Mass spectrometry for the identification of the discriminating signals from metabolomics: Current status and future trends

Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences

Volumn 871, Issue 2, 2008, Pages 143-163

  Werner, Erwan ^a   Heilier, Jean François ^a,b   Ducruix, Céline ^a   Ezan, Eric ^a   Junot, Christophe ^a   Tabet, Jean Claude ^c  

^a DIF   (France)

^b UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^c Centre National de la Recherche Scientifique   (France)

Author keywords

Identification; Mass spectrometry; Metabolomics; Metabonomics

Indexed keywords

ATMOSPHERIC PRESSURE; CHEMICAL ANALYSIS; DATA VISUALIZATION; ELECTROSPRAY IONIZATION; IDENTIFICATION (CONTROL SYSTEMS); MASS SPECTROMETRY;

ATMOSPHERIC PRESSURE IONIZATION MASS SPECTROMETRIES; COMPLEX DATASETS; CURRENT STATUS; ELEMENTAL COMPOSITIONS; FUTURE TRENDS; IDENTIFICATION PROCESS; METABOLOMICS; METABONOMICS;

ATMOSPHERIC IONIZATION;

ANALYTIC METHOD; ANALYZER; BIOCHEMISTRY; COLLISIONALLY ACTIVATED DISSOCIATION; DATA BASE; FRAGMENTATION REACTION; KENDRICK PLOT; MASS SPECTROMETRY; MATHEMATICAL ANALYSIS; METABOLITE; METABOLOMICS; MOLECULAR WEIGHT; PRIORITY JOURNAL; REDUNDANCY ANALYSIS; REVIEW; SIGNAL DETECTION; STANDARDIZATION; STATISTICAL ANALYSIS; STRENGTH; STRUCTURE ANALYSIS; VAN KREVELEN PLOT;

EID: 48749115768     PISSN: 15700232     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jchromb.2008.07.004     Document Type: Review

References (202)

