MsXelerator
Category Proteomics>Mass Spectrometry Analysis/Tools
Abstract MsXelerator® is a fast and comprehensive software product for the processing of Liquid Chromatography/Mass Spectrometry (LC/MS) data, with expandability to other types of data such as Gas Chromatography/Mass Spectrometry (GC/MS) or capillary electrophoresis/mass spectrometry (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 analyzing complex LC/MS data coming from a number of ‘application areas’.
Product can be used for Impurity and Degradation Profiling, Metabolite Profiling, Differential Analysis, Metabonomics, Proteomics (Quantitative), and Biomarker Discovery.
MsXelerator is comprised of four (4) modular packages; Browser - Interactive Impurity Profiling & Data Exploration; MPeaks - Peak Picking; IPeaks - Isotope Match; and MS Compare - Biomarker Discovery & MS Profiling; each of which contains 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 type files.
Many problems encountered in the above application 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.
Product features/capabilities are described below:
1) Peak Detection - Full Dataset Automated Peak Picking and Processing --
- a) Use MPeak’s fast and sensitive peak picking algorithm; in accurate or nominal mass mode.
- b) 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 peak-height or any of the other peak parameters.
- c) Pre-Processing: apply Baseline Correction, De-Spiking, Smoothing, Alignment or Mass Defect Filtering to enhance the quality of your data.
- d) Find and delete Adduct Peaks: Na, K or search for user specified adducts.
- e) Data mine results from peak picking, convert peaks to components, create de-isotoped peak list, detect and remove peaks also present in control or blank sample.
- f) Automatically identify Metabolite and Degradation products.
- g) Automation: run peak detection using the above options on a large series of samples. Export results to text files and Excel.
2) Proteomics - Analyze your data from label free experiments or apply IPeaks for exact quantitation of Stable Isotope Labeled experiments --
- a) Run chromatographic peak detection, de-isotope all peaks and determine charge states in one run.
- b) Apply Differential Analysis between two samples to detect differentially expressed peaks. Automatically use Local Alignment to correct for time shifts.
- c) Use IPeaks to analyze or search for Stable Isotope Labeled peaks based on raw data: (stable isotope labeling by amino acids in cell culture) SILAC, 14N/15N, 16O/18O, ICAT, MIDAR. Create user defined isotope patterns.
- d) Link Full Scan detected peaks with results from Mascot (see G6G Abstract Number 20087).
- e) Run peak detection and determine which peaks were Not selected for Tandem Mass Spectrometry (MS/MS). Create inclusion lists for second run analysis. This method will increase the number of proteins identified and their coverage.
3) Alignment - Correct non-linear Time Shifts in Chromatograms --
- a) Align your data using one of the four (4) available alignment algorithms: Offset Correction, Cross Correlation, Correlation Optimized Warping (COW) or Reference Peak Warping (RPW).
- b) View results before and after alignment. Apply Biomarker Discovery using non-peak detection methods after correcting your data for time shifts.
- c) Create user defined synthetic BPC’s to simplify peak warping.
4) Biomarker Discovery - Comparison and detection of unique differences between groups of samples based on Mass Chromatograms or Mass Spectra; Batch Comparison and Metabolite Profiling --
- a) 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.
- b) Click and Identify.
- c) Use MS Compare to perform Batch Comparison in Impurity Profiling, creating impurity-profiling reports in just a few minutes. Combine MS with ultraviolet (UV) data.
- d) Pre-process your data including 4 different alignment methods.
- e) Multivariate Analysis: Principal Component Analysis (PCA) and Clustering. f) Export results to Excel.
5) Visualization using MS Compare --
- a) Interactive plots of TIC/EIC, BPC/EIC or UV/EIC: Click and Identify.
- b) 3-dimensional views, Heatmaps for one and two samples (subtract).
- c) Principal Component Analysis (PCA) & Clustering; Search for unique Peaks.
- d) BioMarker Surface Maps.
- e) View Mass Chromatograms and Mass Spectra (Local or Full).
- f) Create Peak Tracking Plots (LC Method Optimization).
6) Service and Support - Support from MsMetrix Professional Services --
- a) MsMetrix Professional Service can help you customize and integrate MsXelerator with your current research and existing bioinformatic tools.
- b) Specialists provide custom training.
- c) MsMetrix offers the possibility to create custom made applications based on user requirements.
System Requirements
Contact manufacturer.
Manufacturer
- MsMetrix
- Maarssen, The Netherlands
- Tel: +31 649720609
- For general inquiries: info@msmetrix.com
- For product and ordering information: sales@msmetrix.com
- For user support: support@msmetrix.com
- For product training: training@msmetrix.com
Manufacturer Web Site MsXelerator
Price Contact manufacturer.
G6G Abstract Number 20410
G6G Manufacturer Number 104040