title: Quantitative identification of pesticides as target compounds and unknowns by spectral deconvolution of gas chromatographic/mass spectrometric data.
abstract: The results of gas chromatography/mass spectrometry (MS), with Ion Signature Technology, Inc. (North Smithfield, RI) quantitative deconvolution software, are discussed for pesticides identified both as target compounds by using retention and MS data and as unknowns by using only mass spectra. Target compound analysis of 32 pesticides, surrogates, and an internal standard added to lemon oil over a wide concentration range produced precision and accuracy that are well within the acceptable criteria of 25 and 50% for complex samples. When 112 pesticides were added to orange oil and searched as unknowns, 110 of the 112 compounds were correctly identified, with an average pesticide recovery of 101 +/- 19%. The injection volume of the orange oil fortified with pesticides was selected so that 4 ng per compound was injected on column. No false negatives were found, because ion signals for the 2 unidentified pesticides were not acquired by the instrument in either the standard mixture or the oil. No false positives were detected, although >750 widely different compounds were included in the library search.
authors.affiliation: Tufts University, Chemistry Department, 62 Talbot Ave, Medford, MA 02155, USA. albert.robbat@tufts.edu
authors.forename: Albert
authors.initials: A
authors.lastname: Robbat
authors.forename: Andreas
authors.initials: A
authors.lastname: Hoffmann
authors.forename: Kevin
authors.initials: K
authors.lastname: MacNamara
authors.forename: Yongli
authors.initials: Y
authors.lastname: Huang
mesh_terms: D002138:Calibration; D003627:Data Interpretation, Statistical; D005374:Filtration; D008401:Gas Chromatography-Mass Spectrometry; D010575:Pesticides / Q000032:analysis*; D010938:Plant Oils / Q000032:analysis; D011786:Quality Control; D012015:Reference Standards; D012984:Software
chemical_list: D010575:Pesticides; D010938:Plant Oils; C501365:lemon oil