The fragmentations of [M-H]- anions derived from underivatised peptides. The side-chain loss of H2S from Cys. A joint experimental and theoretical study

Rapid Communications in Mass Spectrometry

Volumn 17, Issue 22, 2003, Pages 2488-2494

  Bilusich, Daniel ^a   Brinkworth, Craig S ^a   McAnoy, Andrew M ^a   Bowie, John H ^a  

^a UNIVERSITY OF ADELAIDE   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; CHAINS; PEPTIDES;

DEUTERIUM LABELLING; ENOLATE ANIONS; EXCESS ENERGY; HF/6-31G; SIDE-CHAINS; THEORETICAL STUDY; TO EFFECT;

NEGATIVE IONS;

ANION; CARBON DIOXIDE; CYSTEINE; DEUTERIUM; HYDROGEN; HYDROGEN SULFIDE; PEPTIDE; SERINE;

ARTICLE; CALCULATION; CARBOXY TERMINAL SEQUENCE; CHEMICAL REACTION; ENERGY; FRAGMENTATION REACTION; IONIZATION; MASS SPECTROMETRY; MEASUREMENT;

EID: 0242695773     PISSN: 09514198     EISSN: None     Source Type: Journal    
DOI: 10.1002/rcm.1224     Document Type: Article

References (20)

1. Bowie JH, Brinkworth CS, Dua S. Mass Spectrom. Rev. 2002; 21: 87.
2. Bowie JH, Wegener KL, Wabnitz PA, Chia BCS, Carver JA, Wallace JC, Tyler MJ. Prot. Pept. Lett. 1999; 6: 259.
3. Biemann K, Martin S. Mass Spectrom. Rev. 1987; 6: 1.
4. Eckersley M, Bowie JH, Hayes RN. Int. J. Mass Spectrom. Ion Processes 1989; 93: 199.
5. Bradford AM, Waugh RJ, Bowie JH. Rapid Commun. Mass Spectrom. 1995; 9: 677.
6. Dewer MSJ, Zoebisch EG, Healy EF, Stewart JJP. J. Am. Chem. Soc. 1985; 107: 3902.
7. Wavefunction Inc., 18401 Von Karmen Ave, Suite 370, Irvine, CA 92715, USA.
8. Brinkworth CS, Dua S, McAnoy AM, Bowie JH. Rapid Commun. Mass Spectrom. 2001; 15: 1726; see also: "A guide to molecular mechanics and molecular orbital calculation in SPARTAN", Wavefunction Inc., 18401 von Karman Ave, Suite 370, Irvine, CA, 92715, USA, 1997.
9. Brinkworth CS, Dua S, McAnoy AM, Bowie JH. Rapid Commun. Mass Spectrom. 2001; 15: 1726; see also: "A guide to molecular mechanics and molecular orbital calculation in SPARTAN", Wavefunction Inc., 18401 von Karman Ave, Suite 370, Irvine, CA, 92715, USA, 1997.
10. Hehre WJ, Yu J, Klunzinger PE. A Guide to Molecular Mechaniscs and Molecular Orbital Calculations in SPARTAN. Wavefunction Inc., 18401 Von Karmen Ave, Suite 370, Irvine, CA 92715, USA.
11. Frisch MJ, Trucks GW, Schlegel HB, Gill PMW, Johnson BG, Robb MA, Cheeseman JR, Keith T, Peterson GA, Montgomery JA, Raghavachari K, Al-Laham MA, Zakrzewski VG, Ortiz JV, Foresman JB, Peng CY, Ayala PY, Chen W, Wong MW, Andres JL, Replogle ES, Gomperts R, Martin RL, Fox DJ, Binkley JS, Defrees DJ, Baker J, Stewart JP, Head-Gordon M, Gonzales C, Pople JA. GAUSSIAN 98, GAUSSIAN Inc., Pittsburgh, PA, 1999.
12. Waugh RJ, Eckersley M, Bowie JH, Hayes RN. Int. J. Mass Spectrom. Ion Processes 1990; 98: 135.
13. Adams J, Gross ML. J. Am. Chem. Soc. 1989; 111: 435, and references cited therein.
14. Adams J. Mass Spectrom. Rev. 1990; 9: 141.
15. Gross ML. Int. J. Mass Spectrom. Ion Processes 1992; 118/119: 137.
16. Dua S, Bowie JH, Cerda BA, Wesdemiotis C, Raftery MJ, Kelly JF, Taylor MS, Blanksby SJ, Buntine MA. J. Chem. Soc. Perkin Trans 2 1997; 695.
17. Dua S, Bowie JH, Cerda BA, Wesdemiotis C. J. Chem. Soc. Perkin Trans 2 1998; 1443.
18. Brinkworth CS, Dua S, Bowie JH. Eur. J. Mass Spectrom. 2002; 8: 53.
19. Aylward G, Findlay T. SI Chemical Data, (3rd edn). John Wiley: Brisbane, New York, Chichester, Toronto, Singapore, 1994; 115.
20. NIST website. Available: http://webbook.nist.gov/.