Metabolomics

Metabolomics is the study of the complement of metabolites or small molecule chemical species that are the result of specific cellular processes within a cell, tissue, organ, or organism.  The metabolome changes constantly and is also affected by drugs, environmental chemicals, foods and beverages to which we are exposed. Thus, metabolomics studies can allow a more comprehensive view of a biological system by highlighting dynamic changes of important small molecules and by-products.  AB SCIEX offers two powerful approaches to metabolomics with unique instrumentation:  Non-targeted analysis and Targeted analysis.

Non-targeted analysis using the TripleTOF^TM 5600 System.

The non-targeted workflow can uncover and identify new compounds which could be key elements of pathways or putative biomarkers through use of unbiased/non-targeted MS triggered MS/MS workflows.

• Discover more metabolites, even using UHPLC, with the unmatched SmartSpeed^TM 100 Hz acquisition, EasyMass^TM accuracy (~1 ppm), and 30,000 resolution in MS and MS/MS modes.
• Identify compounds with powerful tools such as Formula Finder that use chemical logic to predict chemical formula based on accurate mass, MS/MS, and isotopic information
• Uncover changes using powerful informatics in MarkerView^TM  Software which can group samples based on common metabolites

Targeted analysis using the QTRAP® 5500 System

With targeted analysis, specific biological hypotheses can be tested by designing an MS experiment to detect and quantify a subset of analytes from biological systems.  This can be done on a standard triple quad mass spec, but a QTRAP system offers so much more.

• Highest sensitivity and accurate quantitation using MRM or MRM³ from the leaders in Triple Quad mass spectrometry
• High-sensitivity full scan MS/MS to confirm metabolite identity using unique TripleTrap^TM scanning of the QTRAP system and the integrated Linear Accelerator^TM Trap
• Identical source and collision cell design to the TripleTOF 5600 system for simple method transfer and accelerated results

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Fig. 1:  Formula Finder in PeakView® Software determines elemental composition and formula using precursor and MS/MS accurate mass data as well as isotopic information. + View Larger

AB SCIEX TripleTOFTM 5600 System for Metabolomics Research High Resolution and Accurate Mass Spectrometry with Paralleled QqQ-like Sensitivity and Quantitation The AB SCIEX TripleTOFTM 5600 System combines our leadership in high sensitivity triple quadrupole quantification with high resolution and accurate mass for comprehensive metabolite characterization. This new hybrid time-of-flight platform offers the capability of in-depth profiling metabolomics at high speeds without compromising resolution or sensitivity. Highest Sensitivity in MS and MS/MS modes High Resolution Greater than 30,000 in TOF MS Greater than 15,000 or greater than 30,000 in TOF MS/MS Fast Acquisition Rates Up to 100 MS/MS in a second or 50 MS/MS in a second in IDA mode High Mass Accuracy Less than 2 ppm RMS in complex samples Linear Dynamic Range Up to 4 orders Reliability 3-year standard warranty

To perform Non-Targeted Metabolomics Workflows use this combination: Instruments AB SCIEX TripleTOFTM 5600 System: The AB SCIEX TripleTOFTM 5600 System is the only Accurate mass instrument with the speed and sensitivity Of a triple quadrupole providing users with the ability to achieve high sensitivity quantification and advanced Qualitative capabilities for rapid structural identification and efficient metabolite analysis on a single platfom. Use this system for non-targeted approaches. Software PeakView® Version 1.0 Software: Use PeakView® Version 1.0 Software for exploration and qualitative processing of TripleTOFTM 5600 data. Use this software to analyze data from non-targeted research. MarkerViewTM 1.2.1 Software: This software contains powerful analytical tools to enable you to easily mine data resulting from both classified and non-classified workflows. Use interactive visual tools to help you exclude samples and variables, such as xenobiotic metabolites, before further analysis. Post-analysis reports allow you to easily track your work and record potential biomarkers. Use this software to analyze data from non-targeted research. To perform Targeted Metabolomics Workflows use this combination: Instruments AB SCIEX QTRAP® 5500 LC/MS/MS system: This next-generation technology is designed to excel at metabolite identification and targeted analysis as a result of uniting the world's most sensitive triple quadrupole with innovative Linear AcceleratorTM trap technology. Intelligent linking of the system's capabilities with TripleTrapTM scanning enables powerful and unique quantitative and qualitative workflows. Use this system for targeted approaches. Software MultiQuantTM Software: This powerful and easy-to-use quantitation package processes MRM data for quantitative information. The software enables you to process data for relative or absolute quantitation and is designed to handle many analytes and samples at the same time. Use this software to analyze data from targeted research.

View brochures, technical notes, webinars and videos about how we can help you analyze metabolites. Media Brochure Brochure: Metabolomics Brochure: MultiQuantTM Software Brochure: High resolution quant and qual: The TripleTOFTM 5600 System Brochure: AB SCIEX QTRAP® 5500 System: Above and Beyond the Extraordinary Tech Notes Tech Note: Simultaneous Peptide Quantitation and Identification using High Resolution MS: Profile Workflow on the AB SCIEX TripleTOFTM 5600 System Tech Note: MarkerViewTM Software for Metabolomic and Biomarker Profiling Analysis Video The QTRAP® 5500 LC/MS/MS System and Triple-TrapTM Scanning AB SCIEX TripleTOFTM 5600 System Next-Generation Performance for Proteomics Research AB SCIEX QTRAP® 5500 System MultiQuantTM Software Version 2.0: The Next Generation in Quantitative Data Processing