Small Molecule Research and Discovery

Small Molecule Research and Discovery

Eliminate uncertainty, accelerate breakthroughs, and uncover insights others can’t see with Waters LC-MS small molecule workflows that deliver the precision, confidence, and speed that discovery scientists and pharmaceutical researchers need to turn data into decisions and bring life-changing therapies to patients faster.

Eliminate uncertainty, accelerate breakthroughs, and uncover insights others can’t see with Waters LC-MS small molecule workflows that deliver the precision, confidence, and speed that discovery scientists and pharmaceutical researchers need to turn data into decisions and bring life-changing therapies to patients faster.

With the Xevo TQ-XS System, you’ll get robust results you can trust with the most demanding sample matrices.
With the Xevo TQ-XS System, you’ll get robust results you can trust with the most demanding sample matrices.

Overview

Small-molecule discovery demands speed, confidence, and uncompromised data quality from hit identification to candidate selection. Scientists need hardware that won’t interact with delicate analytes, methods that deliver reproducibility, and software that accelerates decisions.

With out-of-the-box performance for analytes containing acids, phosphates, and chelating functionalities, Waters combines MaxPeak High Performance Surfaces (HPS) Technology, high-resolution mass spectrometry, and waters_connect Software for cleaner separations, minimized unwanted interactions, and rapid data-to-insight turnaround. From advanced LC-MS systems and high-performance columns to compliance-ready workflows and expert support, Waters helps researchers innovate with clarity and bring breakthrough therapies to life:

  • Improve peak shape and sensitivity
  • Gain superior reproducibility
  • Support stable analytical performance without time-consuming conditioning
  • Improve acids without impacting bases and neutrals

Applications

Non-specific binding of analytes to material surfaces is an inherent characteristic of conventional chromatographic systems and columns. This leads to reduced sensitivity and sometimes poor peak shape in small molecule analysis. Explore how MaxPeak HPS Technology provides a solution without the need for strong mobile phase additives, chelators, or lengthy passivation protocols in these application notes.

Non-specific binding of analytes to material surfaces is an inherent characteristic of conventional chromatographic systems and columns. This leads to reduced sensitivity and sometimes poor peak shape in small molecule analysis. Explore how MaxPeak HPS Technology provides a solution without the need for strong mobile phase additives, chelators, or lengthy passivation protocols in these application notes.


Application Notes

Application Notes
Meat, cheese, and fruit charcuterie board

Small molecule research is expanding into multiple areas, including cancer-fighting drug candidates targeting kinase inhibitors. These peptide-mimicking molecules require high-resolution impurity analyses. Discover efficient LC- MS approaches for the separation, identification, and structural analysis of kinase inhibitors in these application notes.

Small molecule research is expanding into multiple areas, including cancer-fighting drug candidates targeting kinase inhibitors. These peptide-mimicking molecules require high-resolution impurity analyses. Discover efficient LC- MS approaches for the separation, identification, and structural analysis of kinase inhibitors in these application notes.


Application Notes

Application Notes
Nonstick Teflon pan with wooden spoon on stovetop

PROTACs are a class of heterobifunctional molecules designed to bind to and degrade specific proteins through their linked active sites. Understanding their stability and degradants becomes essential. Learn how forced degradation studies, stability assessments, and LC-MS methods can effectively evaluate PROTAC degradation pathways and identify resulting degradants in this application note.

PROTACs are a class of heterobifunctional molecules designed to bind to and degrade specific proteins through their linked active sites. Understanding their stability and degradants becomes essential. Learn how forced degradation studies, stability assessments, and LC-MS methods can effectively evaluate PROTAC degradation pathways and identify resulting degradants in this application note.


Application Notes

Application Notes
Scientist working in an analytical food testing laboratory

Advancements in radiotherapy treatments have led to increased challenges in analysis and quality control. As therapies become more complex and involve short half-life radioisotopes, compounds need to be tested prior to final synthesis. This application note examines analysis to monitor synthesis and ensure proper evaluation.

Advancements in radiotherapy treatments have led to increased challenges in analysis and quality control. As therapies become more complex and involve short half-life radioisotopes, compounds need to be tested prior to final synthesis. This application note examines analysis to monitor synthesis and ensure proper evaluation.


Application Notes

Application Notes
Targeted TQ for PFAS Testing


MaxPeak Premier Solutions: Small Molecule Pharmaceutical Application Notebook

This application notebook explores the advantages of MaxPeak Premier Solutions, engineered with innovative MaxPeak HPS Technology. Designed to combat non-specific adsorption, these solutions enhance analyte recovery, sensitivity, and reproducibility by minimizing interactions with conventional metal surfaces. Covering pharmaceuticals, metabolomics, and food applications, the application notebook provides insights into improving chromatographic performance so that you achieve reliable, precise analytical results.

