The manuscript “Applying Tandem Mass Spectral Libraries for Solving the Critical Assessment of Small Molecule Identification (CASMI) LC/MS Challenge 2012.” (H. Oberacher) has been published in Metabolites.
[Read More]Cross-validation study with the MS/MS library part of the "NIST/NIH/EPA Mass Spectral Library"
The manuscripts "Evaluation of the Sensitivity of the “Wiley Registry of Tandem Mass Spectral Data, MSforID” with the “NIST/NIH/EPA Mass Spectral Library”” (H. Oberacher, G. Whitley, B. Berger) and "Testing an Alternative Search Algorithm for Compound Identification with the “Wiley Registry of Tandem Mass Spectral Data, MSforID”” (H. Oberacher, G. Whitley, B. Berger, W. Weinmann) have been published in Journal of Mass Spectrometry.
[Read More]Systematic toxicological analysis
The manuscript "Identification of Drugs and Toxicants in Human Body Fluids by LC-MS/MS under Data-dependent Acquisition Control and Automated Database Search" (H. Oberacher, B. Schubert, K. Libiseller, A. Schweissgut) has been published in Analytica Chimica Acta.
[Read More]Validation of the library with published spectra
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]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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