Mass spectrometry-based holistic analytical approaches for metabolite profiling in systems biology studies

Mass Spectrometry Reviews

Volumn 30, Issue 5, 2011, Pages 884-906

  Theodoridis, Georgios ^a   Gika, Helen G ^a   Wilson, Ian D ^b  

^a ARISTOTLE UNIVERSITY OF THESSALONIKI   (Greece)

^b ASTRAZENECA   (United Kingdom)

Author keywords

global metabolite profiling; hyphenation; mass spectroscopic analysis; metabolomics; metabonomics; separations

Indexed keywords

HYPHENATION; MASS SPECTROSCOPIC ANALYSIS; METABOLITE PROFILING; METABOLOMICS; METABONOMICS;

LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; METABOLISM; METABOLITES; SPECTROSCOPIC ANALYSIS; TISSUE;

BIOMOLECULES;

BIOLOGICAL MARKER;

DEVICES; ELECTROSPRAY MASS SPECTROMETRY; FACTUAL DATABASE; FLOW INJECTION ANALYSIS; HUMAN; LIQUID CHROMATOGRAPHY; METABOLISM; METABOLOME; METABOLOMICS; PH; PRINCIPAL COMPONENT ANALYSIS; PROCEDURES; QUALITY CONTROL; SYSTEMS BIOLOGY; VALIDATION STUDY;

BIOLOGICAL MARKERS; CHROMATOGRAPHY, LIQUID; DATABASES, FACTUAL; FLOW INJECTION ANALYSIS; HUMANS; HYDROGEN-ION CONCENTRATION; METABOLOME; METABOLOMICS; PRINCIPAL COMPONENT ANALYSIS; QUALITY CONTROL; SPECTROMETRY, MASS, ELECTROSPRAY IONIZATION; SYSTEMS BIOLOGY; VALIDATION STUDIES AS TOPIC;

EID: 79960495785     PISSN: 02777037     EISSN: 10982787     Source Type: Journal    
DOI: 10.1002/mas.20306     Document Type: Review

References (102)

