Molecule Profiler

Molecule Profiler is a software tool from SCIEX designed for structural elucidation of a wide variety of molecules, with a focus on identifying impurities, biotransformations, and metabolites. It is built for scientists working across multiple molecule classes, including lipids, therapeutic oligonucleotides, small molecule drugs, peptide therapeutics, and antibody-drug conjugates (ADCs). The software is driven by MS and MS/MS data, enhanced with electron activated dissociation (EAD) and supported by extensive libraries.

Molecule Profiler is fully integrated within SCIEX OS mass spectrometry software, allowing acquisition and data analysis to occur within a single platform without the need to transfer data between separate applications.

Integration with SCIEX OS Software

• Molecule Profiler is a fully integrated application within SCIEX OS software, not a standalone product.
• Users can multitask with other SCIEX OS functions without moving data between applications.
• Integration reduces the number of software products required and lowers associated training requirements.

Molecule Class Coverage

• Supports impurity and biotransformation analysis across multiple molecule types: lipids, therapeutic oligonucleotides, small molecule drugs, peptide therapeutics, and antibody-drug conjugates (ADCs).
• Equipped with extensive libraries for synthetic impurities and biotransformation information.
• Capable of processing both collision induced dissociation (CID) and electron activated dissociation (EAD) data.
• Addresses both quality characterization of impurities and metabolite identification to support development workflows.

MS and MS/MS Confidence

• Many impurities and biotransformations produce isoelemental species that MS-only workflows cannot resolve; Molecule Profiler incorporates UV, MS, and MS/MS information to provide unambiguous results.
• The MS/MS engine is designed to handle complex fragmentation data from larger molecules such as lipids, oligonucleotides, and peptides.
• Processing time for complex MS/MS data can be reduced from days to hours.
• Users can build processing queues with multiple processing methods and controls, with individual result analyses completable in minutes.

Lipid and Lipid Nanoparticle (LNP) Analysis

• Supports full characterization of lipid raw materials and lipid nanoparticles (LNPs) to differentiate impurities such as oxidation from ionizable lipids, which can affect product safety and efficacy.
• Automatically processes both EAD and CID data to streamline lipid workflows.
• Helps ensure the quality of nucleic acid content, including mRNA, within LNPs.

Oligonucleotide Impurity and Biotransformation Analysis

• Addresses the large numbers of impurities that can arise from side reactions during oligonucleotide synthesis.
• Handles complex biotransformations resulting from high variability in sequence modifications.
• Provides off-the-shelf libraries for oligonucleotide impurities and biotransformations, with the ability to amend libraries as needed.
• Includes a comprehensive library developed in collaboration with Integrated DNA Technologies (IDT) to support sequence verification.

Small Molecule Metabolite Identification

• Automates metabolite identification using both CID and EAD data.
• Provides confident metabolite structure assignments to reduce time and cost in the laboratory.

Compatible Instruments

• ZenoTOF 7600 system: A high-resolution mass spectrometer featuring EAD fragmentation and the Zeno trap for precise MS and MS/MS data.
• X500B and X500R QTOF systems: LC-MS/MS systems designed for both characterization and quantitation workflows.

Molecule Profiler software is compatible with SCIEX high-resolution mass spectrometers and operates within the SCIEX OS software environment, supporting a unified acquisition and data analysis experience across instrument platforms.