This application notebook explores the advantages of MaxPeak Premier Solutions, engineered with innovative MaxPeak HPS Technology. Designed to combat non-specific adsorption, these solutions enhance analyte recovery, sensitivity, and reproducibility by minimizing interactions with conventional metal surfaces. Covering pharmaceuticals, metabolomics, and food applications, the application notebook provides insights into improving chromatographic performance so that you achieve reliable, precise analytical results.


Solutions


Waters systems deliver precision, confidence, and speed to advance your small molecule research.

Waters systems deliver precision, confidence, and speed to advance your small molecule research.

The next evolution in separation science is here

The next evolution in separation science is here

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

  • Small Molecules

See clearly and consistently, with confidence

See clearly and consistently, with confidence

Generate the most accurate, reliable, and reproducible data with the Arc Premier System for robust results from the very first injection.

  • Small Molecules

Complex chromatography challenges, solved

Complex chromatography challenges, solved

With industry-leading separations performance, the ACQUITY UPLC I-Class PLUS System provides new possibilities for maximizing the resolution and sensitivity of your methods, enhancing the characterization of your samples, and improving productivity to advance the science of your laboratory.

  • Small Molecules

Let your LC inlet do the work for your nano- to micro-scale separations

Let your LC inlet do the work for your nano- to micro-scale separations

Achieve the performance you expect from nano- to microscale separations with the usability of an analytical-scale UPLC system with the ACQUITY UPLC M-Class System, designed and tested to deliver the right flow for the right column. 

  • Small Molecules

Quantitate with Absolute Power and eXtreme Robustness

Quantitate with Absolute Power and eXtreme Robustness

Gain absolute confidence to make powerful decisions and reach lower limits of quantitation with the Xevo TQ Absolute XR Mass Spectrometer, engineered for maximum sensitivity and productivity in a compact, sustainable design.

  • Small Molecules

Complete coverage for confident characterization

Complete coverage for confident characterization

Maximize sample information for your analytes from detailed characterization to accurate quantitation with the Xevo G3 QTof System, which enables complete confidence in your results.

  • Small Molecules

Delivering performance and speed without compromise

Delivering performance and speed without compromise

Obtain 100K FWHM resolution at 100 Hz with sub-ppm mass accuracy with the Xevo MRT Mass Spectrometer for mass resolution consistent over a broad m/z range independent of scan speed, even at the fastest acquisition rates. 

  • Small Molecules

Endless possibilities. Limitless research.

Endless possibilities. Limitless research.

Combining novel cyclic ion mobility separation with state-of-the-art, high-performance, time-of-flight mass spectrometry, the SELECT SERIES Cyclic IMS Systen unlocks the potential in scientific discovery.

  • Small Molecules

Separate beyond question with the power of mass detection

Separate beyond question with the power of mass detection

Easy to use and remarkably robust, the ACQUITY QDa II Mass Detector works in harmony with your chromatography to minimize the risk of unexpected components or coelutions and confirm trace sample constituents in a single workflow.

  • Small Molecules

Simple, robust, and versatile mass detection

Simple, robust, and versatile mass detection

Achieve uncompromised analysis of both low and high molecular weight species with a wide mass range with the SQ Detector 2, enabling versatile chromatographic options to ensure compatibility with all of your applications. 

  • Small Molecules

Delivering SmartMS to the masses

Delivering SmartMS to the masses

Increase productivity, improve data confidence, and simplify routine accurate mass workflows with the compact, compliance-ready and easy-to-use ACQUITY RDa Detector.

  • Small Molecules

Waters software can simplify interaction and has the potential to perform advanced experiments in your lab.

Waters software can simplify interaction and has the potential to perform advanced experiments in your lab.

Simplify data acquisition, processing, and reporting

Simplify data acquisition, processing, and reporting

Equip your lab with Empower Chromatography Data System (CDS) and gain advanced laboratory data management for your small molecule analyses, including acquisition, processing, and reporting for liquid and gas chromatography instruments.

  • Small Molecules

Reduce complexity and increase speed to results

Reduce complexity and increase speed to results

Maximize your productivity with compliant-ready solutions for the analysis of compounds like drugs of abuse, metabolites, impurities, extractables, and leachables with waters_connect for Small Molecule Workflows. 

  • Small Molecules

Resolve your toughest separation challenges with Waters Columns and Consumables.

Resolve your toughest separation challenges with Waters Columns and Consumables.