1. Aharoni A, de Vos CHR, Verhoeven HA, Maliepaard CA, Kruppa G, Bino R, Goodenowe DB,. 2002. Non-targeted metabolic profiling using Fourier transform ion cyclotron mass spectrometry (FTMS). OMICS 6: 217-234. (Pubitemid 35278415)
2. Almstetter MF, Appel IJ, Gruber MA, Lottaz C, Timischl B, Spang R, Dettmer K, Oefner OJ,. 2009. Integrative normalization and comparative analysis for metabolic fingerprinting by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry. Anal Chem 81: 5731-5739.
3. Arita M,. 2009. What can metabolomics learn from genomics and proteomics? Curr Opin Biotechnol 20: 1-6.
4. Beckmann M, Parker D, Enot DP, Duval E, Draper J,. 2008. High-throughput, nontargeted metabolite fingerprinting using nominal mass flow injection electrospray mass spectrometry. Nat Protoc 3: 486-504. (Pubitemid 351384258)
5. Bertram HC, Malmendal A, Petersen BO, Madsen JC, Pedersen H, Nielsen NC, Hoppe C, MÃlgaard C, Michaelsen KF, Duus JÃ,. 2007. Effect of magnetic field strength on NMR-based metabonomic human urine data. Comparative study of 250, 400 500, and 800 MHz. Anal Chem 79: 7110-7115. (Pubitemid 47438691)
6. Bijlsma B, Bobeldijk I, Verheij ER, Ramaker R, Kochhar S, Macdonald IA, van Ommen B, Smilde AK,. 2006. Large-scale human metabolomics studies: A strategy for data (pre-) processing and validation. Anal Chem 78: 567-574. (Pubitemid 43100391)
7. Blow N,. 2008. Biochemistry's new look. Nature 455: 697-700.
8. Brown SC, Kruppa G, Dasseux JL,. 2005. Metabolomics applications of FT-ICR mass spectrometry. Mass Spectrom Rev 24: 223-231. (Pubitemid 40328975)
9. Burton L, Ivosev G, Tate S, Impey G, Wingate J, Bonner R,. 2008. Instrumental and experimental effects in LC-MS-based metabolomics. J Chromatogr B 871: 227-235.
10. Ceglarek U, Leichtle A, Brugel M, Kortz L, Brauer R, Bresler K, Thiery J, Fiedler GM,. 2009. Challenges and developments in mass spectrometry based clinical metabolomics. Mol Cell Endocrinol 301: 266-271.
11. Coen M, Holmes E, Lindon JC, Nicholson JK,. 2008. NMR-based metabolic profiling and metabonomic approaches to problems in molecular toxicology. Chem Res Toxicol 21: 9-27. (Pubitemid 351219705)
12. Cubbon S, Bradbury T, Wilson J, Thomas-Oates J,. 2007. Hydrophilic interaction chromatography for mass spectrometric metabonomic studies of urine. Anal Chem 79: 8911-8918. (Pubitemid 350231697)
13. Daviss B,. 2005. Growing pains for metabolomics. Scientist 19: 25-28. (Pubitemid 40704807)
14. Ding J, Sorensen CM, Jaitly N, Jiang H, Orton DJ, Monroe ME, Moore RJ, Smith RD, Metz TO,. 2008. Application of the accurate mass and time tag approach in studies of the human blood lipidome. J Chromatogr B 871: 243-252.
15. Dettmer K, Aronov KA, Hammock BD,. 2007. Mass spectrometry-based metabolomics. Mass Spectrom Rev 26: 51-78. (Pubitemid 46051813)
16. Dumas ME, Maibaum EC, Teague C, Ueshima H, Zhou B, Lindon JC, Nicholson JK, Stamler J, Elliott P, Chan Q, Holmes E,. 2006. Assessment of analytical reproducibility of 1H NMR spectroscopy based metabonomics for large-scale epidemiological research: The INTERMAP study. Anal Chem 78: 2199-2208.
17. EC Directive 86/469, 1986. Off J Eur Commun L275: 36.
18. Enot DP, Lin W, Beckmann M, Parker D, Overy DP, Draper J,. 2008. Preprocessing, classification modeling and feature selection using flow injection electrospray mass spectrometry metabolite fingerprint data. Nat Protoc 3: 446-470. (Pubitemid 351384257)
19. Fiehn O,. 2002. Metabolomics-The link between genotypes and phenotypes. Plant Mol Biol 48: 155-171.