1. Fiehn O., Kloska S., and Altmann T. Curr. Opin. Biotechnol. 12 (2001) 82
2. Nicholson J.K., Connelly J., Lindon J.C., and Holmes E. Nat. Rev. Drug Discov. 1 (2002) 153
3. Fiehn O. Plant Mol. Biol. 48 (2002) 155
4. Sumner L.W., Mendes P., and Dixon R.A. Phytochemistry 62 (2003) 817
5. Katajamaa M., and Oresic M. J. Chromatogr. A 1158 (2007) 318
6. Bijlsma S., Bobeldijk I., Verheij E.R., Ramaker R., Kochhar S., Macdonald I.A., van O.B., and Smilde A.K. Anal. Chem. 78 (2006) 567
7. Holmes E., and Antti H. Analyst 127 (2002) 1549
8. Trygg J., Holmes E., and Lundstedt T. J. Proteome Res. 6 (2007) 469
9. Holmes E., Nicholls A.W., Lindon J.C., Ramos S., Spraul M., Neidig P., Connor S.C., Connelly J., Damment S.J., Haselden J., and Nicholson J.K. NMR Biomed. 11 (1998) 235
10. Fiehn O., Kopka J., Trethewey R.N., and Willmitzer L. Anal. Chem. 72 (2000) 3573
11. Aharoni A., Ric de Vos C.H., Verhoeven H.A., Maliepaard C.A., Kruppa G., Bino R., and Goodenowe D.B. OMICS 6 (2002) 217
12. Trauger S.A., Go E.P., Shen Z., Apon J.V., Compton B.J., Bouvier E.S., Finn M.G., and Siuzdak G. Anal. Chem. 76 (2004) 4484
13. S. Vaidyanathan, D. Jones, T. Jenkins, D.B. Kell, R. Goodacre, Abstracts of Papers of the 229th ACS National meeting, 2005, p. BIOT 414.
14. Wilson I.D., Nicholson J.K., Castro-Perez J., Granger J.H., Johnson K.A., Smith B.W., and Plumb R.S. J. Proteome Res. 4 (2005) 591
15. Vaidyanathan S., Gaskell S., and Goodacre R. Rapid Commun. Mass Spectrom. 20 (2006) 1192
16. Dettmer K., Aronov P.A., and Hammock B.D. Mass Spectrom. Rev. 26 (2007) 51
17. Huang G., Chen H., Zhang X., Cooks R.G., and Ouyang Z. Anal. Chem. 79 (2007) 8327
18. Jia L.W., Wang C., Zhao S.M., Lu X., and Xu G.W. J. Chromatogr. B 860 (2007) 134
19. Vaidyanathan S., Jones D., Ellis J., Jenkins T., Chong C., Anderson M., and Goodacre R. Rapid Commun. Mass Spectrom. 21 (2007) 2157
20. Craig A., Cloarec O., Holmes E., Nicholson J.K., and Lindon J.C. Anal. Chem. 78 (2006) 2262
21. van den Berg R.A., Hoefsloot H.C., Westerhuis J.A., Smilde A.K., and van der Werf M.J. BMC Genomics 7 (2006) 142
22. Ducruix C., Vailhen D., Werner E., Fievet J.B., Bourgignon J., Tabet J.C., Ezan E., and Junot C. Chemom. Intell. Lab. Syst. 91 (2008) 67
23. Wolfender J.L., Ndjoko K., and Hostettmann K. J. Chromatogr. A 1000 (2003) 437
24. Molyneux R.J., and Schieberle P. J. Agric. Food Chem. 55 (2007) 4625
25. Tolstikov V.V., and Fiehn O. Anal. Biochem. 301 (2002) 298
26. Lafaye A., Junot C., Ramounet-Le Gall B., Fritsch P., Tabet J.C., and Ezan E. Rapid Commun. Mass Spectrom. 17 (2003) 2541
27. Bogusz M.J., Maier R.D., Kruger K.D., Webb K.S., Romeril J., and Miller M.L. J. Chromatogr. A 844 (1999) 409
28. Cui Q., Lewis I.A., Hegeman A.D., Anderson M.E., Li J., Schulte C.F., Westler W.M., Eghbalnia H.R., Sussman M.R., and Markley J.L. Nat. Biotechnol. 26 (2008) 162
29. Chen J., Zhao X., Fritsche J., Yin P., Schmitt-Kopplin P., Wang W., Lu X., Haring H.U., Schleicher E.D., Lehmann R., and Xu G. Anal. Chem. 80 (2008) 1280
30. Vekey K. J. Mass Spectrom. 31 (1996) 445
31. Grill V., Shen J., Evans C., and Cooks R.G. Rev. Sci. Instrum. 72 (2001) 3149
