Nov
10
2016
 

Welcome to “MSforID“!

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, “MSforID” allows sensitive and specific identification of small molecules irrespective of the instrument used to generate the data.

Library entries were generated on a high-resolution instrument with electrospray ionization in positive and negative ion mode.

Posted by Herbert Oberacher in: MSforID | Keywords:
Nov
10
2016
 

Invitation to join the “MSforID” project

The “MSforID” library represents one of the most powerful tandem mass spectrometric libraries available. In a number of publications we have demonstrated its transferability, robustness and accuracy. At the current stage of development the library contains reference spectra from ~1200 compounds. The library covers illicite drugs, pharmaceutical compounds, pesticides and other small bioorganic molecules.  we intend to increase the number of library entries to provide a versatile tool for qualitative analysis. Accordingly, we cordially invite scientist to contribute to the “MSforID” project by either providing reference compounds or submitting reference spectra.  If you are interested please contact herbert.oberacher@i-med.ac.at.

Posted by Herbert Oberacher in: MSforID |
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
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 |

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