F. Pitterl, S. Köb, J. Pitterle, J. Steger, H. Oberacher. Applying Low-Resolution Tandem Mass Spectrometry with Subsequent Library Search for Reliable Compound Identification in Systematic Toxicological Analysis. LCGC, 29 (2016), 419-427.[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 are also listed on the U.S. Environmental Protection Agency’s (EPA) web-based CompTox Chemistry Dashboard.
Another Review Article
H. Oberacher, K. Arnhard. Current Status of Non-targeted Liquid Chromatography-Tandem Mass Spectrometry in Forensic Toxicology. Trends in Analytical Chemistry, 84 (2016), 94-105.[Read More]
Article in local newspaper
The “Tiroler Tageszeitung” has published an article about the very succesful local “drug checking” initiative. We are part of the team and apply the tandem mass spectral library for compound identification.[Read More]
Application of the database to water analysis
J. Steger, K. Arnhard, S. Haslacher, K. Geiger, K. Singer, M. Schlapp, F. Pitterl, H. Oberacher Successful Adaption of a Forensic Toxicological Screening Workflow Employing Non-targeted Liquid Chromatography-Tandem Mass Spectrometry to Water Analysis. Electrophoresis, 37 (2016), 1085-1094.[Read More]
Review article on compound identification with non-targeted LC-MS techniques
H. Oberacher, K. Arnhard. Compound Identification in Forensic Toxicological Analysis with Untargeted LC/MS-based Techniques. Bioanalysis, 7 (2015) 2825-2840[Read More]