[1] BLETSOU A A, JEON J, HOLLENDER J, et al. Targeted and non-targeted liquid chromatography-mass spectrometric workflows for identification of transformation products of emerging pollutants in the aquatic environment[J]. TrAC Trends in Analytical Chemistry, 2015, 66:32-44.
[2] GARCÍA-REYES J F, HERNANDO M D, MOLINA-DÍAZ A, et al. Comprehensive screening of target, non-target and unknown pesticides in food by LC-TOF-MS[J]. TrAC Trends in Analytical Chemistry, 2007, 26(8):828-841.
[3] ONORATO J M, LANGISH R, BELLAMINE A, et al. Applications of HILIC for targeted and nontargeted LC/MS analyses in drug discovery[J]. Journal of Separation Science, 2010, 33:923-929.
[4] RIEDL J, ESSLINGER S, FAUHL-HASSEK C. Review of validation and reporting of non-targeted fingerprinting approaches for food authentication[J]. Analytica Chimica Acta, 2015, 885:17-32.
[5] ESSLINGER S, RIEDL J, FAUHL-HASSEK C. Potential and limitations of non-targeted fingerprinting for authentication of food in official control[J]. Food Research International, 2014, 60:189-204.
[6] SANDRA K, SANDRA P. Lipidomics from an analytical perspective[J]. Current Opinion in Chemical Biology, 2013, 17(5):847-853.
[7] IBÁÑEZ C, SIMÓ C, GARCÍA-CAÑAS V, et al. The role of direct high-resolution mass spectrometry in foodomics[J]. Analytical and Bioanalytical Chemistry, 2015, 407(21):6275-6287.
[8] TSUGAWA H, BAMBA T, SHINOHARA M, et al. Practical non-targeted gas chromatography/mass spectrometry-based metabolomics platform for metabolic phenotype analysis[J]. Journal of Bioscience and Bioengineering, 2011, 112(3):292-298.
[9] MIMURA N, ISOGAI A, IWASHITA K, et al. Gas chromatography/mass spectrometry based component profiling and quality prediction for Japanese sake[J]. Journal of Bioscience and Bioengineering, 2014, 118(4):406-414.
[10] ROULLIER-GALL C, WITTING M, TZIOTIS D, et al. Integrating analytical resolutions in non-targeted wine metabolomics[J]. Tetrahedron, 2015, 71(20):2983-2990.
[11] LEE S M, KWON G Y, KIM K O, et al. Metabolomic approach for determination of key volatile compounds related to beef flavor in glutathione-Maillard reaction products[J]. Analytica Chimica Acta, 2011, 703(2):204-211.
[12] VICHI S, CORTÉS-FRANCISCO N, ROMERO A, et al. Determination of volatile thiols in virgin olive oil by derivatisation and LC-HRMS, and relation with sensory attributes[J]. Food Chemistry, 2014, 149:313-318.
[13] MALHEIRO R, GUEDES DE PINHO P, SOARES S, et al. Volatile biomarkers for wild mushrooms species discrimination[J]. Food Research International, 2013, 54(1):186-194.
[14] CARVALHO L M, CARVALHO F, DE LOURDES BASTOS M, et al. Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry[J]. Talanta, 2014, 118:292-303.
[15] FRASER K, HARRISON S J, LANE G A, et al. Non-targeted analysis of tea by hydrophilic interaction liquid chromatography and high resolution mass spectrometry[J]. Food Chemistry, 2012, 134(3):1616-1623.
[16] FRASER K, LANE G A, OTTER D E, et al. Non-targeted analysis by LC-MS of major metabolite changes during the oolong tea manufacturing in New Zealand[J]. Food Chemistry, 2014, 151:394-403.
[17] FRASER K, LANE G A, OTTER D E, et al. Analysis of metabolic markers of tea origin by UHPLC and high resolution mass spectrometry[J]. Food Research International, 2013, 53(2):827-835.
[18] CHERTA L, PORTOLÉS T, PITARCH E, et al. Analytical strategy based on the combination of gas chromatography coupled to time-of-flight and hybrid quadrupole time-of-flight mass analyzers for non-target analysis in food packaging[J]. Food Chemistry, 2015, 188:301-308.
[19] HECKER M, HOLLERT H. Effect-directed analysis (EDA) in aquatic ecotoxicology:state of the art and future challenges[J]. Environmental Science and Pollution Research, 2009, 16(6):607-613.
