Combining UHPLC and high-resolution MS: A viable approach for the analysis of complex samples?

TrAC - Trends in Analytical Chemistry

Volumn 63, Issue , 2014, Pages 113-128

  Kaufmann, A ^a  

^a Official Food Control Authority of the Canton of Zurich   (Switzerland)

Author keywords

Bioanalysis; Complex sample; Environmental analysis; Food analysis; Forensic analysis; High resolution mass spectrometry (HRMS); Metabolomics; Residue analysis; UHPLC HRMS; Ultra high performance liquid chromatography (UHPLC)

Indexed keywords

LIQUIDS; MASS SPECTROMETRY;

BIOANALYSIS; COMPLEX SAMPLES; ENVIRONMENTAL ANALYSIS; FOOD ANALYSIS; FORENSIC ANALYSIS; HIGHRESOLUTION MASS SPECTROMETRY (HRMS); METABOLOMICS; RESIDUE ANALYSIS; UHPLC-HRMS; ULTRA-HIGH PERFORMANCE LIQUID CHROMATOGRAPHIES;

HIGH PERFORMANCE LIQUID CHROMATOGRAPHY;

NATURAL PRODUCT; PESTICIDE; VETERINARY DRUG;

CALIBRATION; COMPUTER PROGRAM; DOPING; DRUG DETERMINATION; DRUG METABOLISM; DRUG RESEARCH; DYNAMICS; ENVIRONMENTAL FACTOR; FOOD ANALYSIS; FOOD CONTAMINATION; FORENSIC MEDICINE; HERBAL MEDICINE; MASS SPECTROMETER; MASS SPECTROMETRY; METABOLOMICS; PHYSICAL PARAMETERS; QUANTITATIVE ANALYSIS; RESIDUE ANALYSIS; RESOLUTION POWER; REVIEW; ROBUSTNESS; SENSITIVITY ANALYSIS; TIME OF FLIGHT MASS SPECTROMETRY; ULTRA PERFORMANCE LIQUID CHROMATOGRAPHY;

EID: 84912032164     PISSN: 01659936     EISSN: 18793142     Source Type: Journal    
DOI: 10.1016/j.trac.2014.06.025     Document Type: Review

References (86)

