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Volumn 708, Issue , 2011, Pages 277-298

Processing and Analysis of GC/LC-MS-Based Metabolomics Data

Author keywords

alignment; GC MS; LC MS; metabolite; metabolomics; multivariate; PCA; PLS DA

Indexed keywords

ANIMAL; ARTICLE; COMPUTER PROGRAM; DISCRIMINANT ANALYSIS; FACTUAL DATABASE; GAS CHROMATOGRAPHY; HUMAN; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; METABOLOMICS; METHODOLOGY; MULTIVARIATE ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; REGRESSION ANALYSIS; REPRODUCIBILITY; STATISTICS;

EID: 79953740072     PISSN: 10643745     EISSN: 19406029     Source Type: Book Series    
DOI: 10.1007/978-1-61737-985-7_17     Document Type: Chapter
Times cited : (83)

References (29)
  • 1
    • 0036463681 scopus 로고    scopus 로고
    • Metabonomics: A platform for studying drug toxicity and gene function
    • Nicholson, J. K., Connelly, J., Lindon, J. C., Holmes, E. (2002) Metabonomics: a platform for studying drug toxicity and gene function. Nat Rev Drug Discov 1, 153–161.
    • (2002) Nat Rev Drug Discov , vol.1 , pp. 153-161
    • Nicholson, J.K.1    Connelly, J.2    Lindon, J.C.3    Holmes, E.4
  • 2
    • 0036007687 scopus 로고    scopus 로고
    • Metabolomics – the link between genotypes and phenotypes
    • Fiehn, O. (2002) Metabolomics – the link between genotypes and phenotypes. Plant Mol Biol 48, 155–171.
    • (2002) Plant Mol Biol , vol.48 , pp. 155-171
    • Fiehn, O.1
  • 3
    • 54549091125 scopus 로고    scopus 로고
    • Systems biology: Metabonomics
    • Nicholson, J. K., Lindon, J. C. (2008) Systems biology: metabonomics. Nature 455, 1054–1056.
    • (2008) Nature , vol.455 , pp. 1054-1056
    • Nicholson, J.K.1    Lindon, J.C.2
  • 5
    • 32444446805 scopus 로고    scopus 로고
    • XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification
    • Smith, C. A., Want, E. J., 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.
    • (2006) Anal Chem , vol.78 , pp. 779-787
    • Smith, C.A.1    Want, E.J.2    O’Maille, G.3    Abagyan, R.4    Siuzdak, G.5
  • 7
    • 4644240926 scopus 로고    scopus 로고
    • Metabolite fingerprinting: Detecting biological features by independent component analysis
    • Scholz, M., Gatzek, S., Sterling, A., Fiehn, O., Selbig, J. (2004) Metabolite fingerprinting: detecting biological features by independent component analysis. Bioinformatics 20, 2447–2454.
    • (2004) Bioinformatics , vol.20 , pp. 2447-2454
    • Scholz, M.1    Gatzek, S.2    Sterling, A.3    Fiehn, O.4    Selbig, J.5
  • 8
    • 10744233766 scopus 로고    scopus 로고
    • Quantification of proteins and metabolites by mass spectrometry without isotopic labeling or spiked standards
    • Wang, W., Zhou, H., Lin, H., Roy, S., Shaler, T. A., Hill, L. R., Norton, S., Kumar, P., Anderle, M., Becker, C. H. (2003) Quantification of proteins and metabolites by mass spectrometry without isotopic labeling or spiked standards. Anal Chem 75, 4818– 4826.
    • (2003) Anal Chem , vol.75 , pp. 4818-4826
    • Wang, W.1    Zhou, H.2    Lin, H.3    Roy, S.4    Shaler, T.A.5    Hill, L.R.6    Norton, S.7    Kumar, P.8    Anderle, M.9    Becker, C.H.10
  • 10
    • 0034800371 scopus 로고    scopus 로고
    • Principal components analysis for clustering gene expression data
    • Yeung, K. Y., Ruzzo, W. L. (2001) Principal components analysis for clustering gene expression data. Bioinformatics 17, 763–774.
    • (2001) Bioinformatics , vol.17 , pp. 763-774
    • Yeung, K.Y.1    Ruzzo, W.L.2
  • 12
    • 46849108902 scopus 로고    scopus 로고
    • Dimensionality reduction and visualization in principal components analysis
    • Ivosev, G., Burton, L., Bonner, R. (2008) Dimensionality reduction and visualization in principal components analysis. Anal Chem 80, 4933–4944.
    • (2008) Anal Chem , vol.80 , pp. 4933-4944
    • Ivosev, G.1    Burton, L.2    Bonner, R.3
  • 13
    • 0037350844 scopus 로고    scopus 로고
    • Partial least squares for discrimination
    • Barker, M., Rayens, W. (2003) Partial least squares for discrimination. J Chemom 17, 166–173.
    • (2003) J Chemom , vol.17 , pp. 166-173
    • Barker, M.1    Rayens, W.2
  • 14
