Waters adds METLIN MS/MS Library to Progenesis Software, Extending Metabolomics Capabilities

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  • Published: Mar 6, 2017
  • Source: Waters
  • Channels: HPLC / Laboratory Informatics / Base Peak / Chemometrics & Informatics

Waters Corporation (NYSE: WAT) announces the Waters® METLIN® MS/MS Library for Progenesis® QI, which offers implementation of a METLIN library directly within Progenesis QI Software for use with Waters’ high resolution mass spectrometry (MS) systems. This library plug-in to Progenesis QI enhances metabolomics researchers’ ability to confidently identify metabolites in complex samples using mass spectrometry. METLIN is one of the leading comprehensive metabolomic databases used by researchers in the field.

Progenesis QI Software enables researchers to analyze complex LC-MS data sets, visualize and extract reliable results, enabling users to rapidly identify and quantify significant changes between samples. The addition of direct access to the Waters METLIN MS/MS library streamlines library searching and further complements the comprehensive searching options already available within Progenesis QI.

The METLIN library, created in 2004, is an industry-standard resource developed Gary Siuzdak, professor and director of the Scripps Center for Metabolomics and Mass Spectrometry at The Scripps Research Institute. It represents one of the largest collections of reference metabolite data commonly used to confirm components in metabolomics experiments.

"One of the major roadblocks for omics scientists, whether they work in biomedical, food, environmental, or natural products research, is the confident identification of metabolites in complex samples. The implementation of the Waters METLIN MS/MS Library within Progenesis QI, as a quickly accessible local installation of the database, complements our already comprehensive library searching options available with our range or QTof Mass Spectrometers," said Jose Castro-Perez, Ph.D, Director of Global Markets for Health Sciences Marketing at Waters.

"This gives metabolomics researchers the ability to easily search a comprehensive MS/MS compound library locally within Progenesis QI, and to improve the workflow and identify more components in their samples with greater confidence," Castro-Perez noted.

The database includes multiple collision energies in positive and negative ionization modes derived from multiple mass spectrometry instruments, including Waters quadrupole time-of-flight (QTof) systems. The Waters METLIN MS/MS Library for Progenesis QI includes more than 240,000 different compounds, of which 13,900 are individually analyzed with measured MS/MS, and 220,000 have in silico MS/MS data.

Progenesis QI Software enables researchers to accurately identify and quantify compounds and proteins with unique methods to analyze and visualize LC-MS data. Supporting all common LC-MS data formats with intuitive guided workflows, Progenesis QI Software allows customers to rapidly, objectively and reliably discover compounds and proteins of interest in their valuable samples.

The Waters METLIN MS/MS Library for Progenesis QI is one of many tools and databases available within the software, which can combine results from multiple search methods and databases, and provides a scoring method to help assess search results. The availability of the Waters METLIN MS/MS database for

Progenesis QI results from a new software distribution agreement between Waters and the Mass Consortium Corporation.

About Waters Corporation

Waters Corporation (NYSE:WAT) develops and manufactures advanced analytical and material science technologies for laboratory dependent organizations. For more than 50 years, the company has pioneered a connected portfolio of separations science, laboratory information management, mass spectrometry and thermal analysis systems.

About Mass Consortium Corporation

MCC, founded in 1994, is focused on mass spectrometry technology development and commercialization for the biotechnology and pharmaceutical industries. Their products have included cloud-based metabolomic informatics, novel mass spectrometry imaging, educational tools, and database development.

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