32. Rosenberg E. J. Chromatogr. A 1000 (2003) 841
33. Raffaelli A., and Saba A. Mass Spectrom. Rev. 22 (2003) 318
34. Cody R.B., Laramee J.A., and Durst H.D. Anal. Chem. 77 (2005) 2297
35. Morlock G., and Ueda Y. J. Chromatogr. A 1143 (2007) 243
36. Whitehouse C.M., Dreyer R.N., Yamashita M., and Fenn J.B. Anal. Chem. 57 (1985) 675
37. Takats Z., Wiseman J.M., Gologan B., and Cooks R.G. Science 306 (2004) 471
38. Chen H.W., Pan Z.Z., Talaty N., Raftery D., and Cooks R.G. Rapid Commun. Mass Spectrom. 20 (2006) 1577
39. Pan Z.Z., Gu H.W., Talaty N., Chen H.W., Shanaiah N., Hainline B.E., Cooks R.G., and Raftery D. Anal. Bioanal. Chem. 387 (2007) 539
40. Schneider B.B., and Chen D.D.Y. Anal. Chem. 72 (2000) 791
41. Schneider B.B., Douglas D.J., and Chen D.D.Y. J. Am. Soc. Mass Spectrom. 12 (2001) 772
42. Schwartz J.C., Wade A.P., Enke C.G., and Cooks R.G. Anal. Chem. 62 (1990) 1809
43. De Hoffman E., and Stroobant V. Mass Spectrometry: Principles and Applications. 3rd ed. (2007), John Wiley and Sons Ltd., West Sussex, UK
44. March R.E., and Todd J.F.J. Practical Aspects of Ion Trap Mass Spectrometry: Fundamentals of Ion Trap Mass Spectrometry vol. I (1995), CRC-Press, Boca Raton, FL
45. March R.E., and Todd J.F.J. Practical Aspects of Ion Trap Mass Spectrometry: Ion Trap Instrumentation vol. II (1995), CRC-Press, Boca Raton, FL
46. March R.E., and Todd J.F.J. Practical Aspects of Ion Trap Mass Spectrometry: Chemical, Environmental and Biomedical Applications vol. III (1995), CRC-Press, Boca Raton, FL
47. Douglas D.J., Frank A.J., and Mao D.M. Mass Spectrom. Rev. 24 (2005) 1
48. Heeren R.M.A., Kleinnijenhuis A.J., McDonnell L.A., and Mize T.H. Anal. Bioanal. Chem. 378 (2004) 1048
49. Hardman M., and Makarov A.A. Anal. Chem. 75 (2003) 1699
50. Hu Q., Noll R.J., Li H., Makarov A., Hardman M., and Cooks R.G. J. Mass Spectrom. 40 (2005) 430
51. Makarov A., Denisov E., Lange O., and Horning S. J. Am. Soc. Mass Spectrom. 17 (2006) 977
52. Makarov A. Anal. Chem. 72 (2000) 1156
53. Mclafferty F.W. Interpretation of Mass Spectra. 4th ed. (1993), Wiley University Science Book, New York
54. Bristow A.W.T., Webb K.S., Lubben A.T., and Halket J. Rapid Commun. Mass Spectrom. 18 (2004) 1447
55. K.K. Murray, R.K. Boyd, M.N. Eberlin, G.J. Langley, L. Li, Y. Naito, J.C. Tabet, Abstracts of Papers of the 229th ACS National meeting, 2005, p. ANYL-212.
56. J. Castro-Perez, M. McCullagh, A. Millar, Waters Technical Note, 720001170EN, 2005.
57. M. McCullagh, J. Castro-Perez, L. Calton, Waters Technical Note, 720001596EN, 2006.
58. Makarov A., Denisov E., Kholomeev A., Balschun W., Lange O., Strupat K., and Horning S. Anal. Chem. 78 (2006) 2113
59. Lim H.K., Chen J., Sensenhauser C., Cook K., and Subrahmanyam V. Rapid Commun. Mass Spectrom. 21 (2007) 1821
60. Peterman S.M., Duczak Jr. N., Kalgutkar A.S., Lame M.E., and Soglia J.R. J. Am. Soc. Mass Spectrom. 17 (2006) 363
61. Ruan Q., Peterman S., Szewc M.A., Ma L., Cui D., Humphreys W.G., and Zhu M. J. Mass Spectrom. 43 (2008) 251
62. Koch B.P., Dittmar T., Witt M., and Kattner G. Anal. Chem. 79 (2007) 1758
63. Meija J. Anal. Bioanal. Chem. 385 (2006) 486