    • 34249335649 scopus 로고    scopus 로고
    • OPLS discriminant analysis: Combining the strengths of PLS-DA and SIMCA classification
    • Bylesjo, M., Rantalainen, M., Cloarec, O., Nicholson, J. K. (2006) OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification. J Chemom 20, 341–351.
    • (2006) J Chemom , vol.20 , pp. 341-351
    • Bylesjo, M.1    Rantalainen, M.2    Cloarec, O.3    Nicholson, J.K.4
  • 15
    • 0036083139 scopus 로고    scopus 로고
    • Orthogonal projections to latent structures (O-PLS)
    • Trygg, J., Wold, S. (2002) Orthogonal projections to latent structures (O-PLS). J Chemom 16, 119–128.
    • (2002) J Chemom , vol.16 , pp. 119-128
    • Trygg, J.1    Wold, S.2
  • 16
    • 0036085968 scopus 로고    scopus 로고
    • O2-PLS for qualitative and quantitative analysis in multivariate calibration
    • Trygg, J. (2002) O2-PLS for qualitative and quantitative analysis in multivariate calibration. J Chemom 16, 283–293.
    • (2002) J Chemom , vol.16 , pp. 283-293
    • Trygg, J.1
  • 18
    • 63649128102 scopus 로고    scopus 로고
    • O‘Hagan, S., Knowles, J. D., Halsall, A., HUSERMET Consortium, Wilson, I. D., Kell, D. B. (2009) Development of a robust and repeatable UPLC-MS method for the long-term metabolomics study of human serum
    • Zelena, E., Dunn, W. B., Broadhurst, D., Francis-McIntyre, S., Carroll, K. M., Begley, P., O‘Hagan, S., Knowles, J. D., Halsall, A., HUSERMET Consortium, Wilson, I. D., Kell, D. B. (2009) Development of a robust and repeatable UPLC-MS method for the long-term metabolomics study of human serum. Anal Chem 81, 1357–1364.
    • Anal Chem , vol.81 , pp. 1357-1364
    • Zelena, E.1    Dunn, W.B.2    Broadhurst, D.3    Francis-McIntyre, S.4    Carroll, K.M.5    Begley, P.6
  • 19
    • 48949103703 scopus 로고    scopus 로고
    • Evaluation of the repeatability of ultra-performance liquid chromatography–TOF-MS for global metabolic profiling of human urine samples
    • Gika, H. G., Macpherson, E., Theodoridis, G. A., Wilson, I. D. (2008) Evaluation of the repeatability of ultra-performance liquid chromatography–TOF-MS for global metabolic profiling of human urine samples. J Chromatogr B Anal Technol Biomed Life Sci 871, 299–305.
    • (2008) J Chromatogr B Anal Technol Biomed Life Sci , vol.871 , pp. 299-305
    • Gika, H.G.1    Macpherson, E.2    Theodoridis, G.A.3    Wilson, I.D.4
  • 20
    • 33751417111 scopus 로고    scopus 로고
    • Consequences of sample sizes, variable selection, model validation and optimisation for predicting classification ability from analytical data
    • Brereton, R. G. (2006) Consequences of sample sizes, variable selection, model validation and optimisation for predicting classification ability from analytical data. Trends Anal Chem 25, 1103–1111.
    • (2006) Trends Anal Chem , vol.25 , pp. 1103-1111
    • Brereton, R.G.1
  • 21
    • 33750724182 scopus 로고    scopus 로고
    • Reducing over-optimism in variable selection by cross-model validation
    • Anderssen, E., Dyrstad, K., Westad, F., Martens, H. (2006) Reducing over-optimism in variable selection by cross-model validation. Chemom Intell Lab Syst 84, 69–74.
    • (2006) Chemom Intell Lab Syst , vol.84 , pp. 69-74
    • Anderssen, E.1    Dyrstad, K.2    Westad, F.3    Martens, H.4
  • 22
    • 14844326483 scopus 로고    scopus 로고
    • Computational prediction of human metabolic pathways from the complete human genome
    • Romero, P., Wagg, J., Green, M. L., Kaiser, D., Krummenacker, M., Karp, P. D. (2005) Computational prediction of human metabolic pathways from the complete human genome. Genome Biol 6, R2.
    • (2005) Genome Biol , vol.6 , pp. R2
    • Romero, P.1    Wagg, J.2    Green, M.L.3    Kaiser, D.4    Krummenacker, M.5    Karp, P.D.6
  • 28
    • 27344453869 scopus 로고    scopus 로고
    • Metabolomics: From pattern recognition to biological interpretation
    • Weckwerth, W., Morgenthal, K. (2005) Metabolomics: from pattern recognition to biological interpretation. Drug Discov Today 10, 1551–1558.
    • (2005) Drug Discov Today , vol.10 , pp. 1551-1558
    • Weckwerth, W.1    Morgenthal, K.2


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