Identification of unknown microcontaminants in dutch river water by liquid chromatography-high resolution mass spectrometry and nuclear magnetic resonance spectroscopy

Environmental Science and Technology

Volumn 48, Issue 21, 2014, Pages 12791-12799

  Van Leerdam, J A ^a   Vervoort, J ^b   Stroomberg, G ^c   De Voogt, P ^a,d  

^a KWR WATERCYCLE RESEARCH INSTITUTE   (Netherlands)

^b WAGENINGEN UNIVERSITY   (Netherlands)

^c RIJKSWATERSTAAT   (Netherlands)

^d UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ISOMERS; LIQUIDS; MAGNETIC RESONANCE SPECTROMETERS; MASS SPECTROMETRY; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POTABLE WATER; SURFACE WATERS; WATER SUPPLY; WATER TREATMENT;

DIODE ARRAY DETECTION; ELEMENTAL COMPOSITIONS; IDENTIFICATION OF UNKNOWNS; LIQUID CHROMATOGRAPHY-HIGH RESOLUTION MASS SPECTROMETRIES; MICRO-CONTAMINANTS; PREPARATIVE LIQUID CHROMATOGRAPHY; REFERENCE COMPOUNDS; WATER TREATMENT PROCESS;

LIQUID CHROMATOGRAPHY;

4,4' DIHYDROXY 3,5,3',5' TETRA(HYDROXYMETHYL) DIPHENYLMETHANE; CAFFEINE; DRINKING WATER; ELEMENT; RESIN; RIVER WATER; TOLUENE; UNCLASSIFIED DRUG; WATER POLLUTANT;

CHEMICAL COMPOSITION; CONCENTRATION (COMPOSITION); IDENTIFICATION METHOD; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; METHANE; POLLUTANT; RESIN; RIVER POLLUTION; RIVER WATER; SPECTROSCOPY; WATER TREATMENT;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; CHEMICAL COMPOSITION; FRACTIONATION; HETERONUCLEAR MULTIPLE BOND CORRELATION; HETERONUCLEAR SINGLE QUANTUM COHERENCE; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; ISOMER; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PUBLIC HEALTH; ULTRAVIOLET SPECTROSCOPY; WATER TREATMENT; ANALYSIS; CHEMISTRY; MOLECULAR WEIGHT; NETHERLANDS; PROCEDURES; RIVER; SOLID PHASE EXTRACTION; TIME; WATER POLLUTANT;

MEUSE RIVER;

CHEMICAL FRACTIONATION; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; MAGNETIC RESONANCE SPECTROSCOPY; MASS SPECTROMETRY; MOLECULAR WEIGHT; NETHERLANDS; RIVERS; SOLID PHASE EXTRACTION; TIME FACTORS; WATER POLLUTANTS, CHEMICAL;

EID: 84908577737     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es502765e     Document Type: Article

References (40)