64. McLafferty F.W., and Turecek F. Interpretation of Mass Spectra. 4th ed. (1993), Wiley University Science Book, New York
65. Bristow A.W. Mass Spectrom. Rev. 25 (2006) 99
66. Kind T., and Fiehn O. BMC Bioinform. 8 (2007) 105
67. Kind T., and Fiehn O. BMC Bioinform. 7 (2006) 234
68. Henry K.D., Williams E.R., Wang B.H., McLafferty F.W., Shabanowitz J., and Hunt D.F. Proc. Natl. Acad. Sci. U.S.A. 86 (1989) 9075
69. Ojanpera S., Pelander A., Pelzing M., Krebs I., Vuori E., and Ojanpera I. Rapid Commun. Mass Spectrom. 20 (2006) 1161
70. Grange A.H., Zumwalt M.C., and Sovocool G.W. Rapid Commun. Mass Spectrom. 20 (2006) 89
71. Hegeman A.D., Schulte C.F., Cui Q., Lewis I.A., Huttlin E.L., Eghbalnia H., Harms A.C., Ulrich E.L., Markley J.L., and Sussman M.R. Anal. Chem. 79 (2007) 6912
72. Stenson A.C., Marshall A.G., and Cooper W.T. Anal. Chem. 75 (2003) 1275
73. Kujawinski E.B., and Behn M.D. Anal. Chem. 78 (2006) 4363
74. Hughey C.A., Hendrickson C.L., Rodgers R.P., Marshall A.G., and Qian K. Anal. Chem. 73 (2001) 4676
75. Yoo H.J., Liu H., and Hakansson K. Anal. Chem. 79 (2007) 7858
76. Woodin R.L., Bomse D.S., and Beauchamp J.L. J. Am. Soc. Mass Spectrom. 100 (1978) 3248
77. Little D.P., Speir J.P., Senko M.W., O'Connor P.B., and McLafferty F.W. Anal. Chem. 66 (1994) 2809
78. Kruger N.A., Zubarev R.A., Horn D.M., and McLafferty F.W. Int. J. Mass Spectrom. 187 (1999) 787
79. Levsen K. Fundamental Aspects of Organic Mass Spectrometry (1978), Verlag chemie, Weinheim
80. Cooks R.G. Collision spectroscopy vol. xiv (1978), Plenum Press, New York
81. Busch K.L., Glish G.L., and McLuckey S.A. Mass Spectrometry/Mass Spectrometry: Techniques and Applications of Tandem Mass Spectrometry (1988), VCH Publishers, New York
82. Clayton E., and Bateman R.H. Rapid Commun. Mass Spectrom. 6 (1992) 719
83. Lewandrowski U., Resemann A., and Sickmann A. Anal. Chem. 77 (2005) 3274
84. Cooks R.G., Beynon J.H., and Litton J.F. Org. Mass Spectrom. 10 (1975) 503
85. Cotter R.J., Griffith W., and Jelinek C. J. Chromatogr. B 855 (2007) 2
86. Sun G., Yang K., Zhao Z., Guan S., Han X., and Gross R.W. Anal. Chem. 79 (2007) 6629
87. Jensen N.J., Tomer K.B., and Gross M.L. J. Am. Chem. Soc. 107 (1985) 1863
88. Tomer K.B., Crow F.W., and Gross M.L. J. Am. Chem. Soc. 105 (1983) 5487
89. Adams J. Mass Spectrom. Rev. 9 (1990) 141
90. Cheng C.F., and Gross M.L. Mass Spectrom. Rev. 19 (2000) 398
91. Murphy R.C., Fiedler J., and Hevko J. Chem. Rev. 101 (2001) 479
92. March R.E., Li H.X., Belgacem O., and Papanastasiou D. Int. J. Mass Spectrom. 262 (2007) 51
93. McLuckey S.A., and Goeringer D.E. J. Mass Spectrom. 32 (1997) 461
94. Hunt D.F., Shabanowitz J., and Yates J.R. J. Chem. Soc. Chem. Commun. 8 (1987) 548
95. Tsybin Y.O., Witt M., Baykut G., Kjeldsen F., and Hakansson P. Rapid Commun. Mass Spectrom. 17 (2003) 1759
96. Hashimoto Y., Hasegawa H., Yoshinari K., and Waki I. Anal. Chem. 75 (2003) 420
97. Wilson J.J., and Brodbelt J.S. Anal. Chem. 79 (2007) 2067
98. Cody R.B., and Freiser B.S. Anal. Chem. 51 (1979) 547
99. Budnik B.A., Haselmann K.F., Elkin Y.N., Gorbach V.I., and Zubarev R.A. Anal. Chem. 75 (2003) 5994
