MetAlignID: A high-throughput software tool set for automated detection of trace level contaminants in comprehensive LECO two-dimensional gas chromatography time-of-flight mass spectrometry data

Journal of Chromatography A

Volumn 1263, Issue , 2012, Pages 169-178

  Lommen, Arjen ^a   van der Kamp, Henk J ^a   Kools, Harrie J ^a   van der Lee, Martijn K ^a   van der Weg, Guido ^a   Mol, Hans G J ^a  

^a WAGENINGEN UNIVERSITY   (Netherlands)

Author keywords

Contaminants; GC GC; MetAlign; MetAlignID; Pesticides; TOF MS

Indexed keywords

AUTOMATED DETECTION; AUTOMATED IDENTIFICATION; BATCH-WISE; COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY; DATA SETS; EXCEL; HIGH-THROUGHPUT; MASS SPECTROMETRIC DETECTION; METALIGN; METALIGNID; MULTIPLE DATA; MULTITHREADED; NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY; PLANT SAMPLES; PRE-PROCESSING; PROCESSOR CORES; PROPRIETARY SOFTWARE; QUANTITATIVE ESTIMATES; RAW DATA FILES; REDUCED DATA; SCREENING METHODS; SCREENING PERFORMANCE; TARGET COMPOUND; TIME OF FLIGHT MASS SPECTROMETRY; TOF-MS; TRACE LEVEL; TWO DIMENSIONAL GAS CHROMATOGRAPHY;

AUTOMATION; COMPUTER SOFTWARE; GAS CHROMATOGRAPHY; IMPURITIES; MASS SPECTROMETERS; MASS SPECTROMETRY; PERSONAL COMPUTERS; PESTICIDES; SCREENING;

DATA HANDLING;

PESTICIDE; TRACE ELEMENT;

ARTICLE; AUTOMATION; COMPUTER; COMPUTER PROGRAM; DATA ANALYSIS; GAS CHROMATOGRAPHY; PLANT; PRIORITY JOURNAL; QUALITY CONTROL; SCREENING TEST; SOIL POLLUTANT; TIME OF FLIGHT MASS SPECTROMETRY; TWO DIMENSIONAL GAS CHROMATOGRAPHY;

ALGORITHMS; AUTOMATION; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; LIMIT OF DETECTION; SOFTWARE;

EID: 84867441835     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2012.09.056     Document Type: Article

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