1. Schriks, M.; Heringa, M. B.; van der Kooi, M. M. E.; de Voogt, P.; van Wezel, A. P. Toxicological relevance of emerging contaminants for drinking water quality Water Res. 2010, 44 (2) 461-476
2. Petri, M.; Jiang, J. Q.; Maier, M. Proficiency test of non-target screening with gas chromatography mass spectrometry to confirm a detected contamination of raw and drinking water. Water Sci. Technol.: Water Supply 2010, 10, 806-814
3. Ma, H.; Zhang, H.; Wang, L.; Wang, J.; Chen, J. Comprehensive screening and priority ranking of volatile organic compounds in Daliao River, China Environ. Monit. Assess. 2014, 1-9
4. Camino-Sánchez, F. J.; Zafra-Gómez, A.; Ruiz-García, J.; Vílchez, J. L. Screening and quantification of 65 organic pollutants in drinking water by stir bar sorptive extraction-gas chromatography-triple quadrupole mass spectrometry Food Anal. Methods 2013, 6 (3) 854-867
5. Civil, W. In Routine trace level screening for a broad range of volatile and semi-volatile organic pollutants in a range of environmental waters using full scan GC-MS with a 1000+ compound target screening database and deconvolution software; 2012.
6. Gómez, M. J.; Gómez-Ramos, M. M.; Agüera, A.; Mezcua, M.; Herrera, S.; Fernández-Alba, A. R. A new gas chromatography/mass spectrometry method for the simultaneous analysis of target and non-target organic contaminants in waters J. Chromatogr. A 2009, 1216 (18) 4071-4082
7. Hogenboom, A. C.; Niessen, W. M. A.; Brinkman, U. A. T. The role of column liquid chromatography-mass spectrometry in environmental trace-level analysis: Determination and identification of pesticides in water J. Sep. Sci. 2001, 24 (5) 331-354
8. Bobeldijk, I.; Broess, K.; Speksnijder, P.; Van Leerdam, T. Determination of the herbicide amitrole in water with pre-column derivatization, liquid chromatography and tandem mass spectrometry J. Chromatogr. A 2001, 938 (1-2) 15-22
9. Reemtsma, T. The use of liquid chromatography-atmospheric pressure ionization-mass spectrometry in water analysis-Part II: Obstacles TrAC-Trends in Analytical Chemistry 2001, 20 (10) 533-542
10. Bobeldijk, I.; Stoks, P. G. M.; Vissers, J. P. C.; Emke, E.; Van Leerdam, J. A.; Muilwijk, B.; Berbee, R.; Noij, T. H. M. Surface and wastewater quality monitoring: Combination of liquid chromatography with (geno)toxicity detection, diode array detection and tandem mass spectrometry for identification of pollutants Journal of Chromatography A 2002, 970 (1-2) 167-181
11. Slobodnik, J.; Brouwer, E. R.; Geerdink, R. B.; Mulder, W. H.; Lingeman, H.; Brinkman, U. A. T. Fully automated on-line liquid chromatographic separation system for polar pollutants in various types of water Anal. Chim. Acta 1992, 268 (1) 55-65
12. Brinkman, U. A. T.; Slobodnik, J.; Vreuls, J. J. Trace-level detection and identification of polar pesticides in surface water: The SAMOS approach TrAC-Trends in Analytical Chemistry 1994, 13 (9) 373-381
13. Slobodnik, J.; Groenewegen, M. G. M.; Brouwer, E. R.; Lingeman, H.; Brinkman Th, U. A. Fully automated multi-residue method for trace level monitoring of polar pesticides by liquid chromatography J. Chromatogr. 1993, 642 (1-2) 359-370
14. Purvis, M.; Gledhill, S. J.; Drage, B. E.; Hogenboom, A. C.; Jolly, D. A.; Vreuls, R. J. J.; Brinkman, U. A. T. Determination and monitoring of polar compounds and acidic herbicides using a modified SAMOS system Int. J. Environ. Anal. Chem. 1999, 74 (1-4) 135-154
15. De Hoogh, C. J.; Wagenvoort, A. J.; Jonker, F.; Van Leerdam, J. A.; Hogenboom, A. C. HPLC-DAD and Q-TOF MS techniques identify cause of Daphnia biomonitor alarms in the River Meuse Environ. Sci. Technol. 2006, 40 (8) 2678-2685
16. Hogenboom, A. C.; Niessen, W. M. A.; Little, D.; Brinkman, U. A. T. Accurate mass determinations for the confirmation and identification of organic microcontaminants in surface water using on-line solid-phase extraction liquid chromatography electrospray orthogonal-acceleration time-of-flight mass spectrometry Rapid Commun. Mass Spectrom. 1999, 13 (2) 125-133
17. Maizels, M.; Budde, W. L. Exact mass measurements for confirmation of pesticides and herbicides determined by liquid chromatography/time-of-flight mass spectrometry Anal. Chem. 2001, 73 (22) 5436-5440
18. Hogenboom, A. C.; Niessen, W. M. A.; Brinkman, U. A. T. Characterization of photodegradation products of alachlor in water by on-line solid-phase extraction liquid chromatography combined with tandem mass spectrometry and orthogonal-acceleration time-of-flight mass spectrometry Rapid Commun. Mass Spectrom. 2000, 14 (20) 1914-1924
19. Ibáñez, M.; Sancho, J. V.; Pozo, Ó. J.; Hernández, F. Use of quadrupole time-of-flight mass spectrometry in environmental analysis: elucidation of transformation products of triazine herbicides in water after UV exposure Anal. Chem. 2004, 76 (5) 1328-1335