20. Fiehn O, Kopka J, Dormann P, Altmann T, Trethewey RN, Willmitzer L,. 2000. Metabolite profiling for plant functional genomics. Nat Biotechnol 18: 1157-1161.
21. Gao P, Lu C, Zhang F, Sang P, Yang D, Li X, Kong H, Yin P, Tian J, Lu X, Lu A, Xu G,. 2008. Integrated GC-MS and LC-MS plasma metabonomics analysis of ankylosing spondylitis. Analyst 133: 1214-1220.
22. Gika HG, Theodoridis GA, Wingate JE, Wilson ID,. 2007. Within-day reproducibility of an HPLC-MS-based method for metabonomic analysis: Application to human urine. J Proteome Res 6: 3291-3303. (Pubitemid 47310213)
23. Gika HG, Theodoridis GA, Wilson ID,. 2008a. Hydrophilic interaction and reversed-phase ultra-performance liquid chromatography TOF-MS for metabonomic analysis of Zucker rat urine. J Separation Sci 31: 1598-1608. (Pubitemid 351890787)
24. Gika HG, Theodoridis GA, Wilson ID,. 2008b. Liquid chromatography and ultra-performance liquid chromatography-mass spectrometry fingerprinting of human urine. Sample stability under different handling and storage conditions for metabonomics studies. J Chromatogr A 1189: 314-322.
25. Gika HG, Theodoridis GA, Extance J, Edge AM, Wilson ID,. 2008a. High temperature-ultra performance liquid chromatography-mass spectrometry for the metabonomic analysis of Zucker rat urine. J Chromatogr B 871: 279-287.
26. Gika HG, Macpherson E, Theodoridis GA, Wilson ID,. 2008b. Evaluation of the repeatability of ultra-performance liquid chromatography-TOF-MS for global metabolic profiling of human urine samples. J Chromatogr B 871: 299-305.
27. Griffiths W, editor. 2007. Metabolomics, metabonomics and metabolite profiling. Cambridge: RSC.
28. Halket JM, Przyborowska A, Stein SE, Mallard WG, Down S, Chalmers RA,. 1999. Deconvolution gas chromatography/mass spectrometry of urinary organic acids-Potential for pattern recognition and automated identification of metabolic disorders. Rapid Commun Mass Spectrom 13: 279-284. (Pubitemid 29101096)
29. Halket JM, Waterman D, Przyborowska AM, Patel RK, Fraser PD, Bramley PM,. 2005. Chemical derivatization and mass spectral libraries in metabolic profiling by GC/MS and LC/MS/MS. J Exp Bot 56: 219-243. (Pubitemid 40181128)
30. Harry EL, Weston DJ, Bristow AWT, Wilson ID, Creaser CS,. 2008. An approach to enhancing coverage of the urinary metabonome using liquid chromatography-ion mobility mass spectrometry. J Chromatogr B 871: 357-361.
31. Idborg H, Zamani L, Edlund PO, Schuppe-Koistinen I, Jacobsson SP,. 2005. Metabolic fingerprinting of rat urine by LC/MS. Part 2. Data pretreatment methods for handling of complex data. J Chromatogr B 828: 14-20. (Pubitemid 41735294)
32. Ivosev G, Burton L, Bonner R,. 2008. Dimensionality reduction and visualization in principal component analysis. Anal Chem 80: 4933-4944. (Pubitemid 351956300)
33. Jackson AU, Werner SR, Talaty N, Song Y, Campbell K, Cooks RG, Morgan JA,. 2008. Targeted metabolomic analysis of Escherichia coli by desorption electrospray ionization and extractive electrospray ionization mass spectrometry. Anal Biochem 375: 272-281.
34. Jia L, Terabe S,. 2005. Capillary electrophoresis and its application in metabolome analysis. In:, Vaidyanathan S, Harrigan GG, Goodacre R, editors. Metabolome analysis. New York: Springer. pp 83-101.
35. Kanani H, Chrysanthopoulos PK, Klapa MI,. 2008. Standardizing GC-MS metabolomics. J Chromatogr B 871: 191-201.
36. Katajamaa M, Orešič M,. 2007. Data processing for mass spectrometry-based metabolomics. J Chromatogr A 1158: 318-328. (Pubitemid 47021150)
