Salt bridge chemistry applied to gas-phase peptide sequencing: Selective fragmentation of sodiated gas-phase peptide ions adjacent to aspartic acid residues

Journal of the American Chemical Society

Volumn 120, Issue 13, 1998, Pages 3188-3195

  Lee, Sang Won ^a   Kim, Hyun Sik ^a   Beauchamp, J L ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASPARTIC ACID; PEPTIDE; SODIUM CHLORIDE;

AMINO ACID SEQUENCE; ARTICLE; CHEMICAL BINDING; CYCLOTRON; DISSOCIATION; FOURIER TRANSFORMATION; GAS; MASS SPECTROMETRY; REACTION ANALYSIS;

EID: 0344932188     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja973467r     Document Type: Article

References (52)

1. Edman, P.; Begg, G. Eur. J. Biochem. 1967, 80, 1.
2. Barber, M.; Boddoli, R. D.; Sedgwick, R. D.; Tyler, A. N. J. Chem. Soc., Chem. Commun. 1981, 325.
3. (a) Karas, M.; Bachmann, D.; Bahr, U.; Hillenkamp, F. Int. J. Mass Spectrom. Ion Proc. 1987, 78, 53.
4. (b) Hillenkamp, F.; Karas, M.; Beavis, R. C.; Chait, B. T. Anal. Chem. 1991, 63, 1193A.
5. Fenn, J. B.; Mann, M.; Meng, C. K.; Wong, S. F.; Whitehouse, C. M. Science 1989, 246, 64.
6. Chait, B. T.; Wang, R.; Beavis, R. C.; Kent, S. B. H. Science 1993, 262, 89.
7. (a) Patterson, D. H.; Tarr, G. E.; Regnier, F. E.; Martin, S. A. Anal. Chem. 1995, 67, 3971.
8. (b) Thiede, B.; Wittmannliebold, B.; Bienert, M.; Krause, E. FEBS Lett. 1995, 357, 65.
9. Wilm, M.; Shevchenco, A.; Houthaeve, T.; Breit, S.; Schweigerer, L.; Fotsis, T.; Mann, M. Nature 1996, 379(6564), 466.
10. Wilm, M.; Mann, M. Anal. Chem. 1996, 68, 1.
11. (a) McLuckey, S. A. J. Am. Soc. Mass Spetrom. 1992, 3, 599.
12. (b) Marzluff, E. M.; Beauchamp, J. L. In Large Ions: Their Vaporization, Detection and Structural Analysis; Baer, T., Powis, I., Ng, C. Y., Eds.; Wiley Series on Ion Chemistry and Physics: New York, 1996; pp 115.
13. (a) Mabud, MD. A.; Dekrey, M. J.; Cooks, R. G. Int. J. Mass Spectrom. Ion Processes 1985, 67, 285.
14. (b) Ijames, C. F.; Wilkins, C. L. Anal. Chem. 1990, 62, 1295.
15. Little, D. P.; Speir, J. P.; Senko, M. W.; O'Connor, P. B.; McLafferty, F. W. Anal. Chem. 1994, 66, 2809.
16. Price, W. D.; Schnier, P. D.; Williams, E. R. Anal. Chem. 1996, 68, 859.
17. Solouki, T.; Pasa-Tolic, L.; Jackson, G. S.; Guan, S.; Marshall, A. G. Anal. Chem. 1996, 68, 3718.
18. Qin, J.; Chait, B. T. J. Am. Chem. Soc. 1995, 117, 5411.
19. Marshall, A. G.; Wang, T.-C. L.; Ricca, T. L. J. Am. Chem. Soc. 1985, 107, 7893.
20. Gauthier, J. W.; Trautman, T. R.; Jacobson, D. B. Anal. Chim. Acta 1991, 246, 211.
21. Marshall, A. G.; Senko, M. W.; Li, W.; Li, M.; Dillon, S.; Guan, S.; Logan, T. M. J. Am. Chem. Soc. 1997, 119, 433.
22. Marzluff, E. M.; Lee, S.-W.; Beauchamp, J. L. J. Am. Chem. Soc. Submitted for publication.
23. Loo, J. A.; Edmonds, C. G.; Smith, R. D. Anal. Chem. 1993, 65, 425.
24. Senko, M. W.; Beu, S. C.; McLafferty, F. W. Anal. Chem. 1994, 66, 415.
25. Yu, W.; Vath, J. E.; Huberty, M. C.; Martin, S. A. Anal. Chem. 1993, 65, 3015.
26. Hu, P.; Loo, J. A. J. Am. Chem. Soc. 1995, 117, 11314.
27. In this paper, we are following the nomenclature introduced by Roepstorff and Fohlman: Roepstorff, P.; Fohlman, J. Biomed. Mass Spectrom. 1984, 11, 601.
28. Rodgers, M. T.; Campbell, S.; Marzluff, E. M.; Beauchamp, J. L. Int. J. Mass Spectrom. Ion Proc. 1995, 143, 1.
29. Beavis, R. C.; Chait, B. T. Chem. Phys. Lett. 1991, 181, 479.