100. Idborg-Bjorkman H., Edlund P.O., Kvalheim O.M., Schuppe-Koistinen I., and Jacobsson S.P. Anal. Chem. 75 (2003) 4784
101. Bajad S.U., Lu W.Y., Kimball E.H., Yuan J., Peterson C., and Rabinowitz J.D. J. Chromatogr. A 1125 (2006) 76
102. Lafaye A., Junot C., Ramounet-Le Gall B., Fritsch P., Ezan E., and Tabet J.C. J. Mass Spectrom. 39 (2004) 655
103. Wagner S., Scholz K., Donegan M., Burton L., Wingate J., and Volkel W. Anal. Chem. 78 (2006) 1296
104. Yan Z., and Caldwell G.W. Anal. Chem. 76 (2004) 6835
105. Bicker W., Lammerhofer M., Genser D., Kiss H., and Lindner W. Toxicol. Lett. 159 (2005) 235
106. Coulier L., Bas R., Jespersen S., Verheij E., van der Werf M.J., and Hankemeier T. Anal. Chem. 78 (2006) 6573
107. Kite G.C., Howes M.J., and Simmonds M.S. Rapid Commun. Mass Spectrom. 18 (2004) 2859
108. Bantscheff M., Boesche M., Eberhard D., Matthieson T., Sweetman G., and Kuster B. Mol. Cell Proteomics (2008)
109. Griffin T.J., Xie H., Bandhakavi S., Popko J., Mohan A., Carlis J.V., and Higgins L. J. Proteome Res. 6 (2007) 4200
110. Schwartz J.C., Senko M.W., and Syka J.E. J. Am. Soc. Mass Spectrom. 13 (2002) 659
111. Koulman A., Tapper B.A., Fraser K., Cao M., Lane G.A., and Rasmussen S. Rapid Commun. Mass Spectrom. 21 (2007) 421
112. Hager J.W., and Le Blanc J.C.Y. Rapid Commun. Mass Spectrom. 17 (2003) 1056
113. Hammel Y.A., Mohamed R., Gremaud E., Lebreton M.H., and Guy P.A. J. Chromatogr. A 1177 (2008) 58
114. Hopfgartner G., Varesio E., Tschappat V., Grivet C., Bourgogne E., and Leuthold L.A. J. Mass Spectrom. 39 (2004) 845
115. Li A.C., Gohdes M.A., and Shou W.Z. Rapid Commun. Mass Spectrom. 21 (2007) 1421
116. Krutchinsky A.N., Chernushevich I.V., Spicer V.L., Ens W., and Standing K.G. J. Am. Soc. Mass Spectrom. 9 (1998) 569
117. Patterson A.D., Li H., Eichler G.S., Krausz K.W., Weinstein J.N., Fornace Jr. A.J., Gonzalez F.J., and Idle J.R. Anal. Chem. 80 (2008) 665
118. Plumb R.S., Johnson K.A., Rainville P., Smith B.W., Wilson I.D., Castro-Perez J.M., and Nicholson J.K. Rapid Commun. Mass Spectrom. 20 (2006) 1989
119. Tanaka K., Tamura T., Fukuda S., Batkhuu J., Sanchir C., and Komatsu K. Phytochemistry 69 (2008) 2081
120. Campbell J.M., Collings B.A., and Douglas D.J. Rapid Commun. Mass Spectrom. 12 (1998) 1463
121. Yokosuka T., Yoshinari K., Kobayashi K., Ohtake A., Hirabayashi A., Hashimoto Y., Waki I., and Takao T. Rapid Commun. Mass Spectrom. 20 (2006) 2589
122. Ding J., Sorensen C.M., Zhang Q., Jiang H., Jaitly N., Livesay E.A., Shen Y., Smith R.D., and Metz T.O. Anal. Chem. 79 (2007) 6081
123. Thevis M., Makarov A.A., Horning S., and Schanzer W. Rapid Commun. Mass Spectrom. 19 (2005) 3369
124. Olsen J.V., Macek B., Lange O., Makarov A., Horning S., and Mann M. Nat. Methods 4 (2007) 709
125. Brown S.C., Kruppa G., and Dasseux J.L. Mass Spectrom. Rev. 24 (2005) 223
126. Shen Y., Zhang R., Moore R.J., Kim J., Metz T.O., Hixson K.K., Zhao R., Livesay E.A., Udseth H.R., and Smith R.D. Anal. Chem. 77 (2005) 3090
127. Siegel M.M. Anal. Chem. 60 (1988) 2090
128. Chi H.T., and Baker J.K. Org. Mass Spectrom. 28 (1993) 12
