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Volumn 27, Issue 17, 2011, Pages 2376-2383

Elemental composition determination based on MS n

Author keywords

[No Author keywords available]

Indexed keywords

ION;

EID: 80051945323     PISSN: 13674803     EISSN: 14602059     Source Type: Journal    
DOI: 10.1093/bioinformatics/btr409     Document Type: Article
Times cited : (57)

References (27)
  • 1
    • 33646253701 scopus 로고    scopus 로고
    • Reactor ChemAxon Ltd
    • Bode,J.W. (2004) Reactor ChemAxon Ltd. J. Am. Chem. Soc., 126, 15317.
    • (2004) J. Am. Chem. Soc. , vol.126 , pp. 15317
    • Bode, J.W.1
  • 2
    • 5044226336 scopus 로고    scopus 로고
    • Systems biology in drug discovery
    • Butcher,E.C. et al. (2004) Systems biology in drug discovery. Nat. Biotechnol., 22, 1253-1259.
    • (2004) Nat. Biotechnol. , vol.22 , pp. 1253-1259
    • Butcher, E.C.1
  • 3
    • 0033929948 scopus 로고    scopus 로고
    • Rapid identication of saponins in plant extracts by electrospray ionizationmultistage tandemmass spectrometry and liquid chromatography/tandem mass spectrometry
    • Cui,M. et al. (2000) Rapid identication of saponins in plant extracts by electrospray ionizationmultistage tandemmass spectrometry and liquid chromatography/tandem mass spectrometry. Rapid Commun. Mass Spectrom., 14, 1280-1286.
    • (2000) Rapid Commun. Mass Spectrom. , vol.14 , pp. 1280-1286
    • Cui, M.1
  • 4
    • 84986992139 scopus 로고
    • Computer-aided interpretation of mass spectra. STIRS prediction of rings-plus-double-bonds values
    • Dayringer,H.E. and McLafferty,F.W. (1977) Computer-aided interpretation of mass spectra. STIRS prediction of rings-plus-double-bonds values. Org. Mass Spectrom., 12, 53-54.
    • (1977) Org. Mass Spectrom. , vol.12 , pp. 53-54
    • Dayringer, H.E.1    McLafferty, F.W.2
  • 5
    • 33751327221 scopus 로고
    • Calculation of elemental compositions from high resolution mass spectral data
    • Dromey,R.G. and Foyster,G.T. (1980) Calculation of elemental compositions from high resolution mass spectral data. Anal. Chem., 52, 394-398.
    • (1980) Anal. Chem. , vol.52 , pp. 394-398
    • Dromey, R.G.1    Foyster, G.T.2
  • 6
    • 16244402990 scopus 로고    scopus 로고
    • Metabolomics: current analytical platforms and methodologies
    • Dunn,W.B. and Ellis,D.I. (2005) Metabolomics: current analytical platforms and methodologies. Trends Analyt. Chem., 24, 285-294.
    • (2005) Trends Analyt. Chem. , vol.24 , pp. 285-294
    • Dunn, W.B.1    Ellis, D.I.2
  • 7
    • 42449122308 scopus 로고    scopus 로고
    • Current trends and future requirements for the mass spectrometric investigation of microbial, mammalian and plant metabolomes
    • Dunn,W.B. (2008) Current trends and future requirements for the mass spectrometric investigation of microbial, mammalian and plant metabolomes. Phys. Biol., 5, 011001.
    • (2008) Phys. Biol. , vol.5 , pp. 011001
    • Dunn, W.B.1
  • 8
    • 70349775820 scopus 로고    scopus 로고
    • Spectral accuracy of molecular ions in an LTQ/Orbitrap mass spectrometer and implications for elemental composition determination
    • Erve,J.C.L. et al. (2009) Spectral accuracy of molecular ions in an LTQ/Orbitrap mass spectrometer and implications for elemental composition determination. J. Am. Soc. Mass Spectrom., 20, 2058-2069.
    • (2009) J. Am. Soc. Mass Spectrom. , vol.20 , pp. 2058-2069
    • Erve, J.C.L.1
  • 9
    • 33745359822 scopus 로고    scopus 로고
    • The Blue Obelisk-interoperability in chemical informatics
