Discovery Metabolomics

Discovery Metabolomics

Obtain comprehensive metabolome coverage while minimizing analytical variability with Waters flexible solutions for discovery metabolomics. Waters high-performance LC-MS applications measure changes in a biological system’s complete set of metabolites in an unbiased manner to confidently generate hypothesis research faster.

Obtain comprehensive metabolome coverage while minimizing analytical variability with Waters flexible solutions for discovery metabolomics. Waters high-performance LC-MS applications measure changes in a biological system’s complete set of metabolites in an unbiased manner to confidently generate hypothesis research faster.
Metabolomics DNA body
Metabolomics DNA body

Overview

The diversity of chemical composition and natural abundance levels in a biological system’s complete set of metabolites challenge chromatographic and mass spectrometric performance. Waters LC-MS-based workflows for discovery metabolomics deliver the flexibility to analyze metabolites of significance in your sample in a reproducible, unbiased manner with powerful performance. Generate your hypothesis faster with:

  • The deepest coverage, with the ACQUITY Premier System that minimizes metabolite loss and maximizes peak capacity measuring more of the diverse metabolome
  • Confident metabolite identification, using high-resolution mass spectrometry with ppb mass accuracy or ion mobility workflows that combine data independent acquisition, collision cross section (CCS) measurement, and library support
  • Analytical flexibility to study metabolites in new ways, extending your LC-MS/MS capabilities to imaging applications with DESI XS
  • Large study efficiency, by combining ACQUITY PREMIER with the Xevo MRT, delivering high-throughput performance without compromising data quality

Applications

Learn how the combination of Waters chemistry, UPLC, and high-performance time-of-flight mass spectrometry is enabling comprehensive profiling of the metabolome with these application notes.

Learn how the combination of Waters chemistry, UPLC, and high-performance time-of-flight mass spectrometry is enabling comprehensive profiling of the metabolome with these application notes.

Application Notes

Application Notes

Case Study: Metabolic Profiling at the National Phenome Centre

The National Phenome Centre in London, UK recently upgraded its Waters quadrupole time-of-flight (QTof) mass spectrometers to enhance the vast data generated by the institution’s cutting-edge multi-technology platform.

The National Phenome Centre in London, UK recently upgraded its Waters quadrupole time-of-flight (QTof) mass spectrometers to enhance the vast data generated by the institution’s cutting-edge multi-technology platform.
Download Case study

Solutions

Waters LC-MS systems offer absolute performance in separation and sensitivity for discovery metabolomics workflows.

Waters LC-MS systems offer absolute performance in separation and sensitivity for discovery metabolomics workflows.

Delivering performance and speed without compromise

Delivering performance and speed without compromise
Xevo MRT

Achieve exceptional science 100% of the time with the Xevo MRT Mass Spectrometer. This state-of-the-art QTof delivers 100K FWHM resolution at 100 Hz with sub-ppm mass accuracy for confident identification and greater productivity in your lab.

  • Metabolomic Profiling

The next evolution in separation science is here

The next evolution in separation science is here
ACQUITY Premier System

Minimize metal-sensitive analyte loss and improve metabolite recovery with the ACQUITY Premier System for a step change in chromatographic performance, lab efficiency, and risk control.

  • Metabolomic Profiling

Ultimate power, ultimate performance. Redefine the boundaries of science.

Ultimate power, ultimate performance. Redefine the boundaries of science.
SELECT SERIES Cyclic IMS

Combine novel cyclic ion mobility separation with state-of-the-art high performance, time-of-flight mass spectrometry with SELECT SERIES Cyclic IMS to extend the benefits of routine ion mobility and achieve variable, high-resolution separations.

  • Metabolomic Profiling

All the benefits of time-of-flight technology, redefined performance

All the benefits of time-of-flight technology, redefined performance
SELECT SERIES MRT

Accelerate your research and comprehensively identify analytes in your complex samples with the SELECT SERIES MRT, built with state-of-the-art Multi Reflecting Time-of-Flight (MRT) technology.

  • Metabolomic Profiling

Without discovery, decisions are made in the dark

Without discovery, decisions are made in the dark
SYNAPT XS High Resolution Mass Spectrometer

Obtain ultimate flexibility to support scientific creativity and technical success for discovery metabolomics applications with SYNAPT XS, for cutting-edge analytical performance with SONAR and HDMSE to interrogate complex mixtures.

