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

publication date: Jul 22, 2015
 | 
author/source: Thermo Fisher Scientific

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

thermo fisherScientists 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 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.


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