129. Sierra M.D., Furey A., Hamilton B., Lehane M., and James K.J. J. Mass Spectrom. 38 (2003) 1178
130. Kamel A.M., and Munson B. Eur. J. Mass Spectrom. 10 (2004) 239
131. Karlsson K.E. J Chromatogr. 647 (1993) 31
132. Liu D.Q., Hop C.E.C.A., Beconi M.G., Mao A., and Chiu S.H.L. Rapid Commun. Mass Spectrom. 15 (2001) 1832
133. Kamel A.M., Fouda H.G., Brown P.R., and Munson B. J. Am. Soc. Mass Spectrom. 13 (2002) 543
134. Kamel A.M., Zandi K.S., and Massefski W.W. J. Pharm. Biomed. Anal. 31 (2003) 1211
135. Zhou B., and Zhang Z.Y. Methods 42 (2007) 227
136. Palmer M.E., Tetler L.W., and Wilson I.D. Rapid Commun. Mass Spectrom. 14 (2000) 808
137. Campbell S., Rodgers M.T., Marzluff E.M., and Beauchamp J.L. J. Am. Chem. Soc. 117 (1995) 12840
138. Liu D.Q., and Hop C.E.C.A. J. Pharm. Biomed. Anal. 37 (2005) 1
139. Prakash C., Shaffer C.L., and Nedderman A. Mass Spectrom. Rev. 26 (2007) 340
140. Carlson E.E., and Cravatt B.F. Nat. Methods 4 (2007) 429
141. Carlson E.E., and Cravatt B.F. J. Am. Chem. Soc. 129 (2007) 15780
142. M.C. Nicklaus, W.D. Ihlenfeldt, D. Filimonov, V.V. Poroikov, Abstracts of Papers, 222nd ACS National Meeting, Chicago, IL, United States, August 26-30, 2001, CINF-091.
143. Brecher J.S. Chimia 52 (1998) 658
144. Degtyarenko K., de M.P., Ennis M., Hastings J., Zbinden M., McNaught A., Alcantara R., Darsow M., Guedj M., and Ashburner M. Nucleic Acids Res. 36 (2008) D344-D350
145. Goto S., Okuno Y., Hattori M., Nishioka T., and Kanehisa M. Nucleic Acids Res. 30 (2002) 402
146. Kanehisa M., Goto S., Hattori M., oki-Kinoshita K.F., Itoh M., Kawashima S., Katayama T., Araki M., and Hirakawa M. Nucleic Acids Res. 34 (2006) D354-D357
147. Krummenacker M., Paley S., Mueller L., Yan T., and Karp P.D. Bioinformatics 21 (2005) 3454
148. Caspi R., Foerster H., Fulcher C.A., Kaipa P., Krummenacker M., Latendresse M., Paley S., Rhee S.Y., Shearer A.G., Tissier C., Walk T.C., Zhang P., and Karp P.D. Nucleic Acids Res. 36 (2008) D623-D631
149. Wishart D.S., Tzur D., Knox C., Eisner R., Guo A.C., Young N., Cheng D., Jewell K., Arndt D., Sawhney S., Fung C., Nikolai L., Lewis M., Coutouly M.A., Forsythe I., Tang P., Shrivastava S., Jeroncic K., Stothard P., Amegbey G., Block D., Hau D.D., Wagner J., Miniaci J., Clements M., Gebremedhin M., Guo N., Zhang Y., Duggan G.E., Macinnis G.D., Weljie A.M., Dowlatabadi R., Bamforth F., Clive D., Greiner R., Li L., Marrie T., Sykes B.D., Vogel H.J., and Querengesser L. Nucleic Acids Res. 35 (2007) D521-D526
150. Smith C.A., O'Maille G., Want E.J., Qin C., Trauger S.A., Brandon T.R., Custodio D.E., Abagyan R., and Siuzdak G. Ther. Drug Monit. 27 (2005) 747
151. Shinbo Y., Nakamura Y., Altaf-Ul-Amin M., Asahi H., Kurokawa K., Arita M., Saito K., Ohta D., Shibata D., and Kanaya S. Biotechnol. Agric. For. 57 (2006) 165
152. Moco S., Bino R.J., Vorst O., Verhoeven H.A., de G.J., van Beek T.A., Vervoort J., and de Vos C.H. Plant Physiol. 141 (2006) 1205
153. Kopka J., Schauer N., Krueger S., Birkemeyer C., Usadel B., Bergmuller E., Dormann P., Weckwerth W., Gibon Y., Stitt M., Willmitzer L., Fernie A.R., and Steinhauser D. Bioinformatics 21 (2005) 1635