  • Metabolomic Profiling

Precise, efficient DMPK and small molecules Omics research

Precise, efficient DMPK and small molecules Omics research
Mass Analytica Software

Mass Analytica specifically designs software to enhance precision and efficiency in DMPK and small molecules Omics research, offering a user-friendly interface and advanced algorithms for comprehensive data processing.

  • Metabolomic Profiling

Identify and quantify the changing metabolites in your samples

Identify and quantify the changing metabolites in your samples
Progenesis QI

Accurately quantify and identify metabolites that are significantly changing in your samples. Intuitive, menu-guided workflows allow you to discover compounds of interest rapidly, objectively, and reliably.

  • Metabolomic Profiling

Automate so your team can focus on the critical

Automate so your team can focus on the critical
Andrew+ Pipetting Robot

Obtain automated liquid handling with Waters Andrew+ Pipetting Robot that offers electronic pipettes and innovative labware holders. By adding connected tools for processes such as heating or labware transportation with Device+, you gain a full walk-away automation solution.

  • Metabolomic Profiling

Quality and reliable consumables to support your discovery metabolomics success.

Quality and reliable consumables to support your discovery metabolomics success.

Stop looking and start seeing – no compromise required

Stop looking and start seeing – no compromise required
ACQUITY Premier Columns

Reduce the risks associated with unpredictable chromatography with ACQUITY Premier Columns with MaxPeak High Performance Surfaces (HPS) Technology, which allow you to see and do more by reducing analyte/surface interactions.

  • Metabolomic Profiling

The data speaks for itself

The data speaks for itself
Three-dimensional drift time plot highlighting two features separated by a single pass with the SELECT SERIES Cyclic ion mobility with each feature’s corresponding high energy fragmentation spectra
Three-dimensional drift time plot highlighting two features separated by a single pass with the SELECT SERIES Cyclic ion mobility with each feature’s corresponding high energy fragmentation spectra. Selected features in the three-dimensional plots are outlined in the dark blue box.
Representative chromatograms from the aqueous and organic phases following the MTBE extraction of human sputum
Representative chromatograms from the aqueous and organic phases following the MTBE extraction of human sputum.
A representative triglyceride lipid at m/z 874 is provided at scan rates of 1, 5, 10 and 20 Hz, for which we can see that the mass resolution is maintained across all scan rates in the region of 80,000
A representative triglyceride lipid at m/z 874 is provided at scan rates of 1, 5, 10 and 20 Hz, for which we can see that the mass resolution is maintained across all scan rates in the region of 80,000.​

Webinars and Resources

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Targeted Omics Method Library
Enhance lab capabilities while reducing costs with the Waters Targeted Omics Method Library, designed for instant access to a diverse range of valuable targeted LC-MS/MS methods developed by experts.

Disease Focus | Cancer
Whether your research involves quantitating specific pathways or profiling the metabolome of specific cancers, Waters offers accurate, precise, and reproducible measurements of tens to hundreds of analytes from a single sample.

Metabolomics
Enhance your workflows for discovery and targeted metabolomics with Waters solutions.

Learn more about Waters Discovery Metabolomics Solutions.

Learn more about Waters Discovery Metabolomics Solutions.
Metabolomics DNA body
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Discovery metabolomics, also called untargeted metabolomics, is a way to study all the small molecules, or metabolites, in a living system. Instead of focusing only on a specific group of known compounds, this approach looks broadly at the entire metabolome. Because of this, it is very useful when scientists want to find unexpected changes, discover new biomarkers, or learn how a system reacts to different conditions such as illness, treatment, diet, or environmental stress.

The process relies on advanced tools like liquid chromatography and mass spectrometry (LC-MS), which can measure thousands of metabolites at once with high accuracy. By comparing the metabolic profiles of different samples such as healthy versus diseased tissue, researchers can identify changes in pathways and uncover how these differences affect biological functions. This gives a clearer picture of what is happening inside the body at the molecular level.

Discovery metabolomics is important in many fields. In medicine, it helps reveal new ways to detect diseases early or create better treatment options. In drug development, it provides insights into how medicines work and what side effects they may cause. In nutrition and environmental studies, it shows how food, lifestyle, or exposure to outside factors can shape metabolism.