[20] HOGENBOOM A, LEERDAM J V, DE V, et al. Accurate mass screening and identification of emerging contaminants in environmental samples by liquid chromatography-hybrid linear ion trap Orbitrap mass spectrometry[J]. Journal of Chromatography A, 2009, 1216:510-519.
[21] AGVERA A, MARTÍNEZ BUENO M, FERNÁNDEZ-ALBA A. New trends in the analytical determination of emerging contaminants and their transformation products in environmental waters[J]. Environmental Science and Pollution Research, 2013, 20(6):3496-3515.
[22] GÓMEZ-RAMOS M M, FERRER C, MALATO O, et al. Liquid chromatography-high-resolution mass spectrometry for pesticide residue analysis in fruit and vegetables:Screening and quantitative studies[J]. Journal of Chromatography A, 2013, 1287:24-37.
[23] SCHYMANSKI E L, SINGER H P, SLOBODNIK J, et al. Non-target screening with high-resolution mass spectrometry:Critical review using a collaborative trial on water analysis[J]. Analytical and Bioanalytical Chemistry, 2015, 407(21):6237-6255.
[24] MARTÍNEZ BUENO M J, ULASZEWSKA M M, GOMEZ M J, et al. Simultaneous measurement in mass and mass/mass mode for accurate qualitative and quantitative screening analysis of pharmaceuticals in river water[J]. Journal of Chromatography A, 2012, 1256:80-88.
[25] OREŠIČ M. Metabolomics, a novel tool for studies of nutrition, metabolism and lipid dysfunction[J]. Nutrition, Metabolism and Cardiovascular Diseases, 2009, 19(11):816-824.
[26] MŪLLER A, SCHULZ W, RUCK W K, et al. A new approach to data evaluation in the non-target screening of organic trace substances in water analysis[J]. Chemosphere, 2011, 85(8):1211-1219.
[27] DIAZ R, MARIA IBANEZ, SANCHO J V, et al. Target and non-target screening strategies for organic contaminants, residues and illicit substances in food, environmental and human biological samples by UHPLC-QTOF-MS.Analytical Methods[J]. Analytical Methods, 2012, 4:196-209.
[28] MOHLER R E, O'REILLY K T, ZEMO D A, et al. Non-targeted analysis of petroleum metabolites in groundwater using GC×GC-TOFMS[J]. Environmental Science & Technology, 2013, 47(18):10471-10476.
[29] HELBLING D E, HOLLENDER J, KOHLER H-P E, et al. High-throughput identification of microbial transformation products of organic micropollutants[J]. Environmental Science & Technology, 2010, 44(17):6621-6627.
[30] HIRD S J, LAU B P Y, SCHUHMACHER R, et al. Liquid chromatography-mass spectrometry for the determination of chemical contaminants in food[J]. TrAC Trends in Analytical Chemistry, 2014, 59:59-72.
[31] JERNBERG J, PELLINEN J, RANTALAINEN A L. Identification of organic xenobiotics in urban aquatic environments using time-of-flight mass spectrometry[J]. Science of the Total Environment, 2013, 450-451:1-6.
[32] WEIGEL S, BESTER K, HVHNERFUSS H. New method for rapid solid-phase extraction of large-volume water samples and its application to non-target screening of North Sea water for organic contaminants by gas chromatography-mass spectrometry[J]. Journal of Chromatography A, 2001, 912(1):151-161.
[33] HVBNER U, SEIWERT B, REEMTSMA T, et al. Ozonation products of carbamazepine and their removal from secondary effluents by soil aquifer treatment-Indications from column experiments[J]. Water Research, 2014, 49:34-43.
[34] PÉREZ-PARADA A, GÓMEZ-RAMOS M D M, BUENO M J M, et al. Analytical improvements of hybrid LC-MS/MS techniques for the efficient evaluation of emerging contaminants in river waters:A case study of the Henares River(Madrid, Spain)[J]. Environmental Science and Pollution Research, 2012, 19:467-481.
[35] SKOCZYŃSKA E, KORYTÁR P, BOER J D. Maximizing chromatographic information from environmental extracts by GCxGC-ToF-MS[J]. Environmental Science & Technology, 2008, 42(17):6611-6618.
[36] BU Q, WANG D, LIU X, et al. A high throughout semi-quantification method for screening organic contaminants in river sediments[J]. Journal of Environmental Management, 2014, 143:135-139.
[37] HOH E, DODDER N G, LEHOTAY S J, et al. Nontargeted comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry method and software for inventorying persistent and bioaccumulative contaminants in marine environments[J]. Environmental Science & Technology, 2012, 46(15):8001-8008.