37. Kind T, Fiehn O,. 2007. Seven golden rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinformatics 8: 105.
38. t'Kindt R, Morreel K, Deforce D, Boerjan W, Bocxlaer JV,. 2009. Joint GC-MS and LC-MS platforms for comprehensive plant metabolomics: Repeatability and sample pre-treatment. J Chromatogr B 877: 3572-3280.
39. Koulman A, Lane GA, Harrison SJ, Volmer DA,. 2009. From differentiating metabolites to biomarkers. Anal Bioanal Chem 394: 663-670.
40. Kraly JR, Holcomb RE, Guan Q, Henry CS,. 2009. Review: Microfluidic applications in metabolomics and metabolic profiling. Anal Chim Acta 653: 23-35.
41. Kuhara T,. 2005. Gas chromatographic-mass spectrometric urinary metabolome analysis to study mutations of inborn errors of metabolism. Mass Spectrom Rev 24: 817-827.
42. Lai L, Michopoulos F, Gika H, Theodoridis G, Wilkinson R, Odedra R, Wingate J, Bonner R, Tate S, Wilson ID,. 2009. Methodological considerations in the development of HPLC-MS methods for the analysis of rodent plasma for metabonomic studies. Mol Biosyst 6: 108-120.
43. Lapainis T, Rubakhin SS, Sweedler JV,. 2009. Capillary electrophoresis with electrospray ionization mass spectrometric detection for single-cell metabolomics. Anal Chem 81: 5858-5864.
44. Lauridsen M, Hansen SH, Jaroszewski JW, Cornett C,. 2007. Human urine as test material in 1H NMR-based metabonomics: Recommendations for sample preparation and storage. Anal Chem 79: 1181-1186.
45. 1H nuclear magnetic resonance spectroscopy and liquid chromatography/mass spectrometry with pattern recognition techniques for evaluation of metabolic profile associated with albuminuria. J Proteome Res 8: 1828-1837.
46. Lenz EM, Bright J, Knight R, Wilson ID, Major H,. 2004a. A metabonomic investigation of the biochemical effects of mercuric chloride in the rat using 1H NMR and HPLC-TOF/MS: Time dependent changes in the urinary profile of endogenous metabolites as a result of nephrotoxicity. Analyst 129: 535-541. (Pubitemid 38813520)
47. Lenz EM, Bright J, Knight R, Wilson ID, Major H,. 2004b. Cyclosporin A-induced changes in endogenous metabolites in rat urine: A metabonomic investigation using high field 1H NMR spectroscopy, HPLC-TOF/MS and chemometrics. J Pharm Biomed Anal 35: 599-608. (Pubitemid 38609380)
48. Lenz EM, Wilson ID,. 2007. Analytical strategies in metabonomics. J Proteome Res 6: 443-458. (Pubitemid 46340149)
49. Levandi T, Leõn C, Kaljurand M, García-Cañas V, Alejandro C,. 2008. Capillary electrophoresis time-of-flight mass spectrometry for comparative metabolomics of transgenic versus conventional maize. Anal Chem 80: 6329-6335.
50. Lin HM, Edmunds SJ, Helsby NA, Ferguson LR, Rowan DD,. 2009. Nontargeted urinary metabolite profiling of a mouse model of Crohn's disease. J Proteome Res 8: 2045-2057.
51. Lindon J, Nicholson JK, Holmes E, editors. 2007. The Handbook of Metabonomics and Metabolomics. Amsterdam: Elsevier.
52. Lindon JC, Nicholson JK,. 2008. Analytical technologies for metabonomics and metabolomics, and multi-omic information recovery. Trends Anal Chem 27: 194-204. (Pubitemid 351436617)
53. Loftus N, Miseki K, Iida J, Gika HG, Theodoridis G, Wilson ID,. 2008. Profiling and biomarker identification in plasma from different Zucker rat strains via high mass accuracy multistage mass spectrometric analysis using liquid chromatography/mass spectrometry with a quadrupole ion trap-time of flight mass spectrometer. Rapid Commun Mass Spec 22: 2547-2554.
54. Lommen A,. 2009. MetAlign: Interface-driven, versatile metabolomics tool for hyphenated full-scan mass spectrometry data preprocessing. Anal Chem 81: 3079-3086.