154. Willoughby R.C., and Browner R.F. Anal. Chem. 56 (1984) 2626
155. Wolff J.C., Hawtin P.N., Monte S., Balogh M., and Jones T. Rapid Commun. Mass Spectrom. 15 (2001) 265
156. Jansen R., Lachatre G., and Marquet P. Clin. Biochem. 38 (2005) 362
157. Arita M. Genome Res. 13 (2003) 2455
158. Arita M. Proc. Natl. Acad. Sci. U.S.A. 101 (2004) 1543
159. Sumner L.W., Amberg A., Barrett D., Beale M.H., Beger R., Daykin C.A., Fan T.W.M., Fiehn O., Goodacre R., Griffin J.L., Hankemeier T., Hardy N., Harnly J., Higashi R., Kopka J., Lane A.N., Lindon J.C., Marriott P., Nicholls A.W., Reily M.D., Thaden J.J., and Viant M.R. Metabolomics 3 (2007) 211
160. Bandu M.L., Grubbs T., Kater M., and Desaire H. Int. J. Mass Spectrom. 251 (2006) 40
161. Tautenhahn R., Bottcher C., and Neumann S. In: Hochreiter S., and Wagner R. (Eds). Bioinformatics Research and Development (2007), Springer, Berlin 371
162. Clish C.B., Davidov E., Oresic M., Plasterer T.N., Lavine G., Londo T., Meys M., Snell P., Stochaj W., Adourian A., Zhang X., Morel N., Neumann E., Verheij E., Vogels J.T., Havekes L.M., Afeyan N., Regnier F., van der Greef J., and Naylor S. OMICS 8 (2004) 3
163. Lange E., Gropl C., Schulz-Trieglaff O., Leinenbach A., Huber C., and Reinert K. Bioinformatics 23 (2007) i273-i281
164. Cloarec O., Dumas M.E., Craig A., Barton R.H., Trygg J., Hudson J., Blancher C., Gauguier D., Lindon J.C., Holmes E., and Nicholson J. Anal. Chem. 77 (2005) 1282
165. Werner E., Croixmarie V., Umbdenstock T., Ezan E., Chaminade P., Tabet J.C., and Junot C. Anal. Chem. 80 (2008) 4918
166. Kendrick E. Anal. Chem. 35 (1963) 2146
167. Wu Z., Rodgers R.P., and Marshall A.G. Anal. Chem. 76 (2004) 2511
168. He H., Conrad C.A., Nilsson C.L., Ji Y., Schaub T.M., Marshall A.G., and Emmett M.R. Anal. Chem. 79 (2007) 8423
169. van Krevelen D.W. Fuel 29 (1950) 269
170. Kim S., Kramer R.W., and Hatcher P.G. Anal. Chem. 75 (2003) 5336
171. Reuter J.H., and Perdue E.M. Mitteilungen des Geologisch-Paläontologischen Instituts der Universität Hamburg 56 (1984) 249
172. Hedges J.I. Adv. Chem. Ser. 225 (1990) 111
173. Sleighter R.L., and Hatcher P.G. J. Mass Spectrom. 42 (2007) 559
174. Lindon J.C., Nicholson J.K., Holmes E., Keun H.C., Craig A., Pearce J.T., Bruce S.J., Hardy N., Sansone S.A., Antti H., Jonsson P., Daykin C., Navarange M., Beger R.D., Verheij E.R., Amberg A., Baunsgaard D., Cantor G.H., Lehman-McKeeman L., Earll M., Wold S., Johansson E., Haselden J.N., Kramer K., Thomas C., Lindberg J., Schuppe-Koistinen I., Wilson I.D., Reily M.D., Robertson D.G., Senn H., Krotzky A., Kochhar S., Powell J., van der Ouderaa F., Plumb R., Schaefer H., and Spraul M. Nat. Biotechnol. 23 (2005) 833
175. Goodacre R., Broadhurst D., Smilde A.K., Kristal B.S., Baker J.D., Beger R., Bessant C., Connor S., Calmani G., Craig A., Ebbels T., Kell D.B., Manetti C., Newton J., Paternostro G., Somorjai R., Sjostrom M., Trygg J., and Wulfert F. Metabolomics 3 (2007) 231
176. Hardy N.W., and Taylor C.F. Metabolomics 3 (2007) 243
177. Shortreed M.R., Lamos S.M., Frey B.L., Phillips M.F., Patel M., Belshaw P.J., and Smith L.M. Anal. Chem. 78 (2006) 6398
178. Guo K., Ji C., and Li L. Anal. Chem. 79 (2007) 8631
