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Application fields
Expression Proteomics
Quantative Proteomics
BioMarker Discovery &
Metabonomics
Drug Metabolite Profiling
Impurity & Degradation
Profiling
News
All major vendors now supported: recently added vendors: Bruker, Agilent MassHunter...read more
Enhancement of Peptide
Coverage: Detect important peaks having no
MS/MS Spectra… read more |
| Impurity & Degradation Profiling
Impurity Profiling - Degradation Profiling - Peak Purity Analysis - Batch Comparison
The identification and qualification of impurities and/or degradants in pharmaceuticals is critical in terms of product efficacy and drug safety. Regulatory bodies, such as the U.S. Food and Drug Administration (FDA), and the International Congress on Harmonization (ICH) have established clear and rigorous guidelines for setting thresholds for the reporting, identification, and qualification of impurities in drug substances and drug products.
MsXelerator® is ideally suited to detect and identify low-level impurities from Impurity Profiling or Stress Testing studies. Peak detection is performed in just a few seconds. The full 2D LC/MS data set is searched for significant chromatographic peaks. After Peak Picking, MsXelerator offers a large set of utilities to further explore and enhance your results.
New:
Apply MS Compare to view and compare many batches or samples simultaneously using a set of very powerful graphical tools. |
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Peak Detection Full Dataset Automated Processing |
- Convert detected peaks into pure components: remove 13C isotopes, adducts and fragments in one step. Run peak detection on hundreds of samples simultaneously using the Batch Manager.
- Overlay MS and UV Data. Apply powerful alignment techniques to correct for time shifts between samples. Align both MS and UV data individually but also correct for offset differences between both detectors.
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Figure 1: Fast Peak Detection using Mpeaks |
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- Automatically identify degra-dation products. Build user specified lists for your own products.
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Figure 2: Automatically identify degradation products |
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- Use Peak Clustering to perform Peak Purity Analysis on the major component. Detect co-eluting peaks in seconds. View all results in interactive mode (LC/MS and GC/MS).
- Pre-Processing: choose from many available algorithms like: Baseline Correction, De-Spiking, Smoothing and Alignment.
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Figure 3: Determine and view co-eluting peaks |
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- Need to find differences between two batches: apply MsXelerator’s Differential Analysis to check one batch against a reference batch and show all differences in seconds.
- Comparing 10-20 batches simultaneously can be done using MS Compare (MS and UV). Click on any peak in the Total Ion Current and all EIC’s will be extracted immediately.
Impurity Profiling on 10-20 samples will take no more then 10 minutes. Detect all your minor peaks and create reports in a fraction of the time you used to spend on these studies.
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| Figure 4: Compare Batches using MS Compare |
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- Visualization using MS Compare:
- Interactive plots of TIC/EIC, BPC/EIC or UV/EIC: Click and Identify.
- View series of samples simultaneously in different (group) colors.
- Plot extracted ion currents and mass spectra at any resolution.
- Extract TIC’s or BPC’s over small mass or time ranges.
- Create Peak Tracking Plots for Liquid Chromatography Method Optimisation.
- View data in 3-D, plot Heatmaps or apply Multivariate techniques like PCA and Clustering.
And many more…… |
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