Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow

TrAC - Trends in Analytical Chemistry

Volumn 82, Issue , 2016, Pages 425-442

  Gorrochategui, Eva ^a   Jaumot, Joaquim ^a   Lacorte, Sílvia ^a   Tauler, Romà ^a  

^a INSTITUTE OF ENVIRONMENTAL ASSESSMENT AND WATER RESEARCH   (Spain)

Author keywords

Chemometric tools; Data analysis; Liquid chromatography; Mass spectrometry; Metabolomics; Target; Untarget

Indexed keywords

CLASSIFICATION (OF INFORMATION); CLUSTERING ALGORITHMS; DATA REDUCTION; INFORMATION ANALYSIS; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; SPECTROMETRY; TARGETS;

AMOUNT OF INFORMATION; CHEMOMETRIC TOOLS; HIGH DIMENSIONAL DATA; HIGH RESOLUTION MASS SPECTROMETRY; MASS SPECTROMETRY DATA; METABOLOMICS; SAMPLE CLASSIFICATION; UNTARGET;

DATA HANDLING;

BIOLOGICAL MARKER;

AUTOMATED PATTERN RECOGNITION; BIOINFORMATICS; CHEMOMETRIC ANALYSIS; DATA ANALYSIS; DATA ANALYSIS SOFTWARE; DATA PROCESSING; DISCRIMINANT ANALYSIS; HUMAN; INDEPENDENT COMPONENT ANALYSIS; INFORMATION PROCESSING; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; METABOLITE; METABOLOMICS; NONHUMAN; PARTIAL LEAST SQUARES REGRESSION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; REVIEW; SIGNAL PROCESSING;

EID: 84979695814     PISSN: 01659936     EISSN: 18793142     Source Type: Journal    
DOI: 10.1016/j.trac.2016.07.004     Document Type: Review

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