Metabolite Identification

Metabolite Identification

Bring unparalleled ease and efficiency to Met ID processes with Waters comprehensive metabolite identification and characterization solutions. Waters flexible user-driven workflows help you rapidly derive results from complex DMPK data sets to accelerate drug discovery and development.

Bring unparalleled ease and efficiency to Met ID processes with Waters comprehensive metabolite identification and characterization solutions. Waters flexible user-driven workflows help you rapidly derive results from complex DMPK data sets to accelerate drug discovery and development.
Researcher scientist typing on a laptop in laboratory
Researcher scientist typing on a laptop in laboratory

Overview

Speed is critical when deciding what to synthesize next in drug discovery. Having an efficient data acquisition and analysis strategy for drug metabolism studies— from discovery to development— is vital to success.

Get the answers you need for your drug metabolism studies throughout the entire pipeline with Waters Metabolite Identification Application Solutions. Quickly identify and characterize metabolites with flexible user-driven workflows to derive results from complex DMPK data sets without needing to customize methods for each compound.

In discovery, acquire answers to proceed or change direction and get the right molecules into the pipeline. In development, obtain a deep understanding of the drugs you are working with for well-characterized and safe molecules. Waters purpose-built systems, software, consumables, and services consolidate data acquisition, processing, and management into a powerful analytical platform so you can select the right molecules early and accelerate the drug discovery and development process.

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Applications

Metabolite detection and identification play a key role in the drug discovery and development processes. They provide critical information for lead candidate selection pharmacokinetics optimization in early discovery, support of safety assessment studies, ensure safety during clinical trials and ongoing product development. Learn how integrated, automated acquisition, and processing system for drug metabolite detection, mining, and identification using multi-reflecting time-of-flight technology and ion mobility-enabled high-resolution liquid chromatography (LC-MS), with a data-driven, structural assignment workflow, enables accurate results in these application notes.

Metabolite detection and identification play a key role in the drug discovery and development processes. They provide critical information for lead candidate selection pharmacokinetics optimization in early discovery, support of safety assessment studies, ensure safety during clinical trials and ongoing product development. Learn how integrated, automated acquisition, and processing system for drug metabolite detection, mining, and identification using multi-reflecting time-of-flight technology and ion mobility-enabled high-resolution liquid chromatography (LC-MS), with a data-driven, structural assignment workflow, enables accurate results in these application notes.

Application Notes

Application Notes

Solutions

Waters systems offer absolute performance in separation and sensitivity for metabolite identification and characterization.

Waters systems offer absolute performance in separation and sensitivity for metabolite identification and characterization.

Ultimate flexibility for deeper discovery

Ultimate flexibility for deeper discovery
SYNAPT XS

Pave a path toward success for any MS application with the SYNAPT XS ion mobility time-of-flight mass spectrometer, for ultimate analytical flexibility and Collision Cross Section (CCS) measurements to increase your confidence in compound identification.

  • Metabolite Detection and Identification

Endless possibilities. Limitless research.

Endless possibilities. Limitless research.
SELECT SERIES Cyclic IMS

Combine cyclic ion mobility separation with time-of-flight mass spectrometry with Waters SELECT SERIES Cyclic IMS to separate by shape and m/z for separation of isomers, measure the CCS of an ion, and achieve cleaner mass spectral data.

  • Metabolite Detection and Identification

Redefine performance with all the benefits of time-of-flight technology

Redefine performance with all the benefits of time-of-flight technology
SELECT SERIES MRT

Accelerate your research and comprehensively identify analytes in complex samples with the SELECT SERIES MRT, delivering a unique combination of ultra-high resolution and specificity independent of scan speed, resulting in unambiguous compound identification with even the most complex samples.

  • Metabolite Detection and Identification

Delivering performance and speed without compromise

Delivering performance and speed without compromise
Xevo MRT Mass Spectrometer

Unlock a new level of confidence with the Xevo MRT Mass Spectrometer, a state-of-the-art QTof that delivers 100K FWHM resolution at 100 Hz with sub-ppm mass accuracy for confident identification and greater productivity in your lab.

  • Metabolite Detection and Identification

Complete coverage for confident characterization

Complete coverage for confident characterization
Xevo G3 QTof

Maximize sample information for your analytes from detailed characterization to accurate quantitation with the Xevo G3 QTof, which extends the range of characterization, from challenging small molecules to complex biotherapeutics, for complete confidence in your results.