55. Lu H, Dunn WB, Shen H, Kell DB, Liang Y,. 2008a. Comparative evaluation of software for deconvolution of metabolomics data based on GC-TOF-MS. Trends Anal Chem 27: 215-227.
56. Lu X, Zhao X, Bai C, Zhao C, Lu G, Xu G,. 2008b. LC-MS-based metabonomics analysis. J Chromatogr B 866: 64-76. (Pubitemid 351491682)
57. Maher AD, Zirah SFM, Holmes E, Nicholson JK,. 2007. Experimental and analytical variation in human urine in 1H NMR spectroscopy-based metabolic phenotyping studies. Anal Chem 79: 5204-5211. (Pubitemid 47121031)
58. Michopoulos F, Lai L, Gika H, Theodoridis G, Wilson ID,. 2009. UPLC-MS-based analysis of human plasma for metabonomics using solvent precipitation or solid phase extraction. J Proteome Res 8: 2114-2121.
59. Nicholson JK, Lindon JC, Holmes E,. 1999. 'Metabonomics': Understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data. Xenobiotica 29: 1181-1189.
60. Nicholson JK, Connelly J, Lindon JC, Holmes E,. 2002. Metabonomics: A platform for studying drug toxicity and gene function. Nat Rev Drug Discov 1: 153-161. (Pubitemid 41646523)
61. Nordstrom A, Want E, Northen T, Lehtio J, Siuzdak G,. 2008. Multiple ionization mass spectrometry strategy used to reveal the complexity of metabolomics. Anal Chem 80: 421-429.
62. Overy DP, Enot DP, Tailliart K, Jenkins H, Parker D, Beckmann M, Draper J,. 2008. Explanatory signal interpretation and metabolite identification strategies for nominal mass FIE-MS metabolite fingerprints. Nat Protoc 3: 471-485. (Pubitemid 351372234)
63. Pandher R, Ducruix C, Eccles SA, Raynaud FI,. 2009. Cross platform Q-TOF validation of global exo-metabolomic analysis: Application to human glioblastoma cells treated with theb standard P1 3-kinase inhibitor. J Chromatogr B 877: 1352-1358.
64. Pasikanti KK, Ho PC, Chan ECY,. 2008. Gas chromatography/mass spectrometry in metabolic profiling of biological fluids. J Chromatogr B 871: 202-211.
65. Plumb RS, Stumpf CL, Gorenstein MV, Castro-Perez JM, Dear GJ, Anthony M, Sweatman BC, Connor SC, Haselden JN,. 2002. Metabonomics: The use of electrospray mass spectrometry coupled to reversed-phase liquid chromatography shows potential for the screening of rat urine in drug development. Rapid Commun Mass Spectrom 16: 1991-1996.
66. Plumb R, Granger J, Stumpf C, Wilson ID, Evans JA, Lenz EM,. 2003a. Metabonomic analysis of mouse urine by liquid-chromatography-time of flight mass spectrometry (LC-TOFMS): Detection of strain, diurnal and gender differences. Analyst 128: 819-823. (Pubitemid 36897868)
67. Plumb RS, Stumpf CL, Granger JH, Castro-Perez J, Haselden JN, Dear GJ,. 2003b. Use of liquid chromatography/time-of-flight mass spectrometry and multivariate statistical analysis shows promise for the detection of drug metabolites in biological fluids. Rapid Commun Mass Spectrom 17: 2632-2638. (Pubitemid 37498776)
68. Plumb RS, Rainville P, Smith BW, Johnson KA, Castra-Perez J, Wilson ID, Nicholson JK,. 2006. Generation of ultrahigh peak capacity LC separations via elevated temperatures and high linear mobile-phase velocities. Anal Chem 788: 7278-7283. (Pubitemid 44608185)
69. Plumb RS, Rainville PD, Potts WB III, Johnson KA, Gika E, Wilson ID,. 2009. Application of ultra performance liquid chromatography-mass spectrometry to profiling rat and dog bile. J Proteome Res 8: 2495-2500.
70. Ramautar R, Mayboroda OA, Deelder AM, Somsen GW, de Jong GJ,. 2008a. Metabolic analysis of body fluids by capillary electrophoresis using noncovalently coated capillaries. J Chromatogr B 871: 370-374.
