalysis, and in 2011 he was appointed as Associate Professor. Currently, Herbert is the head of an independent research group and the scientific leader of the 'Core Facility Metabolomics' of the Medical University of Innsbruck. His research focuses on the development of techniques for the analysis of bioorganic molecules with special emphasis on small molecules and nucleic acids and on the application of analytical chemistry in medical, biological and pharmaceutical research. For this research, he received several awards: 'Fachgruppenpreis der Fachgruppe Analytische Chemie of the German Chemical Society' (2003), 'Adolf Martens Award' (2006), 'Austrian Life Science Award' (2006), the 'Mattauch Herzog Award of the German Society for Mass Spectrometry' (2008), the 'Feigl Preis of the Austrian Society for Analytical Chemistry' (2009), and the 'Förderpreis für junge Wissenschaftler of the Society of Toxicological and Forensic Chemistry' (2011). He has (co-)authored more than 80 papers in international scientific journals and holds three patents.
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