Oct
30
2016

Publications

We have published 21 articles describing principles and applications of the MS/MS library:

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.

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.

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.

H. Oberacher, K. Arnhard. Compound Identification in Forensic Toxicological Analysis with Untargeted LC/MS-based Techniques. Bioanalysis, 7 (2015) 2825-2840

A.E. O’Leary, H. Oberacher, S.E. Hall, C.C. Mulligan. Combining a Portable Tandem Mass Spectrometer with Automated Library Searching – An Important Step Towards Streamlined, On-Site Identification of Forensic Evidence. Analytical Methods, 7 (2015), 3331-3339.

K. Arnhard, F. Pitterl, H. Oberacher. Applying ‘Sequential Windowed Acquisition of All Theoretical Fragment Ion Mass Spectra’ (SWATH) for Systematic Toxicological Analysis with Liquid Chromatography – High-Resolution Tandem Mass Spectrometry. Analytical and Bioanalytical Chemistry, 407 (2015), 405-414.

F. Pitterl, S. Köb, J. Pitterle, B. Schubert, K. Libiseller, H. Oberacher. Comprehensive Systematic Toxicological Analysis of Human Body Fluids by Parallel LC/MS/MS and GC/MS Analysis. Toxichem Krimtech, 80 (2013), 228.

H. Oberacher. Applying Tandem Mass Spectral Libraries for Solving the Critical Assessment of Small Molecule Identification (CASMI) LC/MS Challenge 2012. Metabolites, 3 (2013), 312-324.

H. Oberacher, G. Whitley, B. Berger, W. Weinmann. Testing an Alternative Search Algorithm for Compound Identification with the “Wiley Registry of Tandem Mass Spectral Data, MSforID”. Journal of Mass Spectrometry, 48 (2013), 497-504.

H. Oberacher, G. Whitley, B. Berger. Evaluation of the Sensitivity of the “Wiley Registry of Tandem Mass Spectral Data, MSforID” with the “NIST/NIH/EPA Mass Spectral Library”. Journal of Mass Spectrometry, 48 (2013), 487-496.

H. Oberacher, B. Schubert, K. Libiseller, A. Schweissgut.  Identification of Drugs and Toxicants in Human Body Fluids by LC-MS/MS under Data-dependent Acquisition Control and Automated Database Search. Analytica Chimica Acta, 770 (2013), 121-131.

P. Würtinger, H. Oberacher. Evaluation of the Performance of a Tandem Mass Spectral Library with Mass Spectral Data Extracted from Literature. Drug Testing and Analysis, 4 (2012), 235-241.

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. 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. Journal of Mass Spectrometry, 47 (2012), 263-270.

B. Schubert, H. Oberacher. Impact of Solvent Condititions on Separation and Detection of Basic Drugs by Micro Liquid Chromatography-Mass Spectrometry under Overloading Conditions. Journal of Chromatography A, 1218 (2011), 3413-3422.

H. Oberacher, S. Dresen, W. Weinmann. Quality Evaluation of Tandem Mass Spectral Libraries. Analytical and Bioanalytical Chemistry, 400 (2011), 2641-2648.

B. Beer, B. Schubert, A. Oberguggenberger, V. Meraner, M. Hubalek, H. Oberacher.  Development and Validation of a Liquid Chromatography-Tandem Mass Spectrometry Method for the Simultaneous Quantification of Tamoxifen, Anastrozole and Letrozole in Human Plasma and its Application to a Clinical Study. Analytical and Bioanalytical Chemistry, 398 (2010), 1791-1800. 

M. Pavlic, B. Schubert, K. Libiseller, H. Oberacher. Comprehensive Identification of Active Compounds in Tablets by Flow-injection Data-dependent Tandem Mass Spectrometry Combined with Library Search. Forensic Science International, 197 (2010), 40-47.

H. Oberacher, M. Pavlic, K. Libiseller, B. Schubert, R. Schuhmacher, M. Sulyok, F. Berthiller, E. Csaszar, H.C. Köfeler. On the Inter-instrument and the Inter-laboratory Transferability of a Tandem Mass Spectral Reference Library. 2. Optimization and Characterisation of the Search Algorithm. Journal of Mass Spectrometry, 44 (2009), 494-502.

H. Oberacher, M. Pavlic, K. Libiseller, B. Schubert, R. Schuhmacher, M. Sulyok, F. Berthiller, E. Csaszar, H.C. Köfeler. On the Inter-instrument and the Inter-laboratory Transferability of a Tandem Mass Spectral Reference Library. 1. Results of an Austrian Multicenter Study. Journal of Mass Spectrometry, 44 (2009), 485-493.

B. Schubert, M. Pavlic, K. Libiseller, H. Oberacher. Unraveling the Metabolic Transformation of Tetrazepam to Diazepam with Mass Spectrometric Methods. Analytical and Bioanalytical Chemistry, 392 (2008), 1299-1308.

M. Pavlic, K. Libiseller, H. Oberacher. The Combined Use of ESI-QqTOF-MS and ESI-QqTOF-MS/MS for the Qualitative Analysis of Drugs. Analytical and Bioanalytical Chemistry, 386 (2006), 69-82.

Written by Herbert Oberacher in: Publications | Tags: , ,

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