Abstract：
OBJECTIVE: To establish a rapid screening method for 34 emerging contaminants in surface water by ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UHPLC-Q-TOF-MS).
METHODS: The pretreatment conditions of solid phase extraction (SPE) were optimized by orthogonal experimental design and the surface water samples were concentrated and extracted by Oasis® HLB and Oasis® MCX SPE columns in series. The extracts were separated by Kinetex® EVO C18 column, with gradient elution of 0.1% formic acid aqueous solution and 0.1% formic acid methanol solution. Q-TOF-MS \'fullscan\' and \'targeted MS/MS\' modes were used to detect 34 emerging contaminants and to establish a database with 34 emerging contaminants precursor ion, product ion and retention times.
RESULTS: The 34 emerging contaminants exhibited good linearity in the concentration range respectively and the correlation coefficients (r) were higher than 0.97. The limit of detection was 0.2-10 ng/L and the recoveries were 81.2%-119.2%. The intra-day precision was 0.78%-18.70%. The method was applied to analyze multiple surface water samples and 6 emerging contaminants were detected, with a concentration range of 1.93-157.71 ng/L.
CONCLUSIONS: The method is simple and rapid for screening various emerging contaminants at the trace level in surface water.
目的: 建立基于超高效液相色谱-四极杆-飞行时间质谱（ultra-high performance liquid chromatography- quadrupole-time of flight mass spectrometry，UHPLC-Q-TOF-MS）技术快速筛查地表水中34种新兴污染物的方法。方法: 通过正交试验设计优化固相萃取（solid phase extraction，SPE）前处理条件，样品经Oasis® HLB和Oasis® MCX固相萃取柱串联富集萃取。萃取物采用Kinetex® EVO C18色谱柱分离，0.1%甲酸水溶液和0.1%甲酸甲醇溶液梯度洗脱，Q-TOF-MS “fullscan”和“targeted MS/MS”模式检测34种新兴污染物，建立34种新兴污染物母离子、子离子及保留时间的数据库。结果: 地表水中34种新兴污染物在各自线性范围内呈良好的线性关系，相关系数（r）大于0.97。检出限为0.2~10 ng/L，回收率为81.2%~119.2%，日间精密度为0.78%~18.70%。将方法应用于多份地表水样品的检测，共检出6种新兴污染物，质量浓度为1.93~157.71 ng/L。结论: 该方法能简单、快速地对地表水中的多种痕量级新兴污染物进行筛查分析。.
METHODS: The pretreatment conditions of solid phase extraction (SPE) were optimized by orthogonal experimental design and the surface water samples were concentrated and extracted by Oasis® HLB and Oasis® MCX SPE columns in series. The extracts were separated by Kinetex® EVO C18 column, with gradient elution of 0.1% formic acid aqueous solution and 0.1% formic acid methanol solution. Q-TOF-MS \'fullscan\' and \'targeted MS/MS\' modes were used to detect 34 emerging contaminants and to establish a database with 34 emerging contaminants precursor ion, product ion and retention times.
RESULTS: The 34 emerging contaminants exhibited good linearity in the concentration range respectively and the correlation coefficients (r) were higher than 0.97. The limit of detection was 0.2-10 ng/L and the recoveries were 81.2%-119.2%. The intra-day precision was 0.78%-18.70%. The method was applied to analyze multiple surface water samples and 6 emerging contaminants were detected, with a concentration range of 1.93-157.71 ng/L.
CONCLUSIONS: The method is simple and rapid for screening various emerging contaminants at the trace level in surface water.
目的: 建立基于超高效液相色谱-四极杆-飞行时间质谱（ultra-high performance liquid chromatography- quadrupole-time of flight mass spectrometry，UHPLC-Q-TOF-MS）技术快速筛查地表水中34种新兴污染物的方法。方法: 通过正交试验设计优化固相萃取（solid phase extraction，SPE）前处理条件，样品经Oasis® HLB和Oasis® MCX固相萃取柱串联富集萃取。萃取物采用Kinetex® EVO C18色谱柱分离，0.1%甲酸水溶液和0.1%甲酸甲醇溶液梯度洗脱，Q-TOF-MS “fullscan”和“targeted MS/MS”模式检测34种新兴污染物，建立34种新兴污染物母离子、子离子及保留时间的数据库。结果: 地表水中34种新兴污染物在各自线性范围内呈良好的线性关系，相关系数（r）大于0.97。检出限为0.2~10 ng/L，回收率为81.2%~119.2%，日间精密度为0.78%~18.70%。将方法应用于多份地表水样品的检测，共检出6种新兴污染物，质量浓度为1.93~157.71 ng/L。结论: 该方法能简单、快速地对地表水中的多种痕量级新兴污染物进行筛查分析。.
摘要：
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