30. Marzuluff, E. M.; Campbell, S.; Rodgers, M. T.; Beauchamp, J. L. J. Am. Chem. Soc. 1994, 116, 7787.
31. Koster, C.; Castoro, J. A.; Wilkins, C. L. J. Am. Chem. Soc. 1992, 114, 7572.
32. 2 3.0, Molecular Simulations Inc., Burlington, MA.
33. Since the UFF has been developed in conjunction with the charge equilibration scheme (Qeq), we used Qeq charges for this work, (a) Rappe, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. N. J. Am. Chem. Soc. 1992, 114, 10024. (b) Rappe, A. K.; Goddard, W. A. J. Phys. Chem. 1991, 95, 3358.
34. Since the UFF has been developed in conjunction with the charge equilibration scheme (Qeq), we used Qeq charges for this work, (a) Rappe, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. N. J. Am. Chem. Soc. 1992, 114, 10024. (b) Rappe, A. K.; Goddard, W. A. J. Phys. Chem. 1991, 95, 3358.
35. LAV3P* is the 6-31G* basis set that includes effective core potentials (ECPs) to atoms of Na-La and Hf-Bi. (a) Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270. (b) Wadt, W. R.; Hay, P. J. J. Chem. Phys. 1985, 82, 284.
36. LAV3P* is the 6-31G* basis set that includes effective core potentials (ECPs) to atoms of Na-La and Hf-Bi. (a) Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270. (b) Wadt, W. R.; Hay, P. J. J. Chem. Phys. 1985, 82, 284.
37. Ringnalda, M. N.; Langlois, J.-M.; Murphy, R. B.; Greeley, B. H.; Cortis, C.; Russo, T. V.; Marten, B.; Donnelly, R. E.; Pollard, W. T.; Cao, Y.; Muller, R. P.; Mainz, D. T.; Wright, J. R.; Miller, G. H.; Goddard, W. A.; Friesner, R. A. PS-GVB v2.3; Schrodinger, Inc., 1996.
38. Lin, T.; Glish, G. L. Proceedings of the 38th ASMS Conference on Mass Spectrometry and Allied Topics; Atlanta, GA, 1995; Elsevier: New York, 1995; p 655.
39. Lin, T.; Glish, G. L. Presented at the 45th ASMS conference, Palm Springs, CA, June 1-5, 1997; Abstract No. ThOB 2:10.
40. (a) Rockwood, A. L.; Busman, M.; Smith, R. D. Int. J. Mass Spectrom. Ion Proc. 1991, 111, 103.
41. (b) Vekey, K.; Gomory, A. Rapid Commun. Mass Spectrom. 1996, 10, 1485.
42. heavy, resulting in biased trapping for the light product.
43. Two mechanisms for the sequential cleavage of sodiated peptide are presented in the following papers: (a) Renner, D.; Speteller, G. Biomed. Environ. Mass Spectrom. 1988, 15, 75. (b) Tang, X.; Ens, W.; Standing, K. G.; Westmore, J. B. Anal. Chem. 1988, 60, 1791.
44. Two mechanisms for the sequential cleavage of sodiated peptide are presented in the following papers: (a) Renner, D.; Speteller, G. Biomed. Environ. Mass Spectrom. 1988, 15, 75. (b) Tang, X.; Ens, W.; Standing, K. G.; Westmore, J. B. Anal. Chem. 1988, 60, 1791.
45. Lee, S.-W.; Beauchamp, J. L. In preparation.
46. Dongre, A. R.; Jones, J. L.; Somogyi, A.; Wysocki, V. H. J. Am. Chem. Soc. 1996, 118, 8365.
47. (a) Campbell, S.; Rodgers, M. T.; Marzluff, E. M.; Beauchamp, J. L. J. Am. Chem. Soc. 1994, 116, 9765.
48. (b) Campbell, S.; Rodgers, M. T.; Marzluff, E. M.; Beauchamp, J. L. J. Am. Chem. Soc. 1995, 117, 12840.
49. (c) Lee, S.-W.; Lee, H.-N.; Kim, H. S.; Beauchamp, J. Am. Chem. Soc. Submitted for publication.
50. Schnier, P. D.; Price, W. D.; Jockusch, R. A.; Williams, E. R. J. Am. Chem. Soc. 1996, 118, 7178.
51. 9b
52. Gross, D. S.; Rodriguesz-Cruz, S. E.; Bock, S.; Williams, E. R. J. Phys. Chem. 1995, 99, 4034.