Facilitating high resolution mass spectrometry data processing for screening of environmental water samples: An evaluation of two deconvolution tools

Science of the Total Environment

Volumn 569-570, Issue , 2016, Pages 434-441

  Bade, Richard ^a   Causanilles, Ana ^b   Emke, Erik ^b   Bijlsma, Lubertus ^a   Sancho, Juan V ^a   Hernandez, Felix ^a   de Voogt, Pim ^b,c  

^a UNIVERSITAT JAUME I   (Spain)

^b KWR WATERCYCLE RESEARCH INSTITUTE   (Netherlands)

^c UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

Aquatic environment; Hidden target screening; High resolution mass spectrometry; Non target screening; Peak picking; Software

Indexed keywords

COMPUTER SOFTWARE; DATA HANDLING; DRUG PRODUCTS; EFFLUENTS; ISOMERS; MASS SPECTROMETRY; METABOLITES; SPECTROMETRY;

AQUATIC ENVIRONMENTS; HIDDEN TARGETS; HIGH RESOLUTION MASS SPECTROMETRY; NON-TARGET SCREENINGS; PEAK PICKING;

SCREENING;

BENZOCAINE; BENZOYLECGONINE; CAFFEINE; CARBAMAZEPINE; COCAINE; COTININE; GEMFIBROZIL; IBUPROFEN; IRBESARTAN; KETOPROFEN; LIDOCAINE; LINCOMYCIN; LOSARTAN; METOPROLOL; NAPROXEN; PARACETAMOL; PARAXANTHINE; PHENACETIN; PHENAZONE; PHENYTOIN; SALBUTAMOL; SULFAMETHOXAZOLE; TEMAZEPAM; THEOBROMINE; THEOPHYLLINE; TRIMETHOPRIM; VALSARTAN;

AQUATIC ENVIRONMENT; DATA PROCESSING; DATABASE; DECONVOLUTION; MASS SPECTROMETRY; METABOLITE; SOFTWARE;

AQUATIC ENVIRONMENT; ARTICLE; CENTRIFUGATION; CHEMICAL ANALYSIS; DATA ANALYSIS SOFTWARE; DATA PROCESSING; ELECTROSPRAY; ENVIRONMENTAL MANAGEMENT; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; PREDICTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; SOLID PHASE EXTRACTION; TANDEM MASS SPECTROMETRY; TEMPERATURE; WASTE WATER; WATER ANALYSIS; WORKFLOW; ANALYSIS; ENVIRONMENTAL MONITORING; PROCEDURES; SOFTWARE; WATER POLLUTANT;

ENVIRONMENTAL MONITORING; SOFTWARE; TANDEM MASS SPECTROMETRY; WATER POLLUTANTS, CHEMICAL;

EID: 84975789830     PISSN: 00489697     EISSN: 18791026     Source Type: Journal    
DOI: 10.1016/j.scitotenv.2016.06.162     Document Type: Article

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