    • Guha,R. et al. (2006) The Blue Obelisk-interoperability in chemical informatics. J. Chem. Informat. Model., 46, 991-998.
    • (2006) J. Chem. Informat. Model. , vol.46 , pp. 991-998
    • Guha, R.1
  • 10
    • 33846799417 scopus 로고    scopus 로고
    • Chemical Informatics Functionality in R
    • Guha,R. (2007) Chemical Informatics Functionality in R. J. Stat. Softw., 18, 1-16.
    • (2007) J. Stat. Softw. , vol.18 , pp. 1-16
    • Guha, R.1
  • 11
    • 33644652820 scopus 로고    scopus 로고
    • Accurate mass ltering of ion chromatograms for metabolite identication using a unit mass resolution liquid chromatography/mass spectrometry system
    • Gu,M. et al. (2006) Accurate mass ltering of ion chromatograms for metabolite identication using a unit mass resolution liquid chromatography/mass spectrometry system. Rapid Commun. Mass Spectrom., 20, 764-770.
    • (2006) Rapid Commun. Mass Spectrom. , vol.20 , pp. 764-770
    • Gu, M.1
  • 12
    • 33244487238 scopus 로고    scopus 로고
    • Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML vocabulary for chemical reactions
    • Holliday,G. et al. (2006) Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML vocabulary for chemical reactions. J. Chem. Inf. Model, 46, 145-157.
    • (2006) J. Chem. Inf. Model , vol.46 , pp. 145-157
    • Holliday, G.1
  • 13
    • 67149114968 scopus 로고    scopus 로고
    • Automated molecular formula determination by tandem mass spectrometry (MS/MS)
    • Jarussophon,S. et al. (2009) Automated molecular formula determination by tandem mass spectrometry (MS/MS). Analyst, 134, 690-700.
    • (2009) Analyst , vol.134 , pp. 690-700
    • Jarussophon, S.1
  • 14
    • 33646043166 scopus 로고    scopus 로고
    • Truly exact mass: elemental composition can be determined uniquely from molecular mass measurement at 0.1mDa accuracy for molecules up to 500Da
    • Kim,S. et al. (2006) Truly exact mass: elemental composition can be determined uniquely from molecular mass measurement at 0.1mDa accuracy for molecules up to 500Da. Science, 251, 260-265.
    • (2006) Science , vol.251 , pp. 260-265
    • Kim, S.1
  • 15
    • 33646754900 scopus 로고    scopus 로고
    • Metabolomic database annotations via query of elemental compositions: mass accuracy is insufcient even at less than 1 ppm
    • Kind,T. and Fiehn,O. (2006) Metabolomic database annotations via query of elemental compositions: mass accuracy is insufcient even at less than 1 ppm. BMC Bioinformatics, 7, 234.
    • (2006) BMC Bioinformatics , vol.7 , pp. 234
    • Kind, T.1    Fiehn, O.2
  • 16
    • 34247163207 scopus 로고    scopus 로고
    • Seven golden rules for heuristic ltering of molecular formulas obtained by accurate mass spectrometry
    • Kind,T. and Fiehn,O. (2007) Seven golden rules for heuristic ltering of molecular formulas obtained by accurate. mass spectrometry. BMC Bioinformatics, 8, 105.
    • (2007) BMC Bioinformatics , vol.8 , pp. 105
    • Kind, T.1    Fiehn, O.2
  • 17
    • 78650737804 scopus 로고    scopus 로고
    • Advances in structure elucidation of small molecules using mass spectrometry
    • Kind,T. and Fiehn,O. (2010)Advances in structure elucidation of small molecules using mass spectrometry. Bioanal. Rev., 2, 23-60.
    • (2010) Bioanal. Rev. , vol.2 , pp. 23-60
    • Kind, T.1    Fiehn, O.2
  • 18
    • 33846964551 scopus 로고    scopus 로고
    • Molecular formula analysis by an MS/MS/MS technique to expedite dereplication of natural products
    • Konishi,Y. et al. (2007) Molecular formula analysis by an MS/MS/MS technique to expedite dereplication of natural products. Anal. Chem., 79, 1187-1197.
    • (2007) Anal. Chem. , vol.79 , pp. 1187-1197
