The manuscript “Evaluation of the Performance of a Tandem Mass Spectral Library with Mass Spectral Data Extracted from Literature.” (P. Würtinger, H. Oberacher) has been published in Drug Testing and Analysis.
[Read More]“The Wiley Registry of Tandem Mass Spectral Data, MSforID” is a database of tandem mass spectra allowing the identification of small molecules.
Due to the combination of a unique search algorithm and an advanced database structure, “The Wiley Registry of Tandem Mass Spectral Data, MSforID” allows sensitive and specific identification of small molecules
A unique feature of the database represents its robustness. Reliable compound identification is enabled with fragment ion mass spectral data from almost all kind of mass spectromtric instrumentation.
Library entries were generated on a high-resolution instrument with electrospray ionization in positive and negative ion mode.
Library entries are also listed on the U.S. Environmental Protection Agency’s (EPA) web-based CompTox Chemistry Dashboard.
New paper on the transferability of the library
The manuscript “On the Inter-instrument and the Inter-laboratory Transferability of a Tandem Mass Spectral Reference Library. 3. Focus on Ion Trap and Up-front CID.” (H. Oberacher, F. Pitterl, E. Siapi, B. R. Steele, T. Letzel, S. Grosse, B. Poschner, F. Tagliaro, R. Gottardo, S. A. Chacko, J. L. Josephs) has been published in Journal of Mass Spectrometry.
In the paper we have demonstrated with spectra obtained from ion trap and up-front CID instruments that the library represents a reliable and robust identification tool.
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Pittcon-Wiley Online Symposium
Part of the Pittcon-Wiley Online Symposium on Advancing Bioanalysis (Oktober 12, 2011), Herbert Oberacher will have a talk on “Principles and Applications of the Wiley Registry Tandem Mass Spectral Data”.
[Read More]MSforID library published by Wiley
We proudly announce that the library is available from Wiley as “Wiley Registry of Tandem Mass Spectral Data, MSforID” (ISBN: 978-1-1180-3744-7).
[Read More]Performance evaluation of the MSforID library
The manuscript “Quality Evaluation of Tandem Mass Spectral Libraries.” (H. Oberacher, S. Dresen, W. Weinmann) has been published in Analytical and Bioanalytical Chemistry.
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