메뉴 건너뛰기




Volumn 5, Issue 10, 2013, Pages 1195-1210

Expedient data mining for nontargeted high-resolution LC-MS profiles of biological samples

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM; CARBON; CHLORINE; HIPPURIC ACID; HYDROGEN; IRON; NITROGEN; OXYGEN; POTASSIUM; SULFUR;

EID: 84878510952     PISSN: 17576180     EISSN: 17576199     Source Type: Journal    
DOI: 10.4155/bio.13.86     Document Type: Article
Times cited : (11)

References (27)
  • 2
    • 84870936588 scopus 로고    scopus 로고
    • The current status of metabolomics in drug discovery and development
    • Robertson DG, Reily MD. The current status of metabolomics in drug discovery and development. Drug Dev. Res. 73(8), 535-546 (2012).
    • (2012) Drug Dev. Res. , vol.73 , Issue.8 , pp. 535-546
    • Robertson, D.G.1    Reily, M.D.2
  • 3
    • 78650769334 scopus 로고    scopus 로고
    • HILIC-UPLC-MS for exploratory urinary metabolic profling in toxicological studies
    • Spagou K Wilson ID, Masson P et al. HILIC-UPLC-MS for exploratory urinary metabolic profling in toxicological studies. Anal. Chem. 83(1), 382-390 (2011).
    • (2011) Anal. Chem. , vol.83 , Issue.1 , pp. 382-390
    • Spagou Wilson K, I.D.1    Masson, P.2
  • 4
    • 79953646618 scopus 로고    scopus 로고
    • Metabolomics and its practical value in pharmaceutical industry
    • Wei R. Metabolomics and its practical value in pharmaceutical industry. Curr. Drug Metab. 12(4), 345-358 (2011).
    • (2011) Curr. Drug Metab. , vol.12 , Issue.4 , pp. 345-358
    • Wei, R.1
  • 5
    • 20544466649 scopus 로고    scopus 로고
    • Metabonomics in toxicology: A review
    • Robertson DG. Metabonomics in toxicology: a review. Toxicol. Sci. 85(2), 809-822 (2005).
    • (2005) Toxicol. Sci. , vol.85 , Issue.2 , pp. 809-822
    • Robertson, D.G.1
  • 6
    • 58449117420 scopus 로고    scopus 로고
    • Metabolomics in pharmaceutical research and development: Metabolites, mechanisms and pathways
    • Xu EY, Schaefer WH, Xu Q. Metabolomics in pharmaceutical research and development: Metabolites, mechanisms and pathways. Curr. Opin. Drug Discov. Dev. 12(1), 40-52 (2009).
    • (2009) Curr. Opin. Drug Discov. Dev. , vol.12 , Issue.1 , pp. 40-52
    • Xu, E.Y.1    Schaefer, W.H.2    Xu, Q.3
  • 7
    • 83355172941 scopus 로고    scopus 로고
    • Understanding and classifying metabolite space and metabolite-likeness
    • Peironcely JE, Reijmers T et al. Understanding and classifying metabolite space and metabolite-likeness. PLoS ONE 6(12), e28966 (2011).
    • (2011) PLoS ONE , vol.6 , Issue.12
    • Peironcely, J.E.1    Reijmers, T.2
  • 8
    • 84858377544 scopus 로고    scopus 로고
    • Automated and unbiased analysis of LC-MS metabolomic data
    • Hnatyshyn S, Shipkova P. Automated and unbiased analysis of LC-MS metabolomic data. Bioanalysis 4(5), 541-554 (2012).
    • (2012) Bioanalysis , vol.4 , Issue.5 , pp. 541-554
    • Hnatyshyn, S.1    Shipkova, P.2
  • 10
    • 33646894485 scopus 로고
    • A general approach to calculating isotopic distributions for mass spectrometry
    • Yergey JA. A general approach to calculating isotopic distributions for mass spectrometry. Int. J. Mass Spec. Ion Phys. 52(2-3), 337-349 (1983).
    • (1983) Int. J. Mass Spec. Ion Phys. , vol.52 , Issue.2-3 , pp. 337-349
    • Yergey, J.A.1
  • 11
    • 0029358759 scopus 로고
    • Rapid calculation of isotope distributions
    • Rockwood AL, Van Orden SL, Smith RD. Rapid calculation of isotope distributions. Anal. Chem. 67(15), 2699-2704 (1995).
    • (1995) Anal. Chem. , vol.67 , Issue.15 , pp. 2699-2704
    • Rockwood, A.L.1    Van Orden, S.L.2    Smith, R.D.3
  • 12
    • 0025830123 scopus 로고
    • Calculation of isotope distributions in mass spectrometry. A trivial solution for a non-trivial problem
    • Kubinyi H. Calculation of isotope distributions in mass spectrometry. A trivial solution for a non-trivial problem. Analytica Chimica Acta 247(1), 107-119 (1991).
    • (1991) Analytica Chimica Acta , vol.247 , Issue.1 , pp. 107-119
    • Kubinyi, H.1
  • 14
    • 84878495130 scopus 로고    scopus 로고
    • Automated mass spectra interpretation approach to data reduction for LC-MS metabolomics analysis
    • Denver, CO, USA, 9-13 June 2008
    • Hnatyshyn S, Shipkova P, Luk E, Warrack B, Reily M. Automated mass spectra interpretation approach to data reduction for LC-MS metabolomics analysis. Presented at: 56th ASMS Conference on Mass Spectrometry. Denver, CO, USA, 9-13 June 2008.
    • 56th ASMS Conference on Mass Spectrometry
    • Hnatyshyn, S.1    Shipkova, P.2    Luk, E.3    Warrack, B.4    Reily, M.5
  • 15