[38] BYER J D, PACEPAVICIUS G, LEBEUF M, et al. Qualitative analysis of halogenated organic contaminants in American eel by gas chromatography/time-of-flight mass spectrometry[J]. Chemosphere, 2014, 116:98-103.
[39] MILMAN B L. General principles of identification by mass spectrometry[J]. TrAC Trends in Analytical Chemistry, 2015, 69:24-33.
[40] TERZIC S, AHEL M. Nontarget analysis of polar contaminants in freshwater sediments influenced by pharmaceutical industry using ultra-high-pressure liquid chromatographyequadrupole time-of-flight mass spectrometry[J]. Environmental Pollution, 2011, 159:557-566.
[41] ALLAN I J, HARMAN C, RANNEKLEV S B, et al. Passive sampling for target and nontarget analyses of moderately polar and nonpolar substances in water[J]. Environmental Toxicology and Chemistry, 2013, 32(8):1718-1726.
[42] ALDER L, GREULICH K, KEMPE G, et al. Residue analysis of 500 high priority pesticides:Better by GC-MS or LC-MS/MS?[J]. Mass Spectrometry Reviews, 2006, 25(6):838-865.
[43] TSUGAWA H, TSUJIMOTO Y, SUGITATE K, et al. Highly sensitive and selective analysis of widely targeted metabolomics using gas chromatography/triple-quadrupole mass spectrometry[J]. Journal of Bioscience and Bioengineering, 2014, 117(1):122-128.
[44] MURRAY J A. Qualitative and quantitative approaches in comprehensive two-dimensional gas chromatography[J]. Journal of Chromatography A, 2012, 1261:58-68.
[45] PIERCE K M, HOGGARD J C, MOHLER R E, et al. Recent advancements in comprehensive two-dimensional separations with chemometrics[J]. Journal of Chromatography A, 2008, 1184(1/2):341-352.
[46] SCHMIDT T, SCHMITZ O, TEUTENBERG T. Multidimensional chromatography[J]. Analytical and Bioanalytical Chemistry, 2015, 407(1):117-118.
[47] PENA-ABAURREA M, YE F, BLASCO J, et al. Evaluation of comprehensive two-dimensional gas chromatography-time-of-flight-mass spectrometry for the analysis of polycyclic aromatic hydrocarbons in sediments[J]. Journal of Chromatography A, 2012, 1256:222-231.
[48] HOH E, LEHOTAY S J, MASTOVSKA K, et al. Capabilities of direct sample introduction-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry to analyze organic chemicals of interest in fish oils[J]. Environmental Science & Technology, 2009, 43(9):3240-3247.
[49] VIAL J, PEZOUS B, THIÉBAUT D, et al. The discriminant pixel approach:A new tool for the rational interpretation of GC×GC-MS chromatograms[J]. Talanta, 2011, 83(4):1295-1301.
[50] VAN STEE L L P, BRINKMAN U A T. Peak clustering in two-dimensional gas chromatography with mass spectrometric detection based on theoretical calculation of two-dimensional peak shapes:The 2DAid approach[J]. Journal of Chromatography A, 2011, 1218(43):7878-7885.
[51] FERRER I, THURMAN E M. Analysis of 100 pharmaceuticals and their degradates in water samples by liquid chromatography/quadrupole time-of-flight mass spectrometry[J]. Journal of Chromatography A, 2012, 1259:148-157.
[52] MATOS J T V, DUARTE R M B O, DUARTE A C. A simple approach to reduce dimensionality from comprehensive two-dimensional liquid chromatography coupled with a multichannel detector[J]. Analytica Chimica Acta, 2013, 804:296-303.
[53] LI D, JAKOB C, SCHMITZ O. Practical considerations in comprehensive two-dimensional liquid chromatography systems (LC×LC) with reversed-phases in both dimensions[J]. Analytical and Bioanalytical Chemistry, 2015, 407(1):153-167.
[54] KRAUSS M, SINGER H, HOLLENDER J. LC-high resolution MS in environmental analysis:From target screening to the identification of unknowns[J]. Analytical and Bioanalytical Chemistry, 2010, 397:943-951.
[55] ACEÑA J, STAMPACHIACCHIERE S, PÉREZ S, et al. Advances in liquid chromatography-high-resolution mass spectrometry for quantitative and qualitative environmental analysis[J]. Analytical and Bioanalytical Chemistry, 2015, 407(21):6289-6299.
