DynamicClusterAnalysis by MetaLabs
DynamicClusterAnalysis is an advanced method designed to identify and characterize A+2 (Cl, Br, S, etc.) element-containing compounds in complex mass spectrometric data. This approach enhances the interpretation of high-resolution liquid chromatography–mass spectrometry (LC-HRMS) datasets by focusing on molecular features that correspond to specific elemental compositions.
Key Features
- Elemental Composition Targeting: Specifically identifies compounds containing A+2 elements, facilitating the study of isotopic patterns and molecular structures.
- Unbiased Clustering: Employs a dynamic isotope clustering algorithm that does not rely on predefined classes, allowing for the discovery of novel compounds without prior assumptions.
- High-Resolution Data Utilization: Optimized for use with high-resolution time-of-flight mass spectrometry data, ensuring accurate and detailed molecular analysis.
Applications
Dynamic Cluster Analysis is particularly useful in metabolomics and environmental chemistry, where complex mixtures require precise identification of specific molecular species. By isolating compounds with A + 2 elements, researchers can gain deeper insights into the composition and dynamics of biological and environmental samples.
Publication
Published in Analytical Chemistry:
Dynamic cluster analysis to identify and characterize A+2 element-containing compounds in high-resolution LC-MS data
Authors: Aaron John Christian Andersen, Per Juel Hansen, Kevin Jørgensen, Kristian Fog Nielsen
Download
Click below to download the latest version of DynamicClusterAnalysis for Windows:
Download DynamicClusterAnalysis v1.10Downloads: Loading...
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C88893D90C8C4DDF12065F2152252749544797DF106FC5C8E6EA83C4760F3231
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Windows:
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