메뉴 건너뛰기




Volumn 44, Issue 4, 2009, Pages 494-502

On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. optimization and characterization of the search algorithm

Author keywords

Library; Search algorithm; Tandem mass spectrometry

Indexed keywords

AVERAGE NUMBERS; CUT-OFF; DYNAMIC INTENSITY; FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETERS; FRAGMENT IONS; ION MASS; LIBRARY SEARCH; LINEAR ION TRAP; MASS SPECTRAL; MASS SPECTRAL LIBRARIES; MATCHING ALGORITHM; NEUTRAL LOSS; PREDICTIVE ACCURACY; QUADRUPOLE; RECEIVER OPERATING CHARACTERISTIC CURVES; REFERENCE COMPOUNDS; SEARCH ALGORITHM; SEARCH ALGORITHMS; SEARCH PROCEDURES; STATISTICAL EVALUATION; TANDEM MASS SPECTRA; TANDEM MASS SPECTROMETRIC; TANDEM MASS SPECTROMETRY; TIME OF FLIGHT;

EID: 65649115837     PISSN: 10765174     EISSN: 10969888     Source Type: Journal    
DOI: 10.1002/jms.1525     Document Type: Article
Times cited : (87)

References (21)
  • 1
    • 0035246248 scopus 로고    scopus 로고
    • Mass analysis at the advent of the 21st century
    • S. A. McLuckey, J. M. Wells. Mass analysis at the advent of the 21st century. Chemical Reviews 2001, 101, 571.
    • (2001) Chemical Reviews , vol.101 , pp. 571
    • McLuckey, S.A.1    Wells, J.M.2
  • 2
    • 84987419408 scopus 로고
    • Proposal for a common nomenclature for sequence ions in mass spectra of peptides
    • P. Roepstorff, J. Fohlman. Proposal for a common nomenclature for sequence ions in mass spectra of peptides. Biomedical Mass Spectrometry 1984, 11, 601.
    • (1984) Biomedical Mass Spectrometry , vol.11 , pp. 601
    • Roepstorff, P.1    Fohlman, J.2
  • 5
    • 0000429874 scopus 로고
    • Chemical substructure identification by mass spectral library searching
    • S. E. Stein. Chemical substructure identification by mass spectral library searching. Journal of the American Society for Mass Spectrometry 1995, 6, 644.
    • (1995) Journal of the American Society for Mass Spectrometry , vol.6 , pp. 644
    • Stein, S.E.1
  • 6
    • 0001144659 scopus 로고    scopus 로고
    • Mass spectral classifiers for supporting systematic structure elucidation
    • K. Varmuza, W. Werther. Mass spectral classifiers for supporting systematic structure elucidation. Journal of Chemical Information and Computer Sciences 1996, 36, 323. (Pubitemid 126591186)
    • (1996) Journal of Chemical Information and Computer Sciences , vol.36 , Issue.2 , pp. 323-333
    • Varmuza, K.1    Werther, W.2
  • 7
    • 0038361178 scopus 로고    scopus 로고
    • Approaches towards the automated interpretation and prediction of electrospray tandem mass spectra of non-peptidic combinatorial compounds
    • DOI 10.1002/rcm.987
    • K. Klagkou, F. Pullen, M. Harrison, A. Organ, A. Firth, G. J. Langley. Approaches towards the automated interpretation and prediction of electrospray tandem mass spectra of non-peptidic combinatorial compounds. Rapid Communications in Mass Spectrometry 2003, 17, 1163. (Pubitemid 36648661)
    • (2003) Rapid Communications in Mass Spectrometry , vol.17 , Issue.11 , pp. 1163-1168
    • Klagkou, K.1    Pullen, F.2    Harrison, M.3    Organ, A.4    Firth, A.5    Langley, G.J.6
  • 8
    • 3042521543 scopus 로고    scopus 로고
    • Spectral similarity versus structural similarity: Mass spectrometry
    • DOI 10.1016/j.aca.2004.04.014, PII S0003267004004490
    • W. Demuth, M. Karlovits, K. Varmuza. Spectral similarity versus structural similarity: mass spectrometry. Analytica Chimica Acta 2004, 516, 75. (Pubitemid 38813100)
    • (2004) Analytica Chimica Acta , vol.516 , Issue.1-2 , pp. 75-85
    • Demuth, W.1    Karlovits, M.2    Varmuza, K.3
  • 9
    • 65649147760 scopus 로고
    • Computer identification of mass spectra
    • F. W. McLafferty. Computer identification of mass spectra. Pure and Applied Chemistry 1978, 50, 197.
    • (1978) Pure Applied Chemistry , vol.50 , pp. 197
    • McLafferty, F.W.1
  • 10
    • 0000881748 scopus 로고
    • Optimization testing of mass spectral library search algorithms for compound identification
    • S. E. Stein, D. R. Scott. Optimization and testing of mass spectral library search algorithms for compound identification. Journal of the American Society for Mass Spectrometry 1994, 5, 859.