Technology that powers results

Technology that powers results

See all of your sample with MaxPeak Premier Columns, the most universal column platform for chromatographers who need to reduce variability risks and save time, all while increasing recovery and sensitivity.

  • Small Molecules
  • Kinase Inhibitors
  • PROTACs
  • Radiopharmaceuticals

The vial of choice for MS applications

The vial of choice for MS applications

Avoid analyte degradation of pH sensitive samples with Waters TruView pH Control LCMS Certified low adsorption vials, the only vials tested and certified for low analyte adsorption at 1 ng/mL and a maximum pH shift.

  • Small Molecules
  • Kinase Inhibitors
  • PROTACs
  • Radiopharmaceuticals

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

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.

  • Small Molecules
  • Kinase Inhibitors
  • PROTACs
  • Radiopharmaceuticals

Make science more accessible with Waters Capital

Make science more accessible with Waters Capital

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

  • Small Molecules
  • Kinase Inhibitors
  • PROTACs
  • Radiopharmaceuticals

The data speaks for itself

The data speaks for itself

(A) Overlay depicting 10 replicate injections of deferoxamine mesylate obtained using the ACQUITY Premier Solution. (B) Overlay depicting 10 replicate injections of the same analyte using a standard UPLC system and a standard column. ACQUITY UPLC HSS T3, 100 Å, 1.8 µm, 2.1 x 50 mm Columns were used in this study. The mass load of deferoxamine mesylate was 10 ng. Acetonitrile gradient separations were carried out with a 10 mM ammonium formate (pH 3.0) aqueous mobile phase, a flow rate of 0.5 mL/min, and a temperature of 30 °C. The deferoxamine peak was detected using an ACQUITY QDa Detector with SIR positive m/z 561.0. 

Vo retention time (thiourea) versus calculated column volume for 2.1 x 50 mm columns packed with a 2.5 µm, C18 stationary phase for MaxPeak HPS, Vendor A PEEK-lined, and Vendor B PEEK-lined column hardware. Column volumes were calculated from measurements of the inner diameter of each column tube. Analyses were performed with an ACQUITY UPLC chromatograph. Isocratic separation conditions included a flow rate of 0.30 mL/min, column temperature of 30°C, 75% acetonitrile mobile phase, 254 nm UV detection, and 1 µL injection volumes.

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.

Separation and MS XICs of imatinib and nine related impurities with MS-compatible mobile phases and an ACQUITY Premier CSH Phenyl-Hexyl Column (2.1 mm x 100 mm, C18, 1.7 µm, 130 Å). Detection: 267 nm. Flow rate: 0.4 mL/min. Gradient: 0.5% B to 100% B in 10 min with a linear gradient.


Webinars and Resources



  • On Demand Webinar

Breaking Barriers: The Rise of Inert Column Technologies for Small Molecule HPLC

Breaking Barriers: The Rise of Inert Column Technologies for Small Molecule HPLC
  • Application Notebook

MaxPeak Premier Solutions: Small Molecule Pharmaceutical Applications

MaxPeak Premier Solutions: Small Molecule Pharmaceutical Applications
  • Infographic

MaxPeak Premier Columns Non-Specific Adsorption

MaxPeak Premier Columns Non-Specific Adsorption
  • White Paper

Evaluation of the Robustness of MaxPeak High Performance Surfaces Columns

Evaluation of the Robustness of MaxPeak High Performance Surfaces Columns
  • Brochure

ACQUITY Premier Solution 

ACQUITY Premier Solution 
  • Brochure

MaxPeak Premier Columns Ordering Information

MaxPeak Premier Columns Ordering Information
  • Brochure

ACT Environmental Impact Labels for ACQUITY and CORTECS Premier Columns

ACT Environmental Impact Labels for ACQUITY and CORTECS Premier Columns
  • Infographic

MaxPeak Premier Columns for Small Molecule Analysis

MaxPeak Premier Columns for Small Molecule Analysis

Related

Optimize your liquid chromatography and mass spectrometry method performance and minimize the variability of your data to generate a consistent reportable result with Waters diverse solutions for method development.

Reduce lab data variability and prevent analyte-surface interactions with metal-sensitive analytes when you equip your workflows with Waters MaxPeak Premier Solutions and MaxPeak High Performance Surfaces (HPS) Technology.

Whether your lab is focused on small molecule discovery, process development or quality control, Waters has the small molecule analysis solutions to meet your pharmaceutical lab requirements.

Learn more about Small Molecule Research and Discovery.

Learn more about Small Molecule Research and Discovery.

With the Xevo TQ-XS System, you’ll get robust results you can trust with the most demanding sample matrices.
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