Nov
09
2016
 

Reliable compound Identification with Low Resolution MS/MS

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.

In this publication, we demonstrate the successful application of low-resolution MS/MS for non-targeted LC/MS/MS-based compound identification in forensic toxicology.

Posted by Herbert Oberacher in: MSforID,News |
Nov
09
2016
 

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.

This is another review describing the usefulness of tandem mass spectral libraries for compound identification in forensic toxixology.

 

Posted by Herbert Oberacher in: MSforID,News |
Feb
14
2016
 

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.

Here is the link to the article.

Posted by Herbert Oberacher in: MSforID,News |
Feb
12
2016
 

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.

We have succesfully applied our non-targeted LC-MS/MS workflow to compound identification in water samples.

Posted by Herbert Oberacher in: MSforID,News |
Nov
26
2015
 

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

In this review, we provide a comprehensive overview on the current stage of development of untargeted LC-MS techniques used for systematic toxicological analysis in forensic toxicology.

 

Posted by Herbert Oberacher in: MSforID,News |
Oct
24
2015
 

FREE Webinar

Please join me for this FREE Webinar on November 10th at 10 am (EST) or after on demand.

Link: https://www.brighttalk.com/webcast/12771/177921

 

Oberacher image

 

I will give an overview on our efforts towards the development of a reliable, robust, and transferable tandem mass spectral database, and how such a database can successfully be implemented in workflows for comprehensive drug Analysis.

Posted by Herbert Oberacher in: MSforID,News |
Jul
09
2015
 

Contributors I

Lipomed logo

We would like to thank the Lipomed AG (Arlesheim, Switzerland) for the generous support of our database project. 

Please use the link to get a list of Lipomed compounds included in the ‘Wiley Registry of Tandem Mass Spectral Data‘.

Posted by Herbert Oberacher in: Contributors,MSforID,News |
Jul
08
2015
 

Drug identification with a portable mass spectrometer

We proudly announce that our library was succesfully combined with a portable tandem mass spectrometer to identify illicit drugs.

Spectra were generated by Prof. Mulligan’s Group.

More Information is provided in

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.

 

Cover for the April 15th issue of Analytical Methods

Posted by Herbert Oberacher in: News |
Jul
06
2015
 

Contributors II

We would like to thank the following disdinguished scientists for their valuable input to develeopment and validation of our library: 

U. Griesser, Institute of Pharmacy, University of Innsbruck, Innsbruck, Austria

P.J. Oefner, K. Dettmer, Institut für Funktionelle Genomik, Universität Regensburg, Regensburg, Germany

G. Gmeiner, Chemical Analytics, Seibersdorf Labor GmbH, Seibersdorf, Austria

W. Weinmann, S. Dresen, Institute of Forensic Medicine, University of Bern, Bern, Switzerland, and Institute of Forensic Medicine, FreiburgUniversity Medical Centre, Freiburg, Germany

Th. Letzel, B. Poschner, S. Grosse, Competence Pool Weihenstephan, TU Munich, Germany

B.R. Steele, E. Siapi, F. Pitterl, Institute of Organic and Pharmaceutical Chemistry, National Hellenic Research Foundation, Athens, Greek

J.L. Josephs, S.A. Chacko, Department of Biotransformation, MSPCO, Bristol-Myers Squibb Research and Development, Hopewell, NJ, USA

F. Tagliaro, R. Gottardo, Unit of Forensic Medicine, Department Public Health and Community Medicine, University of Verona, Italy

R. Schuhmacher, M. Sulyok, F. Berthiller, Department IFA-Tulln, University of Natural Resources and Applied Life Sciences, Vienna, Austria

E. Csaszar, Max F. Perutz Laboratories, Vienna Biocenter, Department of Biochemistry, University Vienna, Vienna, Austria

H.C. Köfeler, Center for Medical Research, Medical University of Graz, Graz, Austria

G. Lorbeer, Österreichisches Umweltbundesamt, Vienna, Austria

G. Whitley, John Wiley & Sons, Hoboken, NJ, USA

B. Berger, Wiley-VCH Verlag, Weinheim, Germany

Posted by Herbert Oberacher in: Contributors,MSforID,News |
Nov
25
2014
 

SWATH

The manuscript Applying ‘Sequential Windowed Acquisition of All Theoretical Fragment Ion Mass Spectra’ (SWATH) for Systematic Toxicological Analysis with Liquid Chromatography – High-Resolution Tandem Mass Spectrometry (K. Arnhard, F. Pitterl, H. Oberacher) has been published in Analytical and Bioanalytical Chemistry. The library was implemented as identification tool in LC/MS-based systematic toxicological analysis. SWATH was used as acquisition method to acquire high-resolution tandem mass spectra.

Posted by Herbert Oberacher in: News |

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