Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/195124
Type: Artigo de periódico
Title: Direct Sampling Tandem Mass Spectrometry (ms/ms) And Multiway Calibration For Isomer Quantitation.
Author: Zampronio, Cleidiane G
Gurden, Stephen P
Moraes, Luis Alberto B
Eberlin, Marcos N
Smilde, Age K
Poppi, Ronei J
Abstract: Direct sampling tandem mass spectrometry (MS/MS) was used for the quantitation of mixtures of the isomers 2-, 3- and 4-ethyl pyridine. The similarity between the analytes and the second-order nature of MS/MS data require the use of multivariate calibration techniques capable of handling multiway data. Multilinear PLS (N-PLS) was applied here, as well as the alternative technique of unfolding the data and using standard two-way PLS. Particular attention was paid to the optimal type of spectral preprocessing. Due to the presence of heteroscedastic noise the logarithmic transform of the spectra prior to calibration gives the best results. Predictions errors of the order of 10-15% were obtained, which compare well with other results found in the literature.
Subject: Calibration
Environmental Pollutants
Isomerism
Mass Spectrometry
Pyridines
Rights: aberto
Identifier DOI: 
Address: http://www.ncbi.nlm.nih.gov/pubmed/12195946
Date Issue: 2002
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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