1. Forlay-Frick P., Van Gyseghem E., Héberger K., Vander Heyden Y. Selection of orthogonal chromatographic systems based on parametric and non-parmetric statistical tests. Anal. Chim. Acta 2005, 539:1-10.
2. Plumb R., Castro-Perez J., Granger J., Beattie I., Joncour K., Wright A. Ultra-performance liquid chromatography coupled to quadrupole-orthogonal time-of-flight mass spectrometry. Rapid Commun. Mass Spectrom 2004, 18:2331-2337.
3. Wu N., Collins D.C., Lippert J.A., Xiang Y., Lee M.L. Ultrahigh pressure liquid chromatography/time-of-flight mass spectrometry for fast separations. J. Microcolumn Sep 2000, 12:462-469.
4. Kaufmann A., Butcher P., Maden K., Widmer M. Ultra-performance liquid chromatography coupled to time of flight mass spectrometry (UHPLC-TOF): a novel tool for multiresidue screening of veterinary drugs in urine. Anal. Chim. Acta 2007, 586:13-21.
5. Guillarme D., Ruta J., Rudaz S., Veuthey J. New trends in fast and high-resolution liquid chromatography: a critical comparison of existing approaches. Anal. Bioanal. Chem 2010, 397:1069-1082.
6. Rodriguez-Aller M., Gurny R., Veuthey J., Guillarme D. Coupling ultra high-pressure liquid chromatography with mass spectrometry: constraints and possible applications. J. Chromatogr. A 2013, 1292:2-18.
7. Grata E., Guillarme D., Glauser G., Boccard J., Carrupt P., Veuthey J. Metabolite profiling of plant extracts by ultra-high-pressure liquid chromatography at elevated temperature coupled to time-of flight mass spectrometry. J. Chromatogr. A 2009, 1216:5660-5668.
8. Spaggiari D., Fekete S., Eugster P., Veutey J., Geiser L., Rudaz S., et al. Contribution of various types of liquid chromatography-mass spectrometry instruments to band broadening in fast analysis. J. Chromatogr. A 2013, 1310:45-55.
9. Kaufmann A. The current role of high-resolution mass spectrometry in food analysis. Anal. Bioanal. Chem 2012, 403:1233-1249.
10. Kaufmann A., Widmer M., Maden K. Post-interface signal suppression, a phenomenon observed in a single-stage Orbitrap mass spectrometer coupled to an electrospray interfaced liquid chromatograph. Rapid Commun. Mass Spectrom 2010, 24:2162-2170.
11. Kelly R., Tolmachev A., Page J., Tang K. The ion funnel: theory, implementations, and applications. Mass Spectrom. Rev 2010, 29:294-312.
12. Kaufmann A., Butcher P., Maden K., Walker S., Widmer M. Comprehensive comparison of liquid chromatography selectivity as provided by two types of liquid chromatography detectors (high resolution mass spectrometry and tandem mass spectrometry): Where is the crossover point?". Anal. Chim. Acta 2010, 673:60-72.
13. Berendsen B., Stolker L., Nielen M. The (un)certainty of selectivity in liquid chromatography tandem mass spectrometry. J. Am. Soc. Mass Spectrom 2013, 24:154-163.
14. Schürmann A., Dvorak V., Crüzer C., Butcher P., Kaufmann A. False-positive liquid chromatography/tandem mass spectrometry confirmation of sebuthylazine residues using the identification points system according to EU directive 2002/657/EC due to a biogenic insecticide in tarragon. Rapid Commun. Mass Spectrom 2009, 23:1196-1200.
15. Kaufmann A., Butcher P., Maden K., Widmer M., Giles K., Uría D. Are liquid chromatography/electrospray tandem quadrupole fragmentation ratios unequivocal confirmation criteria?. Rapid Commun. Mass Spectrom 2009, 23:985-998.
16. Kaufmann A., Walker S. Evaluation of the interrelationship between mass resolving power and mass error tolerances for targeted bioanalysis using liquid chromatography coupled to high-resolution mass spectrometry. Rapid Commun. Mass Spectrom 2013, 27:347-356.
17. Vanhaecke L., Meulebroek L., De Clercq N., Bussche J. High resolution Orbitrap mass spectrometry in comparison with tandem mass spectrometry for confirmation of anabolic steroids in meat. Anal. Chim. Acta 2013, 767:118-127.
18. Erve J., Gu M., Wang Y., DeMaio W., Talaat R. Spectral accuracy of molecular ions in an LTQ/Orbitrap mass spectrometer and implications for elemental composition determination. J. Am. Soc. Mass Spectrom 2009, 20:2058-2069.
