Comparison of algorithms and databases for matching unknown mass spectra

Journal of the American Society for Mass Spectrometry

Volumn 9, Issue 1, 1998, Pages 92-95

  McLafferty, Fred W ^a,c   Zhang, Mei Yi ^a,d   Stauffer, Douglas B ^b   Loh, Stanton Y ^b  

^a Department of Molecular Biology and Genetics   (United States)

^b Palisade Corporation   (United States)

^c Department of Obstetrics Gynecology   (United States)

^d PFIZER INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ARTICLE; COMPARATIVE STUDY; DATA BASE; FACTUAL DATABASE; MASS FRAGMENTOGRAPHY; MASS SPECTROMETRY; REPRODUCIBILITY; STATISTICS;

ALGORITHMS; DATABASE MANAGEMENT SYSTEMS; DATABASES, FACTUAL; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; MASS SPECTROMETRY; REPRODUCIBILITY OF RESULTS;

EID: 0031604180     PISSN: 10440305     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1044-0305(97)00235-3     Document Type: Article

References (21)

1. McLafferty, F. W.; Stauffer, D. B. Registry of Mass Spectral Data, 6th electronic ed.; Wiley: New York, 1994.
2. NIST/EPA/NIH Mass Spectral Data Base, National Institute of Standards and Technology, Gaithersburg, MD, 1992.
3. Stauffer, D. B.; Loh, S. Y. BenchTop Probability Based Matching; Palisade Corporation: Newfield, NY, 1994.
4. McLafferty, F. W.; Loh, S. Y.; Stauffer, D. B. In Computer Enhanced Analytical Spectroscopy; Meuzelaar, H. C. L., Ed.; Plenum; New York, 1990; Vol. II, pp 163-181; McLafferty, F. W.; Stauffer, D. B.; Twiss-Brooks, A. B.; Loh, S. Y. J. Am. Soc. Mass Spectrom. 1991, 2, 432-437.
5. McLafferty, F. W.; Loh, S. Y.; Stauffer, D. B. In Computer Enhanced Analytical Spectroscopy; Meuzelaar, H. C. L., Ed.; Plenum; New York, 1990; Vol. II, pp 163-181; McLafferty, F. W.; Stauffer, D. B.; Twiss-Brooks, A. B.; Loh, S. Y. J. Am. Soc. Mass Spectrom. 1991, 2, 432-437.
6. Warr, W. A. Anal. Chem. 1993, 65, 1045A-1050A, 1087A-1095A; Varmuza, K.; Werther, W. J. Chem. Inf. Comput. Sci. 1996, 36, 323-333.
7. Warr, W. A. Anal. Chem. 1993, 65, 1045A-1050A, 1087A-1095A; Varmuza, K.; Werther, W. J. Chem. Inf. Comput. Sci. 1996, 36, 323-333.
8. Sokolow, S.; Karnofsky, J.; Gustafson, P. The Finnigam Library Search Program: Finnigan Application Report 2; Finnigan Corp.: San Jose, CA, March, 1978; Pellizarri, E. D.; Hartwell, T.; Crowder, J. A. Comparative Evaluation of GC/MS Data Analysis Processing; Project Report PB-85-125664; U. S. Environmental Protection Agency: Research Triangle Park, NC, 1985.
9. Sokolow, S.; Karnofsky, J.; Gustafson, P. The Finnigam Library Search Program: Finnigan Application Report 2; Finnigan Corp.: San Jose, CA, March, 1978; Pellizarri, E. D.; Hartwell, T.; Crowder, J. A. Comparative Evaluation of GC/MS Data Analysis Processing; Project Report PB-85-125664; U. S. Environmental Protection Agency: Research Triangle Park, NC, 1985.
10. (a) McLafferty, F. W.; Hertel, R. H.; Villwock, R. D. Org. Mass Spectrom. 1974, 9, 690-702;
11. (b) Pesyna, C. M.; McLafferty, F. W. In Determination of Organic Structures by Physical Methods; Nachod, F. C.; Zuckerman, J. J.; Randall, E. W., Eds.; Aca-demic: New York, 1976; Vol. 6, pp 91-155;
12. (c) Atwater, B. L., Stauffer, D. B.; McLafferty, F. W.; Peterson, D. W. Anal. Chem. 1985, 57, 899-903;
13. (d) Stauffer, D. B.; McLafferty, R. W.; Ellis, R. D.; Peterson, D. W. Anal. Chem. 1985, 57, 771-773;
14. (e) McLafferty, F. W.; Stauffer, D. B. J. Chem. Inf. Comput. Sci. 1985, 25, 245-252;
15. (f) Mun, I. K.; Bartholomew, D. R.; Stauffer, D. B.; McLafferty, F. W. Anal. Chem. 1981, 53, 1938-1939.
16. Stein, S. E.; Scott, D. R. J. Am. Soc. Mass Spectrom. 1994, 5, 859-866.
17. Stein, S. E.; Ausloos, P.; Lias, S. G. J. Am. Soc. Mass Spectrom. 1991, 2, 441-443.
18. McLafferty, F. W.; Stauffer, D. B.; Loh, S. Y. J. Am. Soc. Mass Spectrom. 1991, 2, 438-440.
19. Salton, G.; McGill, M. J. Introduction to Modern Information Retrieval; McGraw-Hill: New York, 1983; Salton, G. Science 1991, 253, 974-980.
20. Salton, G.; McGill, M. J. Introduction to Modern Information Retrieval; McGraw-Hill: New York, 1983; Salton, G. Science 1991, 253, 974-980.
21. Sparkman, O. D. J. Am. Soc. Mass Spectrom. 1996, 7, 313-318.