DiscoveryQuant

DiscoveryQuant software is a bioanalytical workflow tool developed by SCIEX for LC–MS method development in high-throughput early ADME (absorption, distribution, metabolism, and excretion) studies. It is designed for bioanalytical scientists working with both small molecule drugs and peptide- and protein-based biotherapeutics in complex biological matrices, with the goal of reducing method development cycle times without compromising data integrity.

The software covers the full quantitative workflow, from compound optimization through to sample analysis, and is intended for use across multiple labs and sites within an organization to maintain method consistency from discovery through to development.

Core Capabilities

• Automates MRM tuning and optimization, yielding multiple MRM conditions for sensitive quantitative assay development and eliminating manual compound parameter optimization.
• The Optimize module enhances compound-dependent parameters for up to 7 MRM transitions via flow injection analysis and populates a database with these parameters, reducing typical compound tuning and optimization time to approximately 30 seconds per compound.
• Supports optimization and analysis of hundreds of small and/or large molecules in a single workflow.
• Enables transition from small molecule method development to biotherapeutic assays, with combined workflows that handle a variety of molecule types.
• Provides real-time peptide y- and b-ion labeling for sequence confirmation during peptide MRM optimization.
• Includes a peptide editor that handles custom amino acid side chain modifications.

ChromaTune Feature

• Automates on-column MRM verification by enabling sample analysis on multiple column chemistries and gradient conditions during the earliest phase of MRM optimization.
• Helps identify interferences and reduce failures in complex matrices before real-sample analysis downstream.
• Provides quick review data screens to increase workflow efficiency at each step of the optimization process.

Data Review and Reporting

• Allows visualization of all injections from a study on a single plot to support trend analysis.
• Supports customizable tables to suit different reporting formats.
• Enables export of data to a LIMS system for final report generation and information sharing across multiple labs.

Enterprise and Workflow Integration

• Functions as a single software solution deployable across any SCIEX LC-MS lab within an organization, supporting globally connected discovery environments with multiple labs and sites.
• Includes compound library storage that allows users to share and retrieve compound data from a structured environment.
• Compatible with SCIEX hardware including Triple Quad, TripleTOF, and QTRAP systems.
• Integrates within the broader SCIEX software ecosystem alongside SCIEX OS software, LipidView software, and SWATH Acquisition 2.0.