MsXelerator® is an extremely fast and comprehensive software product for processing of LC/MS data, with expandability to other types of data such as GC/MS or CE/MS.
Modern LC/MS experiments present researchers with a wealth of data. Processing the data and finding the answers to specific question requires a substantial investment of time and resources from researchers who wish to derive meaningful conclusions from their data.
The MsXelerator® software suite empowers you to save valuable time analysing complex LC/MS data coming from a number of application areas.
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- Impurity and Degradation Profiling
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Metabolite Profiling
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Differential Analysis
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Metabonomics
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Proteomics (Quantitative) and
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Biomarker Discovery
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Figure 1: 3-dimensional view of a number of
differential peaks not found in the control sample |
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MsXelerator is comprised of four modular packages, each of which contain of a number of unique algorithms unparalleled in speed, sensitivity and ease of use. Importing can be done directly from Xcalibur, Masslynx, NetCDF, mzXML or ASCII. Many problems encountered in the above areas can be solved using MsXelerator; new algorithms/methods are continuously being added to the program, especially in the area of Metabonomics and Biomarker Discovery.
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What’s New
To review the list of new enhancements or all features, download our PDF:
MsXelerator_features
Software Features
The following features are described below:
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Full Dataset Automated Peak Picking and Processing |
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Analyse your data from label free experiments or apply IPeaks for exact quantitation of Stable Isotope Labeled experiments |
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Correct non-linear Time Shifts in Chromatograms |
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Comparison and detection of unique differences between groups of samples based on Mass Chromatograms or Mass Spectra. Batch Comparison and Metabolite Profiling |
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Plot TIC/BPC/EIC/UV in Line-, Matrix- or Dot plots.
Create Heatmaps, apply Principal Component Analysis and Clustering.
Search for unique BioMarkers and create overview using Surface Maps.
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Support from MsMetrix Professional Service |
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Peak Detection
- Use MPeak’s fast and sensitive peak picking algorithm in accurate or nominal mass mode.
- Quickly switch between Mass Chromatogram or Mass Spectrum views. Create interactive result plots in line, matrix or dot plot mode, sorted on retention time, m/z value or peakheight or any of the other peak parameters.
- Pre-Processing: apply Baseline Correction, De-Spiking, Smoothing, Alignment or Mass Defect Filtering to enhance the quality of your data.
- Find and delete Adduct Peaks: Na, K or search for user specified adducts.
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Full Dataset Automated Processing
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- Data mine results from peak picking, convert peaks to components, create de-isotoped peak list, detect and remove peaks also present in control or blanc sample.
- Automatically identify Metabolite and Degradation products.
- Automation: run peak detection using the above options on large series of samples. Export results to text files and Excel.
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Proteomics
- Run chromatographic peak detection, de-isotope all peaks and determine charge states in one run.
- Apply Differential Analysis between two samples to detect differentially expressed peaks. Automatically use a Local Alignment to correct for time shifts.
- Use IPeaks to analyse or search for Stable Isotope Labeled peaks based on raw data: SILAC, 14N/15N, 16O/18O, ICAT, MIDAR. Create a user defined isotope patterns.
- Link Full Scan detected peaks with results from Mascot.
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IPeaks: 16O/18O Isotope Labeled Peak Detection
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- Run peak detection and determine which peaks were not selected for MSMS. Create inclusion lists for second run analysis. The method will increase the number of proteins identified and their coverages.
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Alignment
- Align your data using one of the four available alignment algorithms: Offset Correction, Cross Correlation, Correlation Optimised Warping (COW) or Reference Peak Warping (RPW).
- View results before and after alignment. Apply Biomarker Discovery using non-peak detection methods after correcting your data for time shifts.
- Create user defined synthetic BPC’s to simplify peak warping.
| Reference Peak Warping Result – Before and After
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BioMarker Discovery
- Define groups of samples and detect unique differences based on scanning all 2D-surfaces. Use Local Screening of Mass Chromatograms and Mass Spectra to detect differences.
- Click and Identify.
- Use MS Compare to perform Batch Comparison in Impurity Profiling, creating impurity-profiling reports in just a few minutes. Combine MS with UV data.
- Pre-process your data including 4 different alignment methods.
- Multivariate Analysis: PCA and Clustering.
- Export results to Excel.
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BioMarker Surface Map showing unique features
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Visualization using MS Compare
- Interactive plots of TIC/EIC, BPC/EIC or UV/EIC: Click and Identify.
- 3-dimensional views, Heatmaps for one and two samples (subtract).
- Principal Component Analysis and Clustering. Search for unique Peaks.
- BioMarker Surface Maps.
- View Mass Chromatograms and Mass Spectra (Local or Full).
- Create Peak Tracking Plots (LC Method Optimisation)
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Service and Support
- MsMetrix Professional Service can help you customize and integrate MsXelerator with your current research and existing bioinformatic tools.
- Specialists provide custom training.
- MsMetrix offers the possibility to create custom made applications based on user requirements.
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