Processes targeted mass spectrometry (MS) data. XCMS-MRM is a cloud-based data-analysis platform that integrates the repository METLIN-MRM for streamline experimental design, data processing, analysis and data sharing for targeted small-molecule analysis by MS. The software integrates quantitative and statistical data analyses that can facilitate the translational and cooperative use of MS.
Allows metabolome analysis of large-scale multiple reaction monitoring (MRM) assays. MRMPROBS is a universal program for targeted metabolomics using multiple reaction monitoring (MRM)- or selected reaction monitoring (SRM), as well as SCAN and data independent tandem mass spectrometry (MS/MS) acquisition (DIA) data. The software was developed for metabolomics but can also be applied to lipidomics and proteomics studies.
Allows peak identification, prediction, and data integration of MetAlign results. AIoutput is a non-targeted and targeted analysis software developed for Gas chromatography coupled to mass spectrometry (GC/MS) based metabolomics
A software tool for the efficient and automatic analysis of GC/MS-based metabolomics data. Starting with raw MS data, MetaboliteDetector detects and subsequently identifies potential metabolites. Moreover, a comparative analysis of a large number of chromatograms can be performed in either a targeted or nontargeted approach. It automatically determines appropriate quantification ions and performs an integration of single ion peaks. The analysis results can directly be visualized with a principal component analysis. Since the manual input is limited to absolutely necessary parameters, the program is also usable for the analysis of high-throughput data. However, the intuitive graphical user interface of MetaboliteDetector additionally allows for a detailed examination of a single GC/MS chromatogram including single ion chromatograms, recorded mass spectra, and identified metabolite spectra in combination with the corresponding reference spectra obtained from a reference library. MetaboliteDetector is able to import GC/MS data in NetCDF and FastFlight format.
A powerful chemometrics platform designed to exploit the high information content of MS data and can be used in any MS-based differential analysis to determine relationships among two or more sample groups and variables. MPP provides advanced statistical analysis and visualization tools for GC/MS, LC/MS, CE/MS and ICP-MS data analysis. MPP also integrates smoothly with Agilent MassHunter Workstation, Spectrum Mill and ChemStation software and is the only platform that provides integrated identification/annotation of compounds and integrated pathway analysis for metabolomic and proteomic studies. The system also enables automated sample class prediction that revolutionizes mass spectrometer-based qualitative analysis of unknown samples in many applications.
Offers library searching of data generated from any Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas chromatography-mass spectrometry (GC-MS) platform. AnalyzerPro is a commercial and comprehensive post-processing utility for low and high-resolution LC-MS and GC-MS data with multi-vendor data support. It also provides optimized workflows for sample-to-sample comparison, target component analysis, quantification.
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