title: Analysis of environmental samples by application of multivariate curve resolution on fused high-performance liquid chromatography-diode array detection mass spectrometry data.
abstract: Multivariate curve resolution-alternating least squares (MCR-ALS) is applied to solve coelution problems in liquid chromatograpy with diode array detection (DAD) and mass spectrometry (MS). Fusion of DAD and MS detector signals improved results versus those obtained using only one of the two detector signals. Application of wavelet transform to MS data before its fusion with DAD data, further help to facilitate the resolution and quantitation of the coeluted compounds under study, besides a decrease of time of analysis. Mixtures of biocide compounds in standard mixtures and in environmental samples (sediment and wastewater samples) were analyzed with estimated quantitation errors below 12%.
authors.affiliation: Department of Analytical Chemistry, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain. emma@apolo.qui.ub.es
authors.forename: Emma
authors.initials: E
authors.lastname: Peré-Trepat
authors.forename: Romà
authors.initials: R
authors.lastname: Tauler
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D016018:Least-Squares Analysis; D013058:Mass Spectrometry / Q000379:methods*; D015999:Multivariate Analysis; D015203:Reproducibility of Results