title: Accurate screening for synthetic preservatives in beverage using high performance liquid chromatography with time-of-flight mass spectrometry.
abstract: In this study, liquid chromatography time-of-flight mass spectrometry (HPLC/TOF-MS) is applied to qualitation and quantitation of 18 synthetic preservatives in beverage. The identification by HPLC/TOF-MS is accomplished with the accurate mass (the subsequent generated empirical formula) of the protonated molecules [M+H]+ or the deprotonated molecules [M-H]-, along with the accurate mass of their main fragment ions. In order to obtain sufficient sensitivity for quantitation purposes (using the protonated or deprotonated molecule) and additional qualitative mass spectrum information provided by the fragments ions, segment program of fragmentor voltages is designed in positive and negative ion mode, respectively. Accurate mass measurements are highly useful in the complex sample analyses since they allow us to achieve a high degree of specificity, often needed when other interferents are present in the matrix. The mass accuracy typically obtained is routinely better than 3 ppm. The 18 compounds behave linearly in the 0.005-5.0mg.kg(-1) concentration range, with correlation coefficient >0.996. The recoveries at the tested concentrations of 1.0mg.kg(-1)-100mg.kg(-1) are 81-106%, with coefficients of variation <7.5%. Limits of detection (LODs) range from 0.0005 to 0.05 mg.kg(-1), which are far below the required maximum residue level (MRL) for these preservatives in foodstuff. The method is suitable for routine quantitative and qualitative analyses of synthetic preservatives in foodstuff.
authors.affiliation: Institute of Food Safety, Chinese Academy of Inspection and Quarantine, Jia 3, Gaobeidian North Road, Beijing 100025, PR China.
authors.forename: Xiu Qin
authors.initials: XQ
authors.lastname: Li
authors.forename: Feng
authors.initials: F
authors.lastname: Zhang
authors.forename: Yan Yan
authors.initials: YY
authors.lastname: Sun
authors.forename: Wei
authors.initials: W
authors.lastname: Yong
authors.forename: Xiao Gang
authors.initials: XG
authors.lastname: Chu
authors.forename: Yan Yan
authors.initials: YY
authors.lastname: Fang
authors.forename: Jerry
authors.initials: J
authors.lastname: Zweigenbaum
mesh_terms: D001628:Beverages / Q000032:analysis*; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D013058:Mass Spectrometry / Q000379:methods*; D015394:Molecular Structure; D011310:Preservatives, Pharmaceutical / Q000032:analysis* / Q000138:chemical synthesis / Q000737:chemistry*; D013997:Time Factors
chemical_list: D011310:Preservatives, Pharmaceutical