[56] HERNÁNDEZ F, SANCHO J V, IBÁÑEZ M, et al. Investigation of pesticide metabolites in food and water by LC-TOF-MS[J]. TrAC Trends in Analytical Chemistry, 2008, 27(10):862-872.
[57] PICÓ Y, FARRÉ M L, SOLER C, et al. Identification of unknown pesticides in fruits using ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry:Imazalil as a case study of quantification[J]. Journal of Chromatography A, 2007, 1176(1/2):123-134.
[58] SHI Y, CHANG J S, ESPOSITO C L, et al. Rapid screening for pesticides using automated online sample preparation with a high-resolution benchtop Orbitrap mass spectrometer[J]. Food Additives & Contaminants:Part A, 2011, 28(10):1383-1392.
[59] SCHYMANSKI E L, SINGER H P, LONGR E P, et al. Strategies to characterize polar organic contamination in wastewater:Exploring the capability of high resolution mass spectrometry[J]. Environmental Science & Technology, 2014, 48(3):1811-1818.
[60] PRASSE C, WAGNER M, SCHULZ R, et al. Biotransformation of the antiviral drugs acyclovir and penciclovir in activated sludge treatment[J]. Environmental Science & Technology, 2011, 45(7):2761-2769.
[61] LEVSEN K, PREISS A, GODEJOHANN M. Application of high-performance liquid chromatography coupled to nuclear magnetic resonance and high-performance liquid chromatography coupled to mass spectrometry to complex environmental samples[J]. TrAC Trends in Analytical Chemistry, 2000, 19(1):27-48.
[62] ALVES FILHO E G, SARTORI L, SILVA L M A, et al. Non-targeted analyses of organic compounds in urban wastewater[J]. Magnetic Resonance in Chemistry, 2015, 53(9):704-710.
[63] GODEJOHANN M, HEINTZ L, DAOLIO C, et al. Comprehensive Non-targeted analysis of contaminated groundwater of a former ammunition destruction site using 1H-NMR and HPLC-SPE-NMR/TOF-MS[J]. Environmental Science & Technology, 2009, 43(18):7055-7061.
[64] KIND T, FIEHN O. Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry[J]. BMC Bioinformatics, 2007, 8(1):105-124.
[65] ULRICH N, SCHVVRMANN G, BRACK W. Linear solvation energy relationships as classifiers in non-target analysis-A capillary liquid chromatography approach[J]. Journal of Chromatography A, 2011, 1218(45):8192-8196.
[66] ULRICH N, MVHLENBERG J, RETZBACH H, et al. Linear solvation energy relationships as classifiers in non-target analysis-A gas chromatographic approach[J]. Journal of Chromatography A, 2012, 1264:95-103.
[67] ULRICH N, SCHVVRMANN G, BRACK W. Prediction of gas chromatographic retention indices as classifier in non-target analysis of environmental samples[J]. Journal of Chromatography A, 2013, 1285:139-147.
[68] ULRICH N, MVHLENBERG J, SCHVVRMANN G, et al. Linear solvation energy relationships as classifier in non-target analysis-An approach for isocratic liquid chromatography[J]. Journal of Chromatography A, 2014, 1324:96-103.
[69] UBUKATA M, JOBST K J, REINER E J, et al. Non-targeted analysis of electronics waste by comprehensive two-dimensional gas chromatography combined with high-resolution mass spectrometry:Using accurate mass information and mass defect analysis to explore the data[J]. Journal of Chromatography A, 2015, 1395:152-159.
[70] KERN S, FENNER K, SINGER H P, et al. Identification of transformation products of organic contaminants in natural waters by computer-aided prediction and high-resolution mass spectrometry[J]. Environmental Science & Technology, 2009, 43(18):7039-7046.
[71] BRACK W, DULIO V, SLOBODNIK J. The NORMAN Network and its activities on emerging environmental substances with a focus on effect-directed analysis of complex environmental contamination[J]. Environmental Sciences Europe, 2012, 24(1):1-5.
[72] QU G, SHI J, WANG T, et al. Identification of tetrabromobisphenol A diallyl ether as an emerging neurotoxicant in environmental samples by bioassay-directed fractionation and HPLC-APCI-MS/MS[J]. Environmental Science & Technology, 2011, 45(11):5009-5016.
[73] CERVERA M I, PORTOLÉS T, PITARCH E, et al. Application of gas chromatography time-of-flight mass spectrometry for target and non-target analysis of pesticide residues in fruits and vegetables[J]. Journal of Chromatography A, 2012, 1244:168-177.