    • 0033472950 scopus 로고    scopus 로고
    • Automated data massaging, interpretation, and e-mailing modules for high throughput open access mass spectrometry
    • Tong H, Bell D, Tabei K, Siegel MM et al. Automated data massaging, interpretation, and e-mailing modules for high throughput open access mass spectrometry. J. Am. Soc. Mass Spectrom. 10(11), 1174-1187 (1999).
    • (1999) J. Am. Soc. Mass Spectrom. , vol.10 , Issue.11 , pp. 1174-1187
    • Tong, H.1    Bell, D.2    Tabei, K.3    Siegel, M.M.4
  • 16
    • 34247163207 scopus 로고    scopus 로고
    • Seven golden rules for heuristic fltering of molecular formulas obtained by accurate mass spectrometry
    • Kind T, Fiehn O. Seven golden rules for heuristic fltering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinformatics 8, 105 (2007).
    • (2007) BMC Bioinformatics , vol.8 , pp. 105
    • Kind, T.1    Fiehn, O.2
  • 19
    • 0036104772 scopus 로고    scopus 로고
    • Comparing similar spectra: From similarity index to spectral contrast angle
    • Wan KX, Vidavsky I, Gross ML. Comparing similar spectra: from similarity index to spectral contrast angle. J. Am. Soc. Mass Spectrom. 13(1), 85-88 (2002).
    • (2002) J. Am. Soc. Mass Spectrom. , vol.13 , Issue.1 , pp. 85-88
    • Wan, K.X.1    Vidavsky, I.2    Gross, M.L.3
  • 20
    • 1442333528 scopus 로고    scopus 로고
    • On the normalization of a mass spectrum for comparison of two spectra
    • Alfassi ZB. On the normalization of a mass spectrum for comparison of two spectra. J. Am. Soc. Mass Spectrom. 15(3), 385-387 (2004).
    • (2004) J. Am. Soc. Mass Spectrom. , vol.15 , Issue.3 , pp. 385-387
    • Alfassi, Z.B.1
  • 21
    • 84861147702 scopus 로고    scopus 로고
    • Highly accurate chemical formula prediction tool utilizing high-resolution mass spectra, MS/MS fragmentation, heuristic rules, and isotope pattern matching
    • Pluskal T, Uehara T, Yanagida M. Highly accurate chemical formula prediction tool utilizing high-resolution mass spectra, MS/MS fragmentation, heuristic rules, and isotope pattern matching. Anal. Chem. 84(10), 4396-4403 (2012).
    • (2012) Anal. Chem. , vol.84 , Issue.10 , pp. 4396-4403
    • Pluskal, T.1    Uehara, T.2    Yanagida, M.3
  • 22
    • 80052090795 scopus 로고    scopus 로고
    • Easy and accurate high-performance liquid chromatography retention prediction with different gradients, fow rates, and instruments by back-calculation of gradient and fow rate profles
    • Boswell PG. Easy and accurate high-performance liquid chromatography retention prediction with different gradients, fow rates, and instruments by back-calculation of gradient and fow rate profles. J. Chromatogr. A 1218 (38), 6742-6749 (2011).
    • (2011) J. Chromatogr. A , vol.1218 , Issue.38 , pp. 6742-6749
    • Boswell, P.G.1
  • 23
    • 33749074122 scopus 로고    scopus 로고
    • A pragmatic and readily implemented quality control strategy for HPLC-MS and GC-MS-based metabonomic analysis
    • Sangster T, Major H, Plumb R, Wilson AJ, Wilson ID. A pragmatic and readily implemented quality control strategy for HPLC-MS and GC-MS-based metabonomic analysis. Analyst 131(10), 1075-1078 (2006).
    • (2006) Analyst , vol.131 , Issue.10 , pp. 1075-1078
    • Sangster, T.1    Major, H.2    Plumb, R.3    Wilson, A.J.4    Wilson, I.D.5
  • 25
    • 65049087175 scopus 로고    scopus 로고
    • The correspondence problem for metabonomics datasets
    • Aberg KM, Alm E, Torgrip RJO. The correspondence problem for metabonomics datasets. Anal. Bioanal. Chem. 394(1), 151-162 (2009).
    • (2009) Anal. Bioanal. Chem. , vol.394 , Issue.1 , pp. 151-162
    • Aberg, K.M.1    Alm, E.2    Rjo, T.3
  • 26
    • 58949091234 scopus 로고    scopus 로고
    • Normalization strategies for metabonomic analysis of urine samples
    • Warrack, B.M. et al. Normalization strategies for metabonomic analysis of urine samples. J. Chromatogr. B. Anal. Tech. Biomed. Life Sci. 877(5-6), 547-552 (2009).
    • (2009) J. Chromatogr. B. Anal. Tech. Biomed. Life Sci. , vol.877 , Issue.5-6 , pp. 547-552
    • Warrack, B.M.1
  • 27
    • 79954478592 scopus 로고    scopus 로고
    • Metabolomic and transcriptomic changes induced by overnight (16 h) fasting in male and female Sprague-Dawley rats
    • Robertson DG, Ruepp S, Stryker S et al. Metabolomic and transcriptomic changes induced by overnight (16 h) fasting in male and female Sprague-Dawley rats. Chem. Res. Toxicol. 24(4), 481-487 (2011).
    • (2011) Chem. Res. Toxicol. , vol.24 , Issue.4 , pp. 481-487
    • Robertson, D.G.1    Ruepp, S.2    Stryker, S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.