New High Resolution Mass Spectral Database Offers Essential Tool for Unknown Compound Identification

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  • Published: Jun 30, 2015
  • Source: Thermo Fisher Scientific
  • Channels: Laboratory Informatics / HPLC / Base Peak
thumbnail image: New High Resolution Mass Spectral Database Offers Essential Tool for Unknown Compound Identification

Web-based library developed in collaboration between Thermo Fisher and HighChem

San Francisco, CA. June 29, 2015.

Scientists conducting research in metabolomics, environmental, forensics and food safety can now turn to a globally accessible, web-based fragmentation library for identification of unknown compounds with high-quality, high resolution accurate mass (HRAM) data.

Developed through a collaboration between Thermo Fisher Scientific and HighChem, Inc., mzCloud (www.mzCloud.org) is a novel, searchable library of HRAM mass spectra, constructed from high-quality data from Thermo Scientific Orbitrap mass spectrometers.

“Building a comprehensive and structurally diverse library is only possible through a collective approach,” said Dr. Robert Mistrik, CEO, HighChem. “The input from Thermo Fisher and our other partners has allowed us to bring such a powerful tool to the research community via an intuitive and easy to use web interface.”

The mzCloud offers a tool for researchers who need to identify unknown compounds based on mass spectrometric data. It features a broad diversity of chemical compounds, extensive use of mass spectrometry to reveal sub-structure information, and a high level of data curation. In addition, production fingerprinting uses extensive mass spectrometry data to identify substructures for truly unknown compounds.

“Identifying unknown compounds is one of the biggest bottlenecks of metabolomics research – and a challenge for toxicology, food safety and environmental applications as well. Many turn to reference fragmentation libraries but quality and diversity of library data are essential,” said Tim Stratton, manager of library technologies for Thermo Fisher. “Combining our resources in mass spectrometry and global chemicals with HighChem’s chemical structure knowledge and capabilities, we’ve created a diverse and highly curated fragmentation library to help scientists identify unknown chemical compounds.”

mzCloud will be displayed this week at the 11th Annual International Conference of the Metabolomics Society, June 29-July 02, 2015 in San Francisco.

More information on mzCloud can be found by visiting www.mzCloud.org.

About HighChem

HighChem LLC is a scientific software company based in Bratislava, Slovakia, which focuses on the development of mass spectrometry software and cloud solutions for data processing and the identification of compounds. We design technologically advanced solutions based on heuristic, graph theoretical and quantum chemical methods, and we build in-house curated data collections of experimental mass spectra, fragmentation patterns, and biochemical data. Our products benefit over 2,000 customers engaged in pharmaceutical, biomarker, forensic, environmental protection, food control and related applications. For more information, please visit www.highchem.com.

About Thermo Fisher Scientific

Thermo Fisher Scientific Inc. is the world leader in serving science, with revenues of $17 billion and approximately 50,000 employees in 50 countries. Our mission is to enable our customers to make the world healthier, cleaner and safer. We help our customers accelerate life sciences research, solve complex analytical challenges, improve patient diagnostics and increase laboratory productivity. Through our premier brands – Thermo Scientific, Applied Biosystems, Invitrogen, Fisher Scientific and Unity Lab Services – we offer an unmatched combination of innovative technologies, purchasing convenience and comprehensive support. For more information, please visit www.thermofisher.com.

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