20. Herrera Lõpez, S.; Hernando, M. D.; Gõmez, M. J.; Santiago-Morales, J.; Rosal, R.; Fernández-Alba, A. R. Investigation of galaxolide degradation products generated under oxidative and irradiation processes by liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry and comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry Rapid Commun. Mass Spectrom. 2013, 27 (11) 1237-1250
21. Gómez, M. J.; Gómez-Ramos, M. M.; Malato, O.; Mezcua, M.; Férnandez-Alba, A. R. Rapid automated screening, identification and quantification of organic micro-contaminants and their main transformation products in wastewater and river waters using liquid chromatography-quadrupole-time-of-flight mass spectrometry with an accurate-mass database J. Chromatogr. A 2010, 1217 (45) 7038-7054
22. Godejohann, M.; Heintz, L.; Daolio, C.; Berset, J. D.; Muff, D. Comprehensive non-targeted analysis of contaminated groundwater of a former ammunition destruction site using 1H-NMR and HPLC-SPE-NMR/TOF-MS Environ. Sci. Technol. 2009, 43 (18) 7055-7061
23. Godejohann, M.; Berset, J. D.; Muff, D. Non-targeted analysis of wastewater treatment plant effluents by high performance liquid chromatography-time slice-solid phase extraction-nuclear magnetic resonance/time-of-flight-mass spectrometry J. Chromatogr. A 2011, 1218 (51) 9202-9209
24. Schymanski, E. L.; Jeon, J.; Gulde, R.; Fenner, K.; Ruff, M.; Singer, H. P.; Hollender, J. Identifying small molecules via high resolution mass spectrometry: Communicating confidence Environ. Sci. Technol. 2014, 48 (4) 2097-2098
25. Gozlan, I.; Rotstein, A.; Avisar, D. Amoxicillin-degradation products formed under controlled environmental conditions: Identification and determination in the aquatic environment Chemosphere 2013, 91 (7) 985-992
26. Bobeldijk, I.; Vissers, J. P. C.; Kearney, G.; Major, H.; Van Leerdam, J. A. Screening and identification of unknown contaminants in water with liquid chromatography and quadrupole-orthogonal acceleration-time-of-flight tandem mass spectrometry J. Chromatogr. A 2001, 929 (1-2) 63-74
27. Hogenboom, A. C.; van Leerdam, J. A.; de Voogt, P. Accurate mass screening and identification of emerging contaminants in environmental samples by liquid chromatography-hybrid linear ion trap Orbitrap mass spectrometry J. Chromatogr. A 2009, 1216 (3) 510-519
28. Moco, S.; Vervoort, J.; Moco, S.; Bino, R. J.; De Vos, R. C. H.; Bino, R. Metabolomics technologies and metabolite identification TrAC-Trends Anal. Chem. 2007, 26 (9) 855-866
29. Awasthi, A.; Razzak, M.; Al-Kassas, R.; Greenwood, D. R.; Harvey, J.; Garg, S. Isolation and characterization of degradation products of moxidectin using LC, LTQ FT-MS, H/D exchange and NMR Anal. Bioanal. Chem. 2012, 404 (8) 2203-2222
30. Ackerman, L. K.; Noonan, G. O.; Begley, T. H.; Mazzola, E. P. Accurate mass and nuclear magnetic resonance identification of bisphenolic can coating migrants and their interference with liquid chromatography/tandem mass spectrometric analysis of bisphenol A Rapid Commun. Mass Spectrom. 2011, 25 (9) 1336-1342
31. Bijlsma, L.; Emke, E.; Hernández, F.; De Voogt, P. Performance of the linear ion trap Orbitrap mass analyzer for qualitative and quantitative analysis of drugs of abuse and relevant metabolites in sewage water Anal. Chim. Acta 2013, 768 (1) 102-110
32. Exarchou, V.; Godejohann, M.; Van Beek, T. A.; Gerothanassis, I. P.; Vervoort, J. LC-UV-solid-phase extraction-NMR-MS combined with a cryogenic flow probe and its application to the identification of compounds present in Greek oregano Anal. Chem. 2003, 75 (22) 6288-6294
33. Fisher, T. H.; Chao, P.; Upton, C. G.; Day, A. J. Spectral assignments and reference data: A 13C NMR study of the methylol derivatives of 2,4′- and 4,4′-dihydroxydiphenylmethanes found in resol phenol-formaldehyde resins Magn. Reson. Chem. 2002, 40 (11) 747-751
34. Fang, Q.; Cui, H. W.; Du, G. B. Montmorillonite reinforced phenol formaldehyde resin: Preparation, characterization, and application in wood bonding Int. J. Adhes. Adhes. 2014, 49, 33-37
35. Hirano, K.; Asami, M. Phenolic resins-100 years of progress and their future React. Funct. Polym. 2013, 73 (2) 256-269
36. Takeichi, T.; Furukawa, N. Epoxy Resins and Phenol-Formaldehyde Resins; Elsevier: New York, 2012; Vol. 5, pp 723-751
37. Knop, A. Phenolic Resins in Europe; Springer: New York, 1983; p 160.
38. Grenier-Loustalot, M. F.; Larroque, S.; Grande, D.; Grenier, P.; Bedel, D. Phenolic resins: 2. Influence of catalyst type on reaction mechanisms and kinetics Polymer 1996, 37 (8) 1363-1369
39. Grenier-Loustalot, M. F.; Larroque, S.; Grenier, P.; Bedel, D. Phenolic resins: 3. Study of the reactivity of the initial monomers towards formaldehyde at constant pH, temperature and catalyst type Polymer 1996, 37 (6) 939-953
40. Grenier-Loustalot, M. F.; Larroque, S.; Grenier, P.; Bedel, D. Phenolic resins: 4. Self-condensation of methylolphenols in formaldehyde-free media Polymer 1996, 37 (6) 955-964