Traditionally, in late stage discovery, the quantitative bioanalysis is performed on samples from PK studies while the in vivo metabolite identification is done in a second separate analysis and often on two different types of mass spec instruments. In order to provide a significant enhancement in speed and efficiency it becomes highly beneficial to conduct both the in vivo PK quantification and identification of the major metabolites on a single instrument platform.
The TripleTOFTM5600 has the speed, accuracy and resolution in both MS and MS/MS modes to enable simultaneous quantitation and metabolite identification from in vivo PK studies at therapeutics does levels. The unique ability to conduct real time multiple mass defect filtering on a chromatographic time scale means there is no need for a 2nd injection to acquire quality MS/MS data. MetabolitePilotTM Software facilitates the data processing and interrogation while MultiQuantTM Software can obtain the HRMS PK profiles of the parent and relative quanitification of metabolites in an efficient and simple manner.
With the AB SCIEX TripleTOFTM 5600 System it is possible to simultaneously conduct both quantitative PK analysis of the parent drug and its major metabolites, as well as the qualitative identification of the major metabolites, in a single analysis
Single injection workflow for both quantitative and qualitative data acquisition
Increase metabolite id workflow efficiency with real time multiple mass defect filtering for MS/MS
Automated batch processing for metabolite id at different PK time points
The AB SCIEX TripleTOFTM 5600 System with MetabolitePilotTM Software
Simultaneous in vivo PK & metabolite ID
State of the art high resolution accurate mass instrument with the speed, sensitivity and linearity to deliver triple quadrupole like quantitative performance and accurate mass metabolite identification within the same injection for true, high performance HRMS Quant/Qual workflows.
Innovative real time Multiple Mass Defect Filtering for increased workflow efficiency
Simultaneous HRMS Quant-Qual workflows
Single injection workflow to detect and characterize major metabolites
Neutral loss triggered IDA for enhanced metabolite ID experiments
High throughput relative quant of parent compound
MetabolitePilotTM Software for automated bacth processing for met id at multiple pK time points
One combination of offerings to help you perform in vivo PK and Metabolite ID analysis is below:
Instruments
AB SCIEX QTRAP® 5500 LC/MS/MS system: Next-generation technology which is designed to excel at nominal mass metabolite identification and low level quanititation. The result of uniting the world's most sensitive triple quadrupole with innovative Linear AcceleratorTM trap technology. TripleTrapTM scanning enables powerful and unique quantitative and qualitative workflows as well implement both targeted (pMRM) and non-targeted (MIMs) metabolite identification experiments.
The 4000 QTRAP® LC/MS/MS System: A high-performance linear ion trap and a high-sensitivity triple quad, all in one. Superior triple quadrupole performance, patented collisional focusing and linear ion trap technologies combine to maximize full scan MS and MS/MS sensitivity making it possible to idenitify more low-abundance metabolites through targeted (pMRM) and non-targeted (MIMs) metabolite identification experiments.
3200 QTRAP® LC MS/MS System: Offers the same powerful and innovative features that you have come top expect from true QTRAP technology along with outstanding value. The excellent sensitivity, superior dynamic range and reliability across a range of qualitative and quantitative workflows enables users to screen, identify and quanititate drug metabolites as well implement both targeted (pMRM) and non-targeted (MIMs) metabolite identification experiments.
Software
MetabolitePilotTM Software: Identify metabolites from accurate mass data fast and efficiently, with a workspace that supports confident decision-making. Employ multiple mass defect filtering for cleaner, more relevant data. Predict formulae with a high level of chemical intelligence. MetabolitePilot software supports the TripleTOF 5600 LC/MS/MS System, a high resolution, accurate mass platform for definitive metabolite detection.
LightSight® Software: In a few simple steps, highly optimized acquisition methods can be created to detect metabolites with unprecedented effectiveness. This allows for open access metabolite identification experiments on any QTRAP® system with minimal operator training. Non-mass spectrometric analog data (e.g. UV- or radioactive-detector chromatograms) can be simultaneously analyzed in LightSight® software v2.2.1, giving one the ability to correlate MS-based structural information with quantitative analog data. LightSight® Software supports all AB SCIEX QTRAP® and Triple Quadrupole mass spec workflows.
PeakviewTM Software: PeakviewTM Software has been optimized for acquiring and processing accurate mass data for multiple samples sets. Save time and resources in the data review process by applying processing parameters across large sample sets. View spectra from multiple samples simultaneously. Quickly identify metabolic soft spots through unambiguous elemental composition assignment by leveraging the FormulaFinder feature. Leverage structure based fragment interpretation for structural elucidation.
View brochures, technical notes, webinars and videos about how we can help you analyze metabolic stability.