Waters introduces collision cross-section library

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  • Published: Jun 7, 2016
  • Author: Jon Evans
  • Source: Waters Corporation
  • Suppliers: Waters Corporation
  • Channels: HPLC / Base Peak

Waters Corporation has introduced a new metabolic profiling reference library for use during ion mobility mass spectrometry-based research. The Metabolic Profiling CCS Library includes more than 900 measurements of collision cross-section (CCS) values, which measure the three-dimensional shape of molecules in the gas phase and thus provide additional identification information for confirming analytical results. The library also includes more than 600 MS/MS spectra.

The library is included in Waters UNIFI Scientific Information System, the company’s unique software platform that combines instrument control and data analysis, visualization, and management of both chromatography and mass spectrometry results. The library is also available for use with Progenesis QI Software.

The Metabolic Profiling CCS Library allows research scientists to accurately identify biomarkers in complex sample matrices when using ion mobility separations. A CCS value is a precise physicochemical property of an ion related to its size, shape and charge in the gas phase. In untargeted metabolomics studies involving small sample amounts that are highly complex, researchers can use CCS values in the library to confirm identifications of endogenous metabolites and lipids showing statistically significant changes between different sample groups.

“Metabolomics and lipidomics are critical techniques for biomarker discovery and translational research, whether identifying endogenous biomarkers of interest for efficacy, or understanding disease progression,” said David Heywood, senior business development manager for Waters’ omics solutions. “Ion mobility mass spectrometry is an enabling technology for performing untargeted metabolomics studies where the researcher wants to learn as much as possible about the underlying biology. Where ion mobility increases overall chromatographic peak capacity, CCS values improve confidence that a researcher has correctly identified a particular metabolite.”

The Metabolic Profiling CCS Library for UNIFI is available with the Vion IMS QTof and SYNAPT G2-Si HDMS Systems, which are high-resolution mass spectrometers that reduce the complexities of executing ion mobility-based analyses. When used in conjunction with Progenesis QI Software, the technologies allow researchers to robustly and routinely mine complex samples with high coverage and statistical rigor.

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