19. Kaufmann A., Walker S. Accuracy of relative isotopic abundance and mass measurements in a single-stage Orbitrap mass spectrometer. Rapid Commun. Mass Spectrom 2012, 26:1081-1090.
20. Kaufmann A. Determination of the elemental composition of trace analytes in complex matrices using exact masses of product ions and corresponding neutral losses. Rapid Commun. Mass Spectrom 2007, 21:2003-2013.
21. Kaufmann A. Strategy for the elucidation of elemental compositions of trace analytes based on a mass resolution of 100 000 full width at half maximum. Rapid Commun. Mass Spectrom 2010, 24:2035-2046.
22. Kaufmann A., Butcher P., Maden K., Walker S., Widmer M. Quantitative and confirmative performance of liquid chromatography coupled to high-resolution mass spectrometry compared to tandem mass spectrometry. Rapid Commun. Mass Spectrom 2011, 25:979-992.
23. Fedorova G., Randak T., Lindberg R., Grabic R. Comparison of the quantitative performance of a Q-Exactive high-resolution mass spectrometer with that of a triple quadrupole tandem mass spectrometer for the analysis of illicit drugs in wastewater. Rapid Commun. Mass Spectrom 2013, 27:1751-1762.
24. Kaufmann A., Butcher P., Maden K., Walker S., Widmer M. Quantification of anthelmintic drug residues in milk and muscle tissues by liquid chromatography coupled to Orbitrap and liquid chromatography coupled to tandem mass spectrometry. Talanta 2011, 85:991-1000.
25. Kaufmann A. Validation of multiresidue methods for veterinary drug residues; related problems and possible solutions. Anal. Chim. Acta 2009, 637:144-155.
26. Vergeynst L., Van Langenhove H., Joos P., Demeestere K. Accurate mass determination, quantification and determination of detection limits in liquid chromatography-high-resolution time-of-flight mass spectrometry: challenges and practical solutions. Anal. Chim. Acta 2013, 789:74-82.
27. Yan G., Zhang A., Sun H., Han Y., Shi H., Zhou Y., et al. An effective method for determining the ingredients of Shuanghuanglian formula in blood samples using high-resolution LC-MS coupled with background subtraction and multiple data processing approach. J. Sep. Sci 2013, 36:3191-3199.
28. Zhang G., Sun J., Kano Y., Yuan D. Metabolic profile of irisolidone in rats obtained by ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry. J. Chromatogr. B. Analyt Technol Biomed Life Sci 2013, 941:1-9.
29. Gikas E., Bazoti F., Katsimardou M., Anagnostopoulus D., Papanikolaou K., Inglezos I., et al. Determination of colistin A and colistin B in human plasma by UHPLC-ESI high resolution tandem MS: application to a pharmacokinetic study. J. Pharm. Biomed. Anal 2013, 83:228-236.
30. Ramanathan R., Jemal M., Ramagiri S., Xia Y., Humpreys W., Olah T., et al. It is time for a paradigm shift in drug discovery bioanalysis: from SRM to HRMS. J. Mass Spectrom 2011, 46:595-601.
31. Xie C., Zhong D., Yu K., Chen X. Recent advances in metabolite identification and quantitative bioanalysis by LC-Q-TOF MS. Bioanalysis 2012, 4:937-959.
32. Tonoli D., Varesio E., Hopfgartner G. Mass spectrometric QUAL/QUAN approaches for drug metabolism and metabolomics. Chimia (Aarau) 2012, 66:218-222.
33. Zaho H., Hu H., Wang Y. Comparative metabolism and stability of andrographolide in liver microsomes from humans, dogs and rats using ultra-performance liquid chromatography coupled with triple-quadrupole and Fourier transform ion cyclotron resonance mass spectrometry. Rapid Commun. Mass Spectrom 2013, 27:1385-1392.
34. Xiao J., Zhou B., Ressom H. Metabolite identification and quantitation in LC-MS/MS-based metabolomics. Trends Anal. Chem 2012, 32:1-14.
35. Sleno L. The use of mass defect in modern mass spectrometry. J. Mass Spectrom 2012, 47:226-236.
36. Forcisi S., Moritz F., Kanawati B., Tziotis D., Lehman R., Schmitt-Kopplin P. Liquid chromatography-mass spectrometry in metabolomics research: mass analyzers in ultra high pressure liquid chromatography coupling. J. Chromatogr. A 2013, 1292:51-65.