179. Lindon J.C., Nicholson J.K., and Wilson I.D. J. Chromatogr. B 748 (2000) 233
180. Wolfender J.L., Ndjoko K., and Hostettmann K. Phytochem. Anal. 12 (2001) 2
181. Yang Z. J. Pharm. Biomed. Anal. 40 (2006) 516
182. Glauser G., Guillarme D., Grata E., Boccard J., Thiocone A., Carrupt P.A., Veuthey J.L., Rudaz S., and Wolfender J.L. J. Chromatogr. A 1180 (2008) 90
183. Olson D.L., Norcross J.A., O'Neil-Johnson M., Molitor P.F., Detlefsen D.J., Wilson A.G., and Peck T.L. Anal. Chem. 76 (2004) 2966
184. Kanu A.B., Dwivedi P., Tam M., Matz L., and Hill Jr. H.H. J. Mass Spectrom. 43 (2008) 1
185. Dwivedi P.P., Wu P., Klopsch S.J., Puzon G.J., Xun L., and Hill H.H. Metabolomics 4 (2008) 63
186. Cappiello A., Famiglini G., Pierini E., Palma P., and Trufelli H. Anal. Chem. 79 (2007) 5364
187. Amirav A., and Granot O. J. Am. Soc. Mass Spectrom. 11 (2000) 587
188. Granot O., and Amirav A. Int. J. Mass Spectrom. 244 (2005) 15
189. Orchard S., Zhu W., Julian Jr. R.K., Hermjakob H., and Apweiler R. Proteomics 3 (2003) 2065
190. Brazma A., Hingamp P., Quackenbush J., Sherlock G., Spellman P., Stoeckert C., Aach J., Ansorge W., Ball C.A., Causton H.C., Gaasterland T., Glenisson P., Holstege F.C., Kim I.F., Markowitz V., Matese J.C., Parkinson H., Robinson A., Sarkans U., Schulze-Kremer S., Stewart J., Taylor R., Vilo J., and Vingron M. Nat. Genet. 29 (2001) 365
191. Bino R.J., Hall R.D., Fiehn O., Kopka J., Saito K., Draper J., Nikolau B.J., Mendes P., Roessner-Tunali U., Beale M.H., Trethewey R.N., Lange B.M., Wurtele E.S., and Sumner L.W. Trends Plant Sci. 9 (2004) 418
192. Jenkins H., Hardy N., Beckmann M., Draper J., Smith A.R., Taylor J., Fiehn O., Goodacre R., Bino R.J., Hall R., Kopka J., Lane G.A., Lange B.M., Liu J.R., Mendes P., Nikolau B.J., Oliver S.G., Paton N.W., Rhee S., Roessner-Tunali U., Saito K., Smedsgaard J., Sumner L.W., Wang T., Walsh S., Wurtele E.S., and Kell D.B. Nat. Biotechnol. 22 (2004) 1601
193. Spasic I., Dunn W.B., Velarde G., Tseng A., Jenkins H., Hardy N., Oliver S.G., and Kell D.B. BMC Bioinform. 7 (2006) 281
194. Dumas M.E., Canlet C., Debrauwer L., Martin P., and Paris A. J. Proteome Res. 4 (2005) 1485
195. Crockford D.J., Holmes E., Lindon J.C., Plumb R.S., Zirah S., Bruce S.J., Rainville P., Stumpf C.L., and Nicholson J.K. Anal. Chem. 78 (2006) 363
196. Duarte N.C., Becker S.A., Jamshidi N., Thiele I., Mo M.L., Vo T.D., Srivas R., and Palsson B.O. Proc. Natl. Acad. Sci. U.S.A. 104 (2007) 1777
197. Romero P., Wagg J., Green M.L., Kaiser D., Krummenacker M., and Karp P.D. Genome Biol. 6 (2005) R2
198. Kanehisa M., and Goto S. Nucleic Acids Res. 28 (2000) 27
199. Fahy E., Sud M., Cotter D., and Subramaniam S. Nucleic Acids Res. 35 (2007) W606-W612
200. Watanabe K., Yasugi E., and Oshima M. Trends Glycosci. Glycotechnol. 12 (2000) 175
201. H. Horai, K. Suwa, M. Arita, Y. Nihei, T. Nishioka, Abstracts of Papers of the 55th ASMS Conference on Mass Spectrometry and Allied Topics, Indianapolis, USA, 2007.
202. Yamamoto O., Someno K., Wasada N., Hiraishi J., Hayamizu K., Tanabe K., Tamura T., and Yanagisawa M. Anal. Sci. 4 (1988) 233