Signature-Discovery Approach for Sample Matching of a Nerve-Agent Precursor Using Liquid Chromatography−Mass Spectrometry, XCMS, and Chemometrics
Author:
Affiliation:
1. Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352
Publisher
American Chemical Society (ACS)
Subject
Analytical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ac1003568
Reference19 articles.
1. Impurity Profiling of a Chemical Weapon Precursor for Possible Forensic Signatures by Comprehensive Two-Dimensional Gas Chromatography/Mass Spectrometry and Chemometrics
2. XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification
3. MetAlign: Interface-Driven, Versatile Metabolomics Tool for Hyphenated Full-Scan Mass Spectrometry Data Preprocessing
4. MZmine: toolbox for processing and visualization of mass spectrometry based molecular profile data
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