71. Ramautar R, Somsen GW, de Jong GJ,. 2008b. CE-MS in metabolomics. Electrophoresis 30: 276-291.
72. Robertson D, Lindon J, Nicholson JK, Holmes E, editors. 2005. Metabonomics in toxicity assessment. Boca Raton, FL, USA: CRC Press.
73. Sana TR, Waddell K, Fischer SM,. 2008. A sample extraction and chromatographic strategy for increasing LC/MS detection coverage of the erythrocyte metabolome. J Chromatogr B 871: 314-321.
74. Sangster T, Major H, Plumb R, Wilson AJ, Wilson ID,. 2006. A pragmatic and readily implemented quality control strategy for HPLC-MS and GC-MS-based metabonomic analysis. Analyst 131: 1075-1078. (Pubitemid 44465534)
75. Sato S, Soga T, Nishioka T, Tomita M,. 2004. Simultaneous determination of the main metabolites in rice leaves using capillary electrophoresis mass spectrometry and capillary electrophoresis diode array detection. Plant J 40: 151-163. (Pubitemid 39342602)
76. Shellie RA, Welthagen CW, Zrostlikova J, Spranger J, Ristow M, Fiehn O, Zimmermann R,. 2005. Statistical methods for comparing comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry results: Metabolomic analysis of mouse tissue extracts. J Chromatogr A 1086: 83-90. (Pubitemid 41033272)
77. Smith CA, Want EJ, O'Maille G, Abagyan R, Siuzdak G,. 2006. XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. Anal Chem 78: 779-787. (Pubitemid 43228585)
78. Soga T, Ohashi Y, Ueno Y, Naraoka H, Tomita M, Nishioka T,. 2003. Quantitative metabolome analysis using capillary electrophoresis mass spectrometry. J Proteome Res 2: 488-494. (Pubitemid 37376843)
79. Soga T, Baran R, Suematsu M, Ueno Y, Ikeda S, Sakurakawa T, Kakazu Y, Ishikawa T, Robert M, Nishioka T, Tomita M,. 2006. Differential metabolomics reveals ophthalmic acid as an oxidative stress biomarker indicating hepatic glutathione consumption. J Biol Chem 281: 16768-16776.
80. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM,. 2009. Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature 457: 910-914.
81. Strehmel N, Hummel J, Erban A, Strassburg K, Kopka J,. 2008. Retention index thresholds for compound matching in GC-MS metabolite profiling. J Chromatogr B 871: 182-190.
82. Theodoridis G, Gika HG, Wilson ID,. 2008. LC-MS-based methodology for global metabolite profiling in metabonomics/metabolomics. Trends Anal Chem 27: 251-260.
83. Tohge T, Fernie A,. 2009. Web-based resources for mass-spectrometry-based metabolomics: A user's guide. Phytochemistry 70: 450-456.
84. Tolstikov VV, Fiehn O, Tanaka N,. 2007. Application of liquid chromatography-mass spectrometry analysis in metabolomics: Reversed-phase monolithic capillary chromatography and hydrophilic chromatography coupled to electrospray ionization-mass spectrometry in metabolomics: Methods and protocols/methods in molecular biology, Vol. 358. Heidelberg: Springer. pp 141-155.
85. Trygg J, Holmes H, Lundstedt T,. 2007. Chemometrics in metabonomics. J Proteome Res 6: 469-479. (Pubitemid 46340151)
86. Ullsten S, Danielsson R, Bäckström D, Sjöberg P, Bergquist J,. 2006. Urine profiling using capillary electrophoresis-mass spectrometry and multivariate data analysis. J Chromatogr A 1117: 87-93.
87. Veenstra TD, Zhou M,. 2009. Tissue proteomics and metabolomics: An excellent start and a promising future. J Proteome Res 8: 1617.
88. Villas-Boas SG, Mas S, Akesson M, Smedsgaard J, Nielsen J,. 2005. Mass spectrometry in metabolome analysis. Mass Spectrom Rev 24: 613-646. (Pubitemid 41621943)
