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Optimization of a Vacuum Ultraviolet Photoionization source for Gas Chromatography used with a High Resolution Time of Flight Mass Spectrometer
Lloyd Allen and Viatcheslav Artaev

-Tune solution allows optimization of ion source parameters for
both proton transfer and direct ionization
-Independent ionization processes exist for M+ and MH+
-Optimizing for dopant signal intensity yields inferior results
-Degree of fragmentation remains relatively constant over a
range of source conditions

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Analysis of Organic Marker Compounds and Hazardous Organic Compounds by GC/MS to Identify Contamination, Counterfeiting and Adulteration of Spices
Patricia Atkins

Our previous study of spices was designed to evaluate the metal content in the spices for evidence of contamination by heavy metals or for adulteration and counterfeiting by notable concentrations of wear or additive metals. This study targeted the same spice samples to quantify the characteristic primary and secondary market compounds for each spice group.

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A Novel Benchtop Time-of-Flight GC-MS System for High Performance Analysis of Human Urine
David E. Alonso, Joseph E. Binkley, Lorne M. Fell

A workflow was developed and implemented for the effective comparison of urine. It involved the preparation of stable compounds through derivatization, data acquisition using a high performance benchtop TOFMS, comprehensive data processing (NonTarget Deconvolution™), and quick retrospective analysis of rich datasets using Target Analyte Finding.

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Platform Agnostic Data Processing Routine for Targeted and Untargeted Metabolite Identification in Drug Discovery
Richard Lee,1 Vitaly Lashin,2 Andrey Paramonov,2 Alexandr Sakharov,2 Alexey Aminov2

A discussion of a new informatics solution that addresses common challenges in metabolite identification and characterization--from LC/MS data processing and metabolites prediction to reporting and databasing of assembled biotransformation knowledge.

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Accurate Mass Spectral Database: Harnessing the Power of High Performance Mass Spectrometry at Long Last
Lorne Fell, Viatcheslav Artaev, Kevin McNitt, Steve Robles, Albert Lebedev

Standard mixtures comprising of alkanes, PAHs, semivolatiles, and pesticides were analyzed using a high resolution time-of-flight (HRTOF) mass spectrometer—Pegasus GC-HRT (LECO Corporation, Saint Joseph,MI)—at 10 spectra-per-second (m/z40–300) in high resolution mode (25,000 at FWHH). The resulting chromatographic peaks were automatically found, deconvoluted, and curated into an Accurate Mass Library (AML).

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Automated Sample Preparation of Whole Blood for Therapeutic Drug Monitoring and Diagnostics by LC-MS using a Commercial Autosampler
Christian Berchtold1, Irene Wegner1,Timm Hettich1, Reto Bolliger2, Guenter Boehm2, Goetz Schlotterbeck1

In this poster the parameters necessary to automatically prepare whole blood samples for online LC-MS applications in the field of diagnostics and TDM have been investigated. A strategy and the most important parameters are shown for the optimization of a PAL RTC autosampler
for the preparation of whole blood samples.

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A Unified Software Platform for Laboratory Informatics
Graham A. McGibbon, Hans de Bie, David Hardy, Ryan Sasaki, Patrick Wheeler, Carol Preisig

Reported here are capabilities in automated workflows involving analytical data with chemical structures. Specifically described is automated homogenization of data from a set of instruments, including NMR structure verification, as one solution.

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Analysis of Terpenes Using Gas Chromatography with Vacuum Ultraviolet
Changling Qiu, Jonathan Smuts, Phillip Walsh, and Kevin A. Schug

The VUV absorption spectra for different terpenes were distinctive and differentiable. GC-VUV demonstrated the capabilities for qualitative and quantitative analysis of terpenes in turpertine mixtures. Chromatographic coeluting signals can be deconvolved by the VUV data analysis software.

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Determination of C2-C12 Aldehydes in Water by SPME Arrow On-Fiber Derivatization and GC/MS
Peter Egli, Beat Schilling, Guenter Boehm, Kai Schueler

A method applying SPME Arrow extraction and on-fiber derivatization for the quantitation of C2-C12 aldehydes in water by GC/MS is described.

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Assessing Diversity in Cassava through the Application of Metabolomics
Margit Drapala, Elisabete Carvalhoa, Laura Perez-Fonsa, Elliott Pricea, L. Augusto Becerra Lopez-Lavalleb, Paul D. Frasera

In the present study metabolomic platforms have been established for Cassava and used to assess the biodiversity present in Cassava germplasm collections and elucidate underlying biochemical mechanisms associated with traits of interest.

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Scientific News
‘NoBody,’ a Microprotein On a Mission
Researchers identify over 400 microproteins encoded in the human genome, one of which clears unneeded genetic material inside cells.
Metabolite Promotes Cancer Cell Transformation
Researchers have identified a metabolite that promotes cancer cell transformation and colorectal cancer spread.
Cocaine Test Could Lead to Rapid Roadside Testing
Scientists develop urine and oral fluid diagnostic test for cocaine, utilising a compact mass spectrometer.
Alarming Glyphosate Levels Found in Foods
Glyphosate has been found at alarming levels in a wide range of best-selling foods across the U.S.
The Benefits of a Mediterranean-style Diet
A Western-style diet, with more omega-6 fatty acids than the Mediterranean, dysregulates lipid signaling in aged mice and promotes inflammation.
Are Sweeteners as Natural as We Think?
New research study supports stevia’s naturality by identifying nine required molecules present in the dried stevia leaf.
Peer Review is in Crisis, But Should be Fixed, Not Abolished
After the time to get the science done, peer review has become the slowest step in the process of sharing studies, and some scientists have had enough.
Rapid Identification of Illicit Designer Drugs
New technique can identify commonly used illicit compounds in as little as 15 seconds.
Enhancing On-line Biological Sample Processing
New techniques are required to meet emerging demands on biopharmaceutical analysis.
Early Warning System for Colorectal Cancer
Potential new diagnostic tool identified for the second most common cancer in the world.
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