title: UV-MALDI mass spectrometric quantitation of uracil based pesticides in fruit soft drinks along with matrix effects evaluation.
abstract: This study focused on the development of the accurate and precise quantitative method for the determination of pesticides bromacil (1), terbacil (2), lenacil (3), butafenacil (4) and flupropacil (5) in fruit based soft drinks. Three different types of drinks are bought from market; huddled orange fruit drink (100%) (I), red-oranges (II) and multivitamin drink containing strawberry, orange, banana and maracuja (III). Samples were analyzed "with" and "without" pulp utilizing LC-ESI (or APCI) MS/MS, HPLC-ESI-(or APCI)-MS/MS and UV-MALDI-Orbitrap-MS methods. The effect of high complexity of the food matrix on the analysis was discussed. Study focuses on the advantages of the UV-MALDI-Orbitrap-MS method compared to the traditionally involved GC alone or hybrid methods such as GC-MS and LC-MS/MS for quantification of pesticides in water and soft drinks. The developed method included the techniques performed for validation, calibration and standardization. The target pesticides are widely used for the treatment of citrus fruits and pineapples, but for soft drink products, there are still no clear regulations on pesticide residues limits. The matrix effects in the analysis of fruit drinks required implementation of the exact standard reference material corresponds to the variety of food matrices. This paper contributed to the broad analytical implementation of the UV-MALDI-Orbitrap-MS method in the quality control and assessment programs for monitoring of pesticide contamination in fruit based sodas.
authors.affiliation: Lehrstuhl für Analytische Chemie, Institut für Umweltforschung, Fakultät für Chemie, Universität Dortmund, Otto-Hahn-Strasse 6, 44227 Dortmund, Nordrhein-Westfalen, Germany. Electronic address: B.Ivanova@infu.uni-dortmund.de.
authors.forename: Bojidarka
authors.initials: B
authors.lastname: Ivanova
authors.affiliation: Lehrstuhl für Analytische Chemie, Institut für Umweltforschung, Fakultät für Chemie, Universität Dortmund, Otto-Hahn-Strasse 6, 44227 Dortmund, Nordrhein-Westfalen, Germany.
authors.forename: Michael
authors.initials: M
authors.lastname: Spiteller
mesh_terms: D002138:Calibration; D002253:Carbonated Beverages / Q000032:analysis*; D005504:Food Analysis / Q000379:methods* / Q000592:standards; D005506:Food Contamination / Q000032:analysis*; D005638:Fruit; D010575:Pesticides / Q000032:analysis*; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization; D014498:Uracil / Q000032:analysis*
chemical_list: D010575:Pesticides; D014498:Uracil
keywords: (heteronuclear) multibond correlation spectroscopy (NMR processing mode); (homonuclear) correlation spectroscopy (NMR processing mode); 2,4-dihydroxy benzoic acid; 2,5-dihydroxy benzoic acid; ADIs; ANOVA; AOELs; APCI; Acceptable daily intake; B3LYP; B3PW91; Becke, three-parameter, Lee–Yang–Parr quantum chemical method (functional); COZY; Chemometrics; DHA; DHB; ESI; Fruit soft drinks; G; GC; GP; Glu; HMBC; HPLC; HSQC; Hex; LC; LMW; LODs; LOQs; M06-2X; MALDI; MLODs; MLOQs; MS; MS/MS; Mass spectrometry; McL; McLafferty rearrangment (mass spectrometric term); Meta hybrid GGA quantum chemical method (functional); NMR; PCM; PO; Quantitation; RA; RTs; Suc; TOF; UV; Uracil based pesticides; acceptable operator exposure levels; analysis of variance; atmospheric pressure chemical ionization (mass spectrometric method); concentration limit of detection (analyte); concentration limit of quantitation (analyte); concentration method detection limit (instrumental); concentration method quantitation limit (instrumental); electrospray ionization (mass spectrometric method); gas-chromatography; gas-phase; glucose; heteronuclear single quantum coherence (NMR processing mode); hexose; high performance liquid chromatography; liquid chromatography; low molecular weight (analytes); mass spectrometry; mass spectrometry in a tandem mode of operation; matrix/assisted laser desorption ionization (mass spectrometric method); nuclear magnetic resonance; polarizable continuum model (quantum chemical method); polynomial order; quantum chemical method (functional); quartet–guanine quartet; relative abundance; retention times; sucrose; time-of-flight (mass spectrometric method); ultraviolet (irradiation)