37. Hodson M., Dear G., Griffin J., Haselden J. An approach for the development and selection of chromatographic methods for high-throughput metabolomics screening of urine by ultra pressure LC-ESI-ToF-MS. Metabolomics 2009, 5:166-182.
38. Gallart-Ayala H., Courant F., Severs S., Antignac J., Mario F. Versatile lipid profiling by liquid chromatography-high resolution mass spectrometry using all ion fragmentation an polarity switching. Preliminary application for serum samples phenotyping related to canine mammary cancer. Anal. Chim. Acta 2013, 796:75-83.
39. Zhang A., Sun H., Yan G., Han Y., Ye Y., Wang X. Urinary metabolic profiling identifies a key role for glycocholic acid in human liver cancer by ultra-performance liquid-chromatography coupled with high-definition mass spectrometry. Clin. Chim. Acta 2013, 418:86-90.
40. Castro-Puyana M., Herrero M. Metabolomics approaches based on mass spectrometry for food safety, quality and traceability. Trends Anal. Chem 2013, 52:74-87.
41. Glauser G., Veyrat N., Rochat B., Wolfender J., Turlings T. Ultra-high pressure liquid chromatography-mass spectrometry for plant metabolomics: a systematic comparison of high-resolution quadrupole-time-of-flight and single stage Orbitrap mass spectrometry. J. Chromatogr. A 2013, 1292:151-159.
42. Mattarucchi E., Guillou C. Critical aspects of urinary profiling for the selection of potential biomarkers using UPLC-TOF-MS. Biomed. Chromatogr 2012, 26:512-517.
43. Zhang Z., Zhao Y., Cheng X., Lin R., Dai Z., Zhou C. Metabolomic study of biochemical changes in the rat urine induced by Pinellia ternate (Thunb.), Berit. J. Pharm. Biomed. Anal 2013, 85:186-193.
44. Zhou J., Qi L., Li P. Herbal medicine analysis by liquid chromatography/time-of-flight mass spectrometry. J. Chromatogr. A 2009, 1216:7582-7594.
45. Jing J., Ren W., Chen S., Wei M., Parekh H. Advances in analytical technologies to evaluate the quality of traditional Chinese medicines. Trends Analyt. Chem 2013, 44:39-45.
46. Sun J., Lin L., Chen P. Recent applications for HPLC-MS Analysis of anthocyanins in food matrices. Curr. Anal. Chem 2013, 9:397-416.
47. Motilva M., Serra A., Macià A. Analysis of food polyphenols by ultra high-performance liquid chromatography coupled to mass spectrometry: an overview. J. Chromatogr. A 2013, 1292:66-82.
48. Liang X., Zhang L., Zhang X., Dai W., Li H., Hu L., et al. Qualitative and quantitative analysis of traditional Chines medicine Niu Huang Jie Du Pill using ultra performance liquid chromatography coupled with tunable UV detector and rapid resolution liquid chromatography coupled with time-of-flight tandem mass spectrometry. J. Pharm. Biomed. Anal 2010, 51:565-571.
49. Yo X., Zhao G., Tang Y., Guo S., Qian Y., Jin C., et al. UPLC-PAD-TOF/MS coupled with multivariate statistical analysis to rapidly analyze and evaluate Ginkgo biloba leaves from different origin. Drug Test. Anal 2013, 10.1002/dta.1477.
50. Wang Y., He S., Cheng X., Lu Y., Zou Y., Zhang Q. UPLC-Q-TOF-MS/MS fingerprinting of traditional Chinese formula SiJunZiang. J. Pharm. Biomed. Anal 2013, 80:24-33.
51. Qi Y., Li S., Pi Z., Song F., Lin N., Liu Z. Chemical profiling of Wu-tou decoction by UHPLC-Q-TOF-MS. Talanta 2014, 118:21-29.
52. Ramirez-Albrosi M., Abad-Gracia B., Viloria-Bernal M., Garmon-Lobato S., Berrueta L., Gallo B. A new ultrahigh performance liquid chromatography with diode array detection coupled to electrospray ionization and quadrupole time-of-flight mass spectrometry analytical strategy for fast analysis and improved characterization of phenolic compounds in apple products. J. Chromatogr. A 2013, 1316:78-91.
53. Gasic U., Keckes S., Dabic D., Trifkovic J., Milkjkovic-Opsenica D., Natic N., et al. Phenolic profile and antioxidant activity of Serbian polyfloral honeys. Food Chem 2014, 145:599.
