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Ancora 1
Vendor Seminars
  • Sciex

New approaches for target and untarget screening in Toxicology with LC-MS/MS SWATHTM analysis

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Samuele Scurati

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Sciex Italy, via Cappuccini 6 Milano, Italy; E-mail: samuele.scurati@sciex.com

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Target and untarget screening in toxicology are challenging goals. To be successful, High Resolution Mass Spectrometers with SWATHTM analysis can be used. SWATH analysis allows the registration of all the high resolution MS and MS/MS spectra with no loss of information. As consequence, a real complete fingerprint of the samples can be acquired with the possibility of a full retrospective analysis and compounds quantitation. Then, all the registered MS and MS/MS spectra can be easily processed using dedicated software and databases containing lists of toxic compounds; in case of new synthetized molecules not yet available in database, the molecular formula identification followed by online search and MS/MS interpretation can help in compounds identification. A real case of Target and Untarget screening will be shown using as an example the analysis of internet available tablets. Data acquired with X500R QTOF will be processed in a real time software session and the process used to identify the compounds will be explained.

  • Bruker

Fast and comprehensive LC-MSn identification for drugs and drugs of abuse in clinical research and forensics

 

Elisa Basso 1, Anthony Drury 2

 

1 Bruker Daltonics S.r.l., via Cluentina 26/R 62100 Macerata, Italy, elisa.basso@bruker.com

2 Bruker UK Ltd., Banner Lane, Coventry, CV4 9GH, United Kingdom

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There is high demand in clinical research and forensic toxicology for comprehensive, specific and transferable technique that overcome the well-known limitations of current GC-MS, LC-UV/DAD and immunoassay solutions. Liquid chromatography-tandem mass spectrometry (LC-MS) combined with library searching is an emerging screening solution for toxicology research.

With this talk we present ToxtyperTM, a robust and automated research based screening solution for the detection and identification of drugs and drugs of abuse in biological specimens. The workflow was tested, with great results, with regard to method – and result- transferability from lab to lab.

  • Waters

Systematic Toxicological Screening Using LC-MS.

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Rob Lee, Michelle Wood, Simone Donzelli

 

Waters Corporation, Waters Italia, Simone_Donzelli@waters.com

 

 Forensic toxicology laboratories require reliable screening techniques that can detect a wide variety of toxicants in highly complex biological matrices, such as ante and postmortem specimens. This approach uses an UPLC coupled with triple quadrupole. Data is acquired in scanning mode using in-source fragmentation and library searching. Libraries are built by Waters using the NIST format and are dedicated to Toxicology. This method is suited for screening of more than 950 drug substances and metabolites. Runtime from sample to sample is only 15 minutes, including column conditioning. Sample deconvolution and library searching are managed by a dedicated software specific for this kind of application.

This solution has been successfully and routinely used in toxicology laboratories worldwide providing a simple and sensitive method for forensic toxicology screening of compounds in various biological matrices  (Hair, blood, plasma, urine, oral fluid).

  • Thermo

Forensic Toxicology: a Journey Towards the Unknown

 

Claudio De Nardi

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Thermo Fisher Scientific GmbH, Germany, claudio.denardi@thermofisher.com

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Mass Spectrometry associated to Liquid Chromatography is playing a daily increasing role in Forensic Toxicology, allowing scientists to take advantage of databases and spectral libraries for a more and more reliable identification and confirmation of compounds in the most diverse matrices. The introduction of Orbitrap and High Resolution Accurate Mass Spectrometry in this field was the keystone towards untargeted and, most of all, unknown identification and confirmation. The need for a fast and reliable software for data processing and interpretation is now becoming as important as the impressive hardware evolution occurred in recent years.

  • Shimadzu

Applications of mass spectrometry to forensic sciences: GCMS, LCMS and MALDI Imaging

 

Veronica Mainini, Davide Giovanni Vecchietti, Giuseppe Scollo 

 

Shimadzu Italia Srl (Italy)

 

Forensic toxicological sample measurement can take two paths commonly referred to as targeted and untargeted analysis. Targeted approaches on triple quadrupole platforms are well established with MRM/SRM detection and quantitation for pre-determined lists of compounds. We will show the possibility to approach targeted analysis both by GCMS and LCMSMS.

For untargeted analysis, general unknown screening acquires full scan MS data to trigger MS/MS spectra at a broad range of collision energies above a predefined treshold. We will describe in detail the application of a nominal mass library acquired with certified reference materials to screen and identify forensic toxicology samples in routine clinical laboratories.

The method is designed to acquire MRM and scanning data with polarity switching in a single data file: the MRM provides quantitative results while full scan data help confirming identification.

We will also discuss one of the most recent approaches in forensic field : investigation of latent fingermarks by MALDI Imaging mass spectrometry.

Forensic Mass Spectrometry

The aims of Forensic Mass Spectrometry Verona 2016, are to exchange scientific and technical information and to promote research, improve practice, and encourage interdisciplinary collaboration among the different areas of forensic science (forensic pathology, toxicology, genetics, criminalistics etc) based on the most advanced analytical technology.​

November 11th, 2016 - Verona, Italy

1st IMaSS Symposium on

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