    • (1994) Journal of the American Society for Mass Spectrometry , vol.5 , pp. 859
    • Stein, S.E.1    Scott, D.R.2
  • 14
    • 0033037890 scopus 로고    scopus 로고
    • Poor reproducibility of in-source collisional atmospheric pressure ionization mass spectra of toxicologically relevant drugs
    • DOI 10.1016/S0021-9673(99)00312-X, PII S002196739900312X
    • M. J. Bogusz, R. D. Maier, K. D. Kruger, K. S. Webb, J. Romeril, M. L. Miller. Poor reproducibility of in-sourcecollisional atmospheric pressure ionization mass spectra of toxicologically relevant drugs. Journal of Chromatography A 1999, 844, 409. (Pubitemid 29257948)
    • (1999) Journal of Chromatography A , vol.844 , Issue.1-2 , pp. 409-418
    • Bogusz, M.J.1    Maier, R.-D.2    Kruger, K.D.3    Webb, K.S.4    Romeril, J.5    Miller, M.L.6
  • 15
    • 3042696846 scopus 로고    scopus 로고
    • Reproducible product-ion tandem mass spectra on various liquid chromatography/mass spectrometry instruments for the development of spectral libraries
    • DOI 10.1002/rcm.1492
    • A. W. Bristow, K. S. Webb, A. T. Lubben, J. Halket. Reproducible product-ion tandem mass spectra on various liquid chromatography/mass spectrometry instruments for the development of spectral libraries. Rapid Communications in Mass Spectrometry 2004, 18, 1447. (Pubitemid 38868744)
    • (2004) Rapid Communications in Mass Spectrometry , vol.18 , Issue.13 , pp. 1447-1454
    • Bristow, A.W.T.1    Webb, K.S.2    Lubben, A.T.3    Halket, J.4
  • 16
    • 2542434283 scopus 로고    scopus 로고
    • Comparison of product ion spectra obtained by liquid chromatography/ triple-quadrupole mass spectrometry for library search
    • M. Gergov, W. Weinmann, J. Meriluoto, J. Uusitalo, I. Ojanperä. Comparison of product ion spectra obtained by liquid chromatography/triple- quadrupole mass spectrometry for library search. Rapid Communications in Mass Spectrometry 2004, 18, 1039. (Pubitemid 38691366)
    • (2004) Rapid Communications in Mass Spectrometry , vol.18 , Issue.10 , pp. 1039-1046
    • Gergov, M.1    Weinmann, W.2    Meriluoto, J.3    Uusitalo, J.4    Ojanpera, I.5
  • 17
    • 14844312890 scopus 로고    scopus 로고
    • LC-MS/MS systematic toxicological analysis: Comparison of MS/MS spectra obtained with different instruments and settings
    • DOI 10.1016/j.clinbiochem.2004.11.003, LC Mass Spectrometry: Recent Development in Clinical Chemistry
    • R. Jansen, G. Lachatre, P. Marquet. LC-MS/MS systematic toxicological analysis: comparison of MS/MS spectra obtained with different instruments and settings. Clinical Biochemistry 2005, 38, 362. (Pubitemid 40342866)
    • (2005) Clinical Biochemistry , vol.38 , Issue.4 , pp. 362-372
    • Jansen, R.1    Lachatre, G.2    Marquet, P.3
  • 18
    • 33747600384 scopus 로고    scopus 로고
    • Combined use of ESI-QqTOF-MS and ESI-QqTOF-MS/MS with mass-spectral library search for qualitative analysis of drugs
    • DOI 10.1007/s00216-006-0634-8
    • M. Pavlic, K. Libiseller, H. Oberacher. Combined use of ESI-QqTOF-MS and ESI-QqTOF-MS/MS with mass-spectral library search for qualitative analysis of drugs. Analytical and Bioanalytical Chemistry 2006, 386, 69. (Pubitemid 44268051)
    • (2006) Analytical and Bioanalytical Chemistry , vol.386 , Issue.1 , pp. 69-82
    • Pavlic, M.1    Libiseller, K.2    Oberacher, H.3
  • 20
    • 4243339774 scopus 로고
    • Performance prediction evaluation of systems for computer identification of spectra
    • F. W. McLafferty. Performance prediction and evaluation of systems for computer identification of spectra. Analytical Chemistry 1977, 49, 1441.
    • (1977) Analytical Chemistry , vol.49 , pp. 1441
    • McLafferty, F.W.1
  • 21
    • 0027457620 scopus 로고
    • Receiver-operating characteristic (ROC) plots: A fundamental evaluation tool in clinical medicine
    • M. H. Zweig, G. Campbell. Receiver-operating characteristic (ROC) plots: a fundamental evaluation tool in clinical medicine. Clinical Chemistry 1993, 39, 561. (Pubitemid 23118304)
    • (1993) Clinical Chemistry , vol.39 , Issue.4 , pp. 561-577
    • Zweig, M.H.1    Campbell, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.