GEN-MKT-18-7897-A
Aug 28, 2015 | Blogs, Life Science Research, Metabolomics | 0 comments
In the field of metabolomics, you typically choose to identify and characterize as many compounds as possible in an unbiased fashion, or screen for a specific set of compounds that are biologically relevant to your research. The beauty of the TripleTOF® System is that you don’t have to choose which path to take. With one acquisition strategy, your data can be processed using either workflow.
This technical note demonstrates the latter workflow for screening a collection of known compounds using the Accurate Mass Metabolite Spectral Library. Here, extracted ion chromatograms are generated for all compounds in the library and confirmed based upon retention time matching, mass accuracy, isotope pattern fit, and MS/MS library searching. The metabolite library contains over 500 metabolites from many compound classes and across a variety of pathways such as the TCA cycle, BCAA degradation/synthesis, glycolysis, and the urea cycle. In this study, a variety of metabolites were identified in urine in both positive ion and negative ion mode analysis.
Figure:Transition to MarkerView Software for Statistical Analysis. Generate any principal component analysis (PCA) and drive your biological interpretation faster because results in the loadings plot are already identified (center right). Combine with t-test analysis and rank your significantly differential metabolites by p-value.
A powerful follow-on workflow involves opening the results within MultiQuant™ Software for in-depth quantitative analysis, or MarkerView™ Software for statistical analysis. Within MarkerView, multiple samples can be compared with one another. Because each compound has already been identified with the Accurate Mass Metabolite Spectral Library, biological similarities across samples are immediately apparent in the subsequent loadings plot (as opposed to having m/z-RT pairs).
Additionally, the comparative screening tool in MasterView™ Software enables the comparison of all the samples versus a control. This can be used to screen and quickly capture any major changes compared to a control/baseline sample.
As therapeutic pipelines continue to diversify, bioanalysis is being asked to do more than ever before. From small molecules to complex biologics, today’s scientists must generate high‑quality, reliable data across a growing range of molecule types and workflows, often under increasing time pressure.
Regulated laboratories are evolving faster than ever. New analytical modalities, higher sample throughput, increasing regulatory scrutiny, and leaner teams are reshaping how work gets done. At the same time, expectations for data integrity, standardization, and operational efficiency continue to increase complexity and/or scope. In this environment, LC-MS software is no longer simply an instrument control platform—it has become a critical part of a laboratory’s quality management system. The question is no longer whether your lab has changed, but whether your software has evolved to support the way regulated labs operate today, and if they are ready and able to meet the demands, they will face tomorrow.
Analyst software has long been a trusted foundation in regulated LC-MS laboratories—and for many, it still performs reliably today. But regulated environments are evolving faster than ever. As labs transition to Windows 11, strengthen cybersecurity policies, modernize IT infrastructure, and prepare for future compliance expectations, software decisions are no longer just about what works today—they’re about managing tomorrow’s risk. Analyst will not be supported on Windows 11. While some labs may continue operating in unsupported environments temporarily, the bigger question is: when that risk becomes reality, will your lab be reacting under pressure—or executing a planned mitigation strategy with confidence?
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