54. Sun J., Liu X., Yang T., Slovin J., Chen P. Profiling polyphenols of two diploid strawberry (Fragaria vesca) inbred lines using UHPLC-HRMS. Food Chem 2014, 146:289.
55. Tchoumtchoua J., Njamen D., Mbanya J., Skaltsounis A., Halabalaki M. Structure-oriented UHPLC-LTQ Orbitrap-based identification of isoflavonoids from Amphimas peterocarpoides crude extract. J. Mass Spectrom 2013, 48:561.
56. Kolmonen M., Leinonen A., Pelander A., Ojanperä I. A general screening method for doping agents in human urine by solid phase extraction and liquid chromatography/time-of-flight mass spectrometry. Anal. Chim. Acta 2007, 585:94.
57. Maurer H. What is the future of (ultra) high performance liquid chromatography coupled to low and high resolution mass spectrometry for toxicological drug screening?. J. Chromatogr. A 2013, 1292:19.
58. Musenga A., Cowan D. Use of ultra-high pressure liquid chromatography coupled to high resolution mass spectrometry for fast screening in high throughput doping control. J. Chromatogr. A 2013, 1288:82-95.
59. Lee H., Ho C., Lu Y., Lai P., Shek C., Lo Y., et al. Development of a broad toxicological screening technique for urine using ultra-performance liquid chromatography and time-of-flight mass spectrometry. Anal. Chim. Acta 2009, 649:80-90.
60. Dalsgaard P., Rasmussen B., Müller I., Linnet K. Toxicological screening of basic drugs in whole blood using UPLC-TOF-MS. Drug Test. Anal 2013, 4:313-319.
61. Girón A., Deventer K., Roels K., Van Eenoo P. Development and validation of an open screening method for diuretics, simulants and selected compounds in human urine by UHPLC-HRMS for doping control. Anal. Chim. Acta 2012, 721:137-146.
62. Thoms A., Geyer H., Schänzer W., Crone C., Kellmann M., Moehring T., et al. Sensitive determination of prohibited drugs in dried blood spots (DBS) for doping controls by means of a benchtop quadrupole/Orbitrap mass spectrometer. Anal. Bioanal. Chem 2012, 403:1279-1289.
63. Kiss A., Lucio M., Fildier A., Buisson C., Schmitt-Kopplin P., Cren-Olivé C. Doping control using high and ultra-high resolution mass spectrometry based non-target metabolomics-A case study of salbutamol and budesonide abuse. PLoS ONE 2013, 8:1-8.
64. Pozo O.J., Barreda M., Sancho J.V., Hernández F., Liberia J., Cortés M.A., et al. Multiresidue pesticide analysis of fruits by ultra-performance liquid chromatography tandem mass spectrometry. Anal. Bioanal. Chem 2007, 389:1765-1771.
65. Hernández F., Grimalt S., Pozo O., Sancho J. Use of ultra-high-pressure liquid chromatography-quadrupole time-of-flight MS to discover the presence of pesticide metabolites in food samples. J. Sep. Sci 2009, 32:2245-2261.
66. Lacina O., Urbanova J., Poustka J., Hajslova J. Identification/quantification of multiple pesticide residues in food plants by ultra-high-performance liquid chromatography-time-of-flight mass spectrometry. J. Chromatogr. A 2010, 1217:648-659.
67. Jamin E., Bonvallot N., Tremblay-Franco M., Cravedi J., Chevrier C., Cordier S., et al. Untargeted profiling of pesticide metabolites by LC-HRMS: an exposomics tool for human exposure evaluation. Anal. Bioanal. Chem 2013, 10.1007/s00216-013-7136-2.
68. Wang J., Chow W., Leung D., Chang J. Application of ultrahigh-performance liquid chromatography and electrospray ionization quadrupole Orbitrap high-resolution mass spectrometry for determination of 166 pesticides in fruits and vegetables. J. Agric. Food Chem 2012, 60:12088-12104.
69. De Clercq N., Julie V., Croubels S., Delahaut P., Vanhaecke L. A validated analytical method to study the long-term stability of natural and synthetic glucocorticoids in livestock urine using ultra-high performance liquid chromatography coupled to Orbitrap-high resolution mass spectrometry. J. Chromatogr. A 2013, 1301:111-121.
70. Xia B., Liu X., Gu Y.C., Zhang Z.H., Wang H.Y., Ding L.S., et al. Non-target screening of veterinary drugs using tandem mass spectrometry on SmartMass. J. Am. Soc. Mass Spectrom 2013, 24:789-793.
