Construction of confidence regions for isotopic abundance patterns in LC/MS data sets for rigorous determination of molecular formulas

Analytical Chemistry

Volumn 82, Issue 17, 2010, Pages 7319-7328

  Ipsen, Andreas ^a   Want, Elizabeth J ^a   Ebbels, Timothy M D ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL FORMULAE; CHLORINE ATOM; CHROMATOGRAPHIC PEAKS; CONFIDENCE REGION; DATA SETS; FALSE POSITIVE; FURTHER DEVELOPMENT; ION COUNTS; ISOTOPIC ABUNDANCES; ISOTOPOLOGUES; LIQUID CHROMATOGRAPHY/MASS SPECTROMETRY; MASS SPECTRA; METABOLIC DATA; METABOLIC PROFILING; MODEL ASSUMPTIONS; MOLECULAR FORMULA; OBSERVED DATA; ROBUST STATISTICAL METHOD; STATISTICAL ANALYSIS; STATISTICAL POWER;

BROMINE; CHLORINE; ISOTOPES; MASS SPECTROMETRY; METABOLISM; OLIGOMERS; STATISTICAL METHODS;

HEURISTIC METHODS;

3 NITROTYROSINE; 3-NITROTYROSINE; CHENODEOXYCHOLIC ACID; DRUG DERIVATIVE; HIPPURIC ACID; HIPPURIC ACID DERIVATIVE; ION; TYROSINE;

ARTICLE; CHEMISTRY; CONFIDENCE INTERVAL; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; METABOLOME; METHODOLOGY; THEORETICAL MODEL;

CHENODEOXYCHOLIC ACID; CHROMATOGRAPHY, LIQUID; CONFIDENCE INTERVALS; HIPPURATES; IONS; MASS SPECTROMETRY; METABOLOME; MODELS, THEORETICAL; TYROSINE;

EID: 77956253935     PISSN: 00032700     EISSN: None     Source Type: Journal    
DOI: 10.1021/ac101278x     Document Type: Article

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