89. Viswanathan C, Bansal S, Booth B, DeStefano A, Rose M, Sailstad J, Shah V, Skelly J, Swann P, Weiner R,. 2007. Workshop/conference report-Quantitative bioanalytical methods validation and implementation: Best practices for chromatographic and ligand binding assays. AAPS J 9: E3-E42.
90. Wang Y, Wang J, Yao M, Zhao X, Fritsche J, Schmitt-Kopplin P, Cai Z, Wan D, Lu X, Yang S, Gu J, Häring HU, Schleicher ED, Lehmann R, Xu G,. 2008. Metabonomics study on the effects of the ginsenoside Rg3 in a β-cyclodextrin-based formulation on tumor-bearing rats by a fully automatic hydrophilic interaction/reversed-phase column-switching HPLC-ESI-MS approach. Anal Chem 80: 4680-4688. (Pubitemid 351842348)
91. Want EJ, Cravatt BF, Siuzdak G,. 2005. The expanding role of mass spectrometry in metabolite profiling and characterization. ChemBiochem 6: 1941-1951. (Pubitemid 41598162)
92. Weinmann W, Stoertzel M, Vogt S, Wendt J,. 2001. Tune compounds for electrospray ionisation/in-source collision-induced dissociation with mass spectral library searching. J Chromatogr A 926: 199-209. (Pubitemid 32739019)
93. Welthagen W, Shellie RA, Spranger J, Ristow M, Zimmermann R,. 2005. Comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GCÃ - GC-TOF) for high resolution metabolomics: Biomarker discovery on spleen tissue extracts of obese NZO compared to lean C57BL/6 mice. Metabolomics 1: 65-73. (Pubitemid 40973873)
94. Werner E, Heilier JF, Ducruix C, Ezan E, Junot C, Tabet JC,. 2008. Mass spectrometry for the identification of the discriminating signals from metabolomics: Current status and future trends. J Chromatogr B 871: 143-163.
95. Wilson ID, Wade KE, Nicholson JK,. 1989. Analysis of biological fluids by high-field nuclear magnetic resonance spectroscopy. Trends Anal Chem 8: 368-374. (Pubitemid 20667707)
96. Wilson ID, Nicholson JK, Castro-Perez J, Granger JH, Johnson KA, Smith BW, Plumb RS,. 2005a. High resolution "ultra performance" liquid chromatography coupled to OA-TOF mass spectrometry as a tool for differential metabolic pathway profiling in functional genomic studies. J Proteome Res 4: 591-598. (Pubitemid 40548168)
97. Wilson ID, Plumb R, Granger J, Major H, Williams R, Lenz EM,. 2005b. HPLC-MS-based methods for the study of metabonomics. J Chromatogr B 817: 67-76. (Pubitemid 40174790)
98. Wishart DS, Tzur D, Knox C, Eisner R, Guo AC, Young N, Cheng D, Jewell K, Arndt D, Sawhney S, Fung C, Nikolai L, Lewis M, Coutouly MA, Forsythe I, Tang P, Shrivastava S, Jeroncic K, Stothard P, Amegbey G, Block D, Hau DD, Wagner J, Miniaci J, Clements M, Gebremedhin M, Guo N, Zhang Y, Duggan GE, Macinnis GD, Weljie AM, Dowlatabadi R, Bamforth F, Clive D, Greiner R, Li L, Marrie T, Sykes BD, Vogel HJ, Querengesser L,. 2007. HMDB: The Human Metabolome Database. Nucleic Acids Res 35: D521-D526. (Pubitemid 46056263)
99. Wishart DS, Lewis MJ, Morrissey JA, Flegel MD, Jeroncic K, Xiong Y, Cheng D, Eisner R, Gautam B, Tzur D, Sawhney S, Bamforth F, Greiner R, Li L,. 2008. The human cerebrospinal fluid metabolome. J Chromatogr B 871: 164-173.
100. Wu Z, Huang Z, Lehmann R, Zho C, Xu G,. 2009. The application of chromatography-mass spectrometry: Methods to metabonomics. Chromatographia 69: S23-S32.
101. Zelena E, Dunn WB, Broadhurst D, McIntyre SF, Carroll KM, Begley P, O'Hagan S, Knowles JD, Halsall A, Wilson ID, Kell DB,. 2009. Development of a robust and repeatable UPLC-MS method for the long-term metabolomic study of human serum. Anal Chem 81: 1357-1364.
102. Zhou M, McDonald JF, Fernández FM,. 2009. Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting. J Am Soc Mass Spectrom 21: 68-75.