title: Enantioselective determination of triazole fungicide simeconazole in vegetables, fruits, and cereals using modified QuEChERS (quick, easy, cheap, effective, rugged and safe) coupled to gas chromatography/tandem mass spectrometry.
abstract: A rapid and effective method for enantioselective determination of simeconazole enantiomers in food products (cucumber, tomato, apple, pear, wheat and rice) has been developed. The enantiomers were resolved by capillary gas chromatography (GC) using a commercial chiral column (BGB-172) and a temperature program from 150°C (held for 1 min) and then raised at 10°C min(-1) to 240°C (held for 10 min). This enantioselective gas chromatographic separation was combined with a clean-up/enrichment procedure based on the modification of QuEChERS (quick, easy, cheap, effective, rugged and safe) method. Co-extractives were removed with graphitized carbon black/primary secondary amine (GCB/PSA) solid-phase extraction (SPE) cartridges using acetonitrile:toluene (3:1, v/v) as eluent. Gas chromatography/ion trap mass spectrometry (GC-ITMS) with electron ionization (EI) was then used for qualitative and quantitative determination of the simeconazole enantiomers. Two precursor-to-product ion transitions (m/z 121-101 and 195-153) with the best signal intensity were chosen to build the multiple-reaction monitoring (MRM) acquisition method. The limits of detection for each enantiomer of simeconazole in six food products ranged between 0.4 and 0.9 μg kg(-1), which were much lower than maximum residue levels (MRLs) established by Japan. The methodology was successfully applied for the enantioselective analysis of simeconazole enantiomers in real samples, indicating its efficacy in investigating the environmental stereochemistry of simeconazole in food matrix.
authors.affiliation: Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Key Laboratory of Pesticide Chemistry and Application, Ministry of Agriculture, Beijing, 100193, China. lijing2011@gmail.com
authors.forename: Jing
authors.initials: J
authors.lastname: Li
authors.forename: Fengshou
authors.initials: F
authors.lastname: Dong
authors.forename: Jun
authors.initials: J
authors.lastname: Xu
authors.forename: Xingang
authors.initials: X
authors.lastname: Liu
authors.forename: Yuanbo
authors.initials: Y
authors.lastname: Li
authors.forename: Weili
authors.initials: W
authors.lastname: Shan
authors.forename: Yongquan
authors.initials: Y
authors.lastname: Zheng
mesh_terms: D000935:Antifungal Agents / Q000032:analysis; D002849:Chromatography, Gas / Q000379:methods*; D002523:Edible Grain / Q000737:chemistry*; D005504:Food Analysis / Q000379:methods*; D005506:Food Contamination / Q000032:analysis; D005638:Fruit / Q000737:chemistry*; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods; D057230:Limit of Detection; D010573:Pesticide Residues / Q000032:analysis; D011786:Quality Control; D012680:Sensitivity and Specificity; D052616:Solid Phase Extraction; D053719:Tandem Mass Spectrometry / Q000379:methods*; D014230:Triazoles / Q000032:analysis*; D014297:Trimethylsilyl Compounds / Q000032:analysis*; D014675:Vegetables / Q000737:chemistry*
chemical_list: C494052:2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol; D000935:Antifungal Agents; D010573:Pesticide Residues; D014230:Triazoles; D014297:Trimethylsilyl Compounds