  • Metabolite Detection and Identification

Complex chromatography challenges, solved

Complex chromatography challenges, solved
ACQUITY UPLC I-Class PLUS System

Achieve rapid separations from industry-leading ultra-low dispersion and delay volume with the ACQUITY UPLC I-Class PLUS System, enabling narrow, ultra-efficient peaks, enhancing the sensitivity of any mass spectrometer, and simplifying the characterization of the most complex sample.

  • Metabolite Detection and Identification

The next evolution in separation science is here

The next evolution in separation science is here
ACQUITY Premier System

Maximize the sensitivity, repeatability, and robustness of LC and LC-MS applications with the ACQUITY Premier System for a step change in chromatographic performance, enabling you to minimize the risk of undetected analytes for increased efficiency and confidence in your results.

  • Metabolite Detection and Identification

Streamline confidence for metabolite identification analysis.

Streamline confidence for metabolite identification analysis.

Delivering connected science for your lab evolution

Delivering connected science for your lab evolution
waters_connect Software Solutions

Explore, discover, and push the boundaries of how you use data with waters_connect Software Solutions that provide workflows across a range of instruments and applications — quantitation, biopharmaceutical, and other accurate mass-based analyses — to improve efficiency and reproducibility while reducing manual errors.

  • Metabolite Detection and Identification

A powerful tool for drug metabolite identification from LC-MS data

A powerful tool for drug metabolite identification from LC-MS data
MassMetaSite Software

Implement an established approach for the automatic identification of metabolites for small molecules and peptides using LC-MS, UV, fluorescence, and radio-chromatogram data with MassMetaSite, reducing analysis time from several hours to only a few minutes per compound.

  • Metabolite Detection and Identification

Quality consumables to support your success.

Quality consumables to support your success.

Increase speed, sensitivity, and resolution, without compromising data integrity

Increase speed, sensitivity, and resolution, without compromising data integrity
ACQUITY UPLC Columns

Increase sample throughput, achieve unmatched resolution, and improve analyte sensitivity with Waters ACQUITY UPLC Columns to meet all your method requirements and substantially reduce your analysis time and cost-per-sample. 

  • Metabolite Detection and Identification

Achieve optimum performance from your equipment

Achieve optimum performance from your equipment
Pharmaceutical and Life Science Standards & Kits

Drive successful results and add an additional layer of assurance to critical pharmaceutical and life science applications with Waters pharmaceutical and life science standards.

  • Metabolite Detection and Identification

Improve confidence in your analyses

Improve confidence in your analyses
Analytical Standards and Reagents

Ensure your system is fit for purpose for metabolite ID with Waters analytical standards and reagents, an extensive line of precisely formulated calibrators, controls, and standards to support quality and consistency from day to day, system to system, and lab to lab.

  • Metabolite Detection and Identification

Achieve testing efficiencies and accurate results using streamlined Waters services and support.

Achieve testing efficiencies and accurate results using streamlined Waters services and support.

Your success is just a click away

Your success is just a click away
Waters Global Services

Optimize your laboratory's productivity and success with Waters Global Services. Maintain peak system performance, minimize downtime, address application challenges, and support stringent compliance requirements.

  • Metabolite Detection and Identification

Make science more accessible with Waters Capital

Make science more accessible with Waters Capital
Payment Solutions

Maximize your lab resources and minimize risk with payment options from Waters Capital, which includes innovative solutions to upgrade aging instruments, customized support, and flexible options to bundle your complete laboratory solution in one easy monthly payment – everything you need to advance your science.

  • Metabolite Detection and Identification

The data speaks for itself

The data speaks for itself
10 Hz acquisition of UPLC SELECT SERIES MRT ES+ fine isotope structure for desmethyl naproxen glucuronide [naproxen glucuronide +Na]+
Improved fragment ion intensities demonstrated for gefitinib metabolite M7 (MQZP, m/z 378.1021). Increased ion intensities relating to transitions m/z 318.0440 and 304.0284 are shown to increase for the ACQUITY Premier HSS T3 Column.
A+1 and A+2 fine isotope accurate mass spectra for [carbamazepine-o-sulfate - H]-.
ATD plots of m/z 297.1967 [M+H]+ for oxygenated imipramine metabolites following 1 to 4, 13, and 25* passes during cIMS analysis (*after ejection of 10-hydroxyimipramine).

Related

Biopharma and Pharma
Waters accessible yet powerful analytical workflow solutions translate complexity into clarity, so you can efficiently access the knowledge to take your product from Point A to Point FDA, EMA, and beyond.

Learn more about Metabolite Identification Solutions.

Learn more about Metabolite Identification Solutions.
Researcher scientist typing on a laptop in laboratory
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