Dissociation of individual isotopic peaks: Predicting isotopic distributions of product ions in MSn

Journal of the American Society for Mass Spectrometry

Volumn 14, Issue 4, 2003, Pages 311-322

  Rockwood, Alan L ^a   Kushnir, Mark M ^a   Nelson, Gordon J ^a  

^a ARUP INSTITUTE FOR CLINICAL AND EXPERIMENTAL PATHOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION; DISSOCIATION; MOLECULAR WEIGHT; STRUCTURE (COMPOSITION);

TANDEM MASS SPECTROMETRY;

IONS;

ION; ISOTOPE;

MASS SPECTROMETRY;

ALGORITHM; ANALYTIC METHOD; ARTICLE; CHEMICAL COMPOSITION; CHEMICAL STRUCTURE; DISSOCIATION; ISOTOPE ANALYSIS; PREDICTION; TANDEM MASS SPECTROMETRY;

EID: 0038715267     PISSN: 10440305     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1044-0305(03)00062-X     Document Type: Article

References (28)

1. Martin S.A., Biemann K. A Comparison of keV Atom Bombardment Mass Spectra of Peptides Obtained with a Two-Sector Mass Spectrometer with Those from a Four-Sector Tandem Mass Spectrometer. Int. J. Mass Spectrom. Ion Processes. 78:1987;213-228.
2. Martin, S. A.; Scoble, H. A.; Costello, C. E.; Biemann, K. Resolution Reqirements of a High Performance Tandem Mass Spectrometer. Proceedings of the 35th ASMS Conference; Denver, CO, May 1987, pp 78-79.
3. Bozorgzadeh M.H., Morgan R.P., Beynon J.H. Application of Mass-analyzed Ion Kinetic Energy Spectrometry (MIKES) to the Determination of the Structures of Unknown Compounds. Analyst. 103:1978;613-622.
4. Todd P.J., Barbalas M.P., McLafferty F.W. Collisional Activation Mass Spectra of Ions Containing Polyisotopic Elements. Org. Mass Spectrom. 17:1982;79-80.
5. O'Conner P.B., Little D.P., McLafferty F.W. Isotopic Assignment in Large-Molecule Mass Spectra by Fragmentation of a Selected Isotopic Peak. Anal. Chem. 68:1996;542-545.
6. Roussis S.G. Automated Tandem Mass Spectrometry by Orthogonal Acceleration TOF Data Acquisition and Simultaneous Magnet Scanning for the Characterization of Petroleum Mixtures. Anal. Chem. 73:2001;3611-3623.
7. Barbalas M.P., McLafferty F.W., Occolowitz J.L. Targeted Analysis of β-Lactam Antibiotics by Tandem Mass Spectrometry. Biomed. Mass Spectrom. 10:1983;258-261.
8. Hunt D.F., Shabanowitz J. Determination of Organosulfur Compounds in Hydrocarbon Mixtures by Collisional Activated Dissociation Mass Spectrometry. Anal. Chem. 54:1982;574-578.
9. Palmer, P. T.; Enke, C. G. Empirical Formula Determination by Triple Quadrupole Mass Spectrometry. Proceedings of the 34th ASMS Conference; Cincinnati, OH, June 1986, pp 288-289.
10. Tou J.C., Zakett D., Caldecourt V.J. Tandem Mass Spectrometry of Industrial Chemicals. McLafferty F.W. In Tandem Mass Spectrometry. 1983;441-446 John Wiley and Sons, New York.
11. Rockwood A.L., Van Orden S.L. Ultrahigh-Speed Calculation of Isotope Distributions. Anal. Chem. 68:1996;2027-2030.
12. Rockwood A.L., Van Orden S.L., Smith R.D. Rapid Calculation of Isotope Distributions. Anal. Chem. 67:1995;2699-2704.
13. Kubinyi H. Calculation of Isotope Distributions in Mass Spectrometry. A Trivial Solution for a Non-Trivial Problem. Anal. Chim. Acta. 247:1991;107-119.
14. Senko, M. W. IsoPro Version 3.03a, 1998.
15. Yergey J.A. A General Approach to Calculating Isotopic Distributions for Mass Spectrometry. Int. J. Mass Spectrom. Ion Phys. 52:1983;337-349.
16. Hsu C.S. Diophantine Approach to Isotopic Abundance Calculations. Anal. Chem. 56:1984;1356-1361.
17. Brownawell M.L., San Filippo J. Jr. A Program for the Synthesis of Mass Spectral Isotopic Abundances. J. Chem. Edu. 59:1982;663-665.
18. Werlen R.C. Effect of Resolution on the Shape of Mass Spectra of Proteins: Some Theoretical Considerations. Rapid Commun. Mass Spectrom. 8:1994;976-980.
19. Parker, S. P. (Ed.) Dictionary of Mathematics; McGraw-Hill, New York: 1997, p 177.
20. Emmanuel C. I.; Barrie, W. J. Digital Signal Processing, a Practical Approach, 2nd ed.; Prentice Hall: New York, 2002; p 5.
21. Wan K.X., Vidavsky I., Gross M.L. Comparing Similar Spectra From Similarity Index to Spectral Contrast Angle . J. Am. Soc. Mass Spectrom. 13:2001;85-88.
22. Maksodian Y. L. Probability and Statistics with Applications; International Textbook Company: Scranton, 1966; pp 83-84.
23. Valianpour F., Wanders R.J.A., Barth P.G., Overmars H., van Gennip A.H. Quantitative and Compositional Study of Cardiolipin in Platelets by Electrspray Ionization Mass Spectrometry Applications for the Identification of Barth Wyndrome Patients . Clin. Chem. 48:2002;1391-1397.
24. Psi-Plot Version 6.5 for Windows; Poly Software International Inc., Pearl River, NY.
25. Senko M.W., Beu S.C., McLafferty F.W. Determination of Monoisotopic Masses and Ion Populations for Large Biomolecules from Resolved Isotopic Distributions. J. Am. Soc. Mass Spectrom. 6:1995;229-233.
26. Wolf, B. P.; Sumner, C. A.; Grapperhaus, C. A., Musie, G.; Darensbourg, M. Y.; Russell, D. H. ESI-MS of Organometalic Compounds. Proceedings of the 44th ASMS Conference; Portland, OR, May 1996, p 659.
27. James, B.; Stevens, K. L.; Buzard, D. J.; Keith, J. M.; Pavlovich, J. G.; Lipshutz, B. H. Analysis of Copper and Ruthenium Complexes by ESI-MS. Proceedings of the 44th ASMS Conference; Portland, OR, May 1996, p 661.
28. Rockwood A.L. Deconvoluting Isotopic Distributions to Evaluate Parent/Fragment Ion Relationships. Rapid Commun. Mass Spectrom. 11:1997;241-248.