    • Konishi, Y.1
  • 19
    • 0035013293 scopus 로고    scopus 로고
    • Development of chemical markup language (CML) as a system for handling complex chemical content
    • Murray-Rust,P. et al. (2001) Development of chemical markup language (CML) as a system for handling complex chemical content. N. J. Chem., 25, 618-634.
    • (2001) N. J. Chem. , vol.25 , pp. 618-634
    • Murray-Rust, P.1
  • 20
    • 8344284323 scopus 로고    scopus 로고
    • A common open representation of mass spectrometry data and its application to proteomics research
    • Pedrioli,P.G.A. et al. (2004) A common open representation of mass spectrometry data and its application to proteomics research. Nat. Biotechnol., 22, 1459-1466.
    • (2004) Nat. Biotechnol. , vol.22 , pp. 1459-1466
    • Pedrioli, P.G.A.1
  • 21
    • 79951640091 scopus 로고    scopus 로고
    • Computing fragmentation trees from tandem mass spectrometry data
    • Rasche,F. et al. (2011) Computing fragmentation trees from tandem mass spectrometry data. Anal. Chem., 83, 1243-1251.
    • (2011) Anal. Chem. , vol.83 , pp. 1243-1251
    • Rasche, F.1
  • 22
    • 5844235474 scopus 로고
    • Partitions and their representative graphs
    • Senior,J.K. (1951) Partitions and their representative graphs. Am. J. Math., 73, 663.
    • (1951) Am. J. Math. , vol.73 , pp. 663
    • Senior, J.K.1
  • 23
    • 32444446805 scopus 로고    scopus 로고
    • XCMS: processing mass spectrometry data for metabolite proling using nonlinear peak alignment,matching, and identication
    • Smith,C.A. et al. (2006) XCMS: processing mass spectrometry data for metabolite proling using nonlinear peak alignment,matching, and identication. Anal. Chem., 78, 779-787.
    • (2006) Anal. Chem. , vol.78 , pp. 779-787
    • Smith, C.A.1
  • 24
    • 0037361967 scopus 로고    scopus 로고
    • The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics
    • Steinbeck,C. et al. (2003) The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics. J. Chem. Informat. Comput. Sci., 43, 493-500.
    • (2003) J. Chem. Informat. Comput. Sci. , vol.43 , pp. 493-500
    • Steinbeck, C.1
  • 25
    • 33750990835 scopus 로고    scopus 로고
    • Isotope pattern evaluation for the reduction of elemental compositions assigned to high-resolution mass spectral data from electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry
    • Stoll,N. et al. (2006) Isotope pattern evaluation for the reduction of elemental compositions assigned to high-resolution mass spectral data from electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry. J. Am. Soc. Mass Spectrom., 17, 1692-1699.
    • (2006) J. Am. Soc. Mass Spectrom. , vol.17 , pp. 1692-1699
    • Stoll, N.1
  • 26
    • 77953998895 scopus 로고    scopus 로고
    • Differentiation of structural isomers in a target drug database by LC/Q-TOFMS using fragmentation prediction
    • Tyrkkö,E. et al. (2010) Differentiation of structural isomers in a target drug database by LC/Q-TOFMS using fragmentation prediction. Drug Test. Anal., 2, 259-270.
    • (2010) Drug Test. Anal. , vol.2 , pp. 259-270
    • Tyrkkö, E.1
  • 27
    • 27644514072 scopus 로고    scopus 로고
    • Predicting molecular formulas of fragment ions with isotope patterns in tandem mass spectra
    • Zhang,J. et al. (2005) Predicting molecular formulas of fragment ions with isotope patterns in tandem mass spectra. IEEE/ACM Trans. Comput. Biol. Bioinformatics, 2, 217-230.
    • (2005) IEEE/ACM Trans. Comput. Biol. Bioinformatics , vol.2 , pp. 217-230
    • Zhang, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.