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IntelliXtract 2.0: Simplified Intelligent Component Extraction and Detection
EP25880
Poster Title: IntelliXtract 2.0: Simplified Intelligent Component Extraction and Detection
Submitted on 15 Jun 2017
Author(s): Anne Marie Smith, Richard Lee, Vitaly Lashin, Andrey Paramonov
Affiliations: ACD/Labs
This poster was presented at ASMS 2017
Poster Views: 1,260
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Poster Information
Abstract: The analysis of real-world samples is becoming increasingly complex and time-consuming. Scientists frequently use techniques, such as chromatography to aid in the separation of differing compounds and components. Liquid Chromatography-Mass Spectrometry (LC-MS) has been the primary platform for determination of differing components when chromatographic co-elution was inevitable.

Software can aid in simplifying the data-mining process and increase the speed of discovery. An earlier algorithm for component detection, named IntelliXtract (IX), implemented a method of extracted ion chromatograms (XICs) that were automatically generated and assigned a component number, thereby simplifying the analysis process, but was computationally demanding. Here we describe a simplified and more optimized algorithm based on the use of ion threads vs. XICs.
Summary: *Simplified detection and Component Extraction algorithm from LC-MS and GC-MS datasets
*New improved algorithm based on ion threads
*Reduced number of parameters to select for analysis
*Reduced false positives leading to reduced analysis time
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