71. León N., Roca M., Igualada C., Martins C., Pastor A., Yusá V. Wide-range screening of banned veterinary drugs in urine by ultra high liquid chromatography coupled to high-resolution mass spectrometry. J. Chromatogr. A 2012, 1258:55-65.
72. Romero-González R., Aguilera-Luiz M., Plaza-Balaños P., Garrido Frenich A. Food contaminant analysis at high resolution mass spectrometry: application for the determination of veterinary drugs in milk. J. Chromatogr. A 2011, 1218:9353-9365.
73. Kaufmann A., Butcher P., Maden K., Widmer M. Quantitative multiresidue method for about 100 veterinary drugs in different meat matrices by sub- 2 um particulate high-performance liquid chromatography coupled to time of flight mass spectrometry. J. Chromatogr. A 2008, 1194:66-79.
74. Kaufmann A., Butcher P., Maden K., Walker S., Widmer M. Development of an improved high resolution mass spectrometry based multi-residue method for veterinary drugs in various food matrices. Anal. Chim. Acta 2011, 700:86-94.
75. Wang J., Chow W., Leung D. Applications of LC/ESI-MS/MS and UHPLC/Qq-TOF-MS for the determination of 141 pesticides in tea. J. AOAC Int 2011, 94:1685-1741.
76. Gómez-Pérez M., Plaza-Bloanos P., Romoero-González R., Martínez-Vidal J., Garrido-Frenich A. Comprehensive qualitative and quantitative determination of pesticides and veterinary drugs in honey using liquid chromatography-Orbitrap high resolution mass spectrometry. J. Chromatogr. A 2012, 1248:130-138.
77. Kaufmann A., Dvorak V., Crüzer C., Butcher P., Maden K., Walker S., et al. Study of high-resolution mass spectrometry technology as a replacement for tandem mass spectrometry in the field of quantitative pesticide residue analysis. J. AOAC Int 2012, 95:528-548.
78. De Dominicis E., Commissati I., Suman M. Targeted screening of pesticides. Veterinary drugs and mycotoxins in bakery ingredients and food commodities by liquid chromatography-high-resolution single-stage Orbitrap mass spectrometry. J. Mass Spectrom 2012, 47:1232-1241.
79. Blay P., Hui J., Chang J., Melanson J. Screening for multiple classes of marine biotoxins by liquid chromatography-high-resolution mass spectrometry. Anal. Bioanal. Chem 2011, 400:577-585.
80. Zachariosova M., Lacina O., Malachova A., Kostelanska M., Poustka J., Godula M., et al. Novel approaches in analysis of Fusarium mycotoxins in cereals employing ultra performance liquid chromatography coupled with high resolution mass spectrometry. Anal. Chim. Acta 2010, 662:51-61.
81. Kaufmann A., Butcher P., Maden K., Walker S., Widmer M. Semi-targeted residue screening in complex matrices with liquid chromatography coupled to high resolution mass spectrometry: current possibilities and limitations. Analyst 2011, 1898-1909.
82. Díaz R., Ibánez M., Sancho J., Hernández F. Target and non-target screening strategies for organic contaminants, residues and illicit substances in food, environment and human biological samples by UHPLC-QTOF-MS. Anal. Methods 2012, 4:196-209.
83. Nurmi J., Pellinen J., Rantalainen A. Critical evaluation of screening techniques for emerging environmental contaminants based on accurate mass measurements with time-of-flight mass spectrometry. J. Mass Spectrom 2012, 47:303-312.
84. Krauss M., Singer H., Hollender J. LC-high resolution MS in environmental analysis: from target screening to the identification of unknowns. Anal. Bioanal. Chem 2010, 397:943-951.
85. Terzic S., Ahel M. Nontarget analysis of polar contaminants in freshwater sediments influenced by pharmaceutical industry using ultra-high-pressure liquid chromatography-quadrupole time-of-flight mass spectrometry. Environ. Pollut 2011, 159:557-566.
86. Nyaka A., Han J., Peru K., Headley J., Borchers C. Comprehensive analysis of oil sands processed water by direct infusion Fourier-transform ion cyclotron resonance mass spectrometry with and without offline UHPLC sample prefractionation. Environ. Sci. Technol 2013, 49:4471-4479.