Separation and identification of structural isomers by quadrupole collision-induced dissociation-hydrogen/deuterium exchange-infrared multiphoton dissociation (QCID-HDX-IRMPD)

Journal of the American Society for Mass Spectrometry

Volumn 21, Issue 8, 2010, Pages 1329-1338

  Gucinski, Ashley C ^a   Somogyi, Árpád ^a   Chamot Rooke, Julia ^b   Wysocki, Vicki H ^a  

^a University of Arizona   (United States)

^b LABORATOIRE HÉTÉROÉLÉMENTS ET COORDINATION   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; IONS; ISOMERS; MOLECULAR STRUCTURE; PLANTS (BOTANY); POPULATION STATISTICS;

COLLISION INDUCED DISSOCIATION; DIFFERENT STRUCTURE; FRAGMENTATION PATTERNS; HYDROGEN-DEUTERIUM EXCHANGE; INFRARED MULTIPHOTON DISSOCIATION; IRMPD SPECTROSCOPY; MULTIPLE STRUCTURES; SEPARATION AND IDENTIFICATION;

ION EXCHANGE;

ALANYLGLYCYLPHENYLALANYLLEUCYLTYROSINE; AMMONIA; GLYCYLPHENYLALANYLLEUCYLTYROSYLALANINE; LEUCYLPHENYLALANYLGLYCYLALANYLTYROSINE; LEUCYLTYROSYLALANYLGLYCYLPHENYLALANINE; PHENYLALANYLLEUCYLTYROSYLALANYLGLYCINE; POLYPEPTIDE; TYROSYLALANYLGLYCYLPHENYLALANYLLEUCINE; TYROSYLALANYLGLYCYLPHENYLALANYLLEUCINE AMIDE; TYROSYLALANYLGLYCYLPHENYLALANYLLEUCINE FREE ACID; TYROSYLALANYLGLYCYLPHENYLALANYLLEUCINE METHYL ESTER; UNCLASSIFIED DRUG; PEPTIDE;

AMINO ACID SEQUENCE; ARTICLE; CARBOXY TERMINAL SEQUENCE; CHEMICAL REACTION; DEUTERIUM HYDROGEN EXCHANGE; FRAGMENTATION REACTION; INFRARED MULTIPHOTON DISSOCIATION; MASS SPECTROMETER; PEPTIDE ANALYSIS; PROTEIN STRUCTURE; PROTON TRANSPORT; QUADRUPOLE COLLISIONALLY ACTIVATED DISSOCIATION; SEQUENCE HOMOLOGY; WATER LOSS; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; ISOMERISM; METHODOLOGY; TANDEM MASS SPECTROMETRY;

AMINO ACID SEQUENCE; DEUTERIUM EXCHANGE MEASUREMENT; ISOMERISM; PEPTIDES; SPECTROPHOTOMETRY, INFRARED; TANDEM MASS SPECTROMETRY;

EID: 80052648943     PISSN: 10440305     EISSN: 18791123     Source Type: Journal    
DOI: 10.1016/j.jasms.2010.03.036     Document Type: Article

References (35)

1. Hunt, D. F.; Yates, J. R.; Shabanowitz, J.; Winston, S.; Hauer, C. R. Protein Sequencing by Tandem Mass Spectrometry. Proc. Natl. Acad. Sci. U. S. A. 1986, 83, 6233-6237.
2. Aebersold, R.; Mann, M. Mass Spectrometry-Based Proteomics. Nature 2003, 422, 198-207.
3. Eng, J. K.; McCormack, A. L.; Yates, J. R. An Approach to Correlate Tandem Mass Spectral Data of Peptides with Amino Acid Sequences in a Protein Database. J. Am. Soc. Mass Spectrom. 1994, 5, 976-989.
4. Perkins, D. N.; Pappin, D. J.; Creasy, D. M.; Cottrell, J. S. Probability- Based Protein Identification by Searching Sequence Databases Using Mass Spectrometry data. Electrophoresis 1999, 20, 3551-3567.
5. Dongre, A. R.; Jones, J. L.; Somogyi, A.; Wysocki, V. Influence of Peptide Composition, Gas-Phase Basicity, and Chemical Modification on Fragmentation Efficiency: Evidence for the Mobile Proton Model. J. Am. Chem. Soc. 1996, 118, 8365-8374.
6. Paizs, B.; Suhai, S. Fragmentation Pathways of Protonated Peptides. Mass Spectrom. Rev. 2005, 24, 508-548.
7. Elias, J. E.; Gibbons, F. D.; King, O. D.; Roth, F. P.; Gygi, S. P. Intensity-Based Protein Identification by Machine Learning from a Library of Tandem Mass Spectra. Nat. Biotechnol. 2004, 22, 214-219.
8. Nesvizhskii, A. E.; Vitek, O.; Aebersold, R. Analysis and Validation of Proteomic Data Generated by Tandem Mass Spectrometry. Nat. Methods 2007, 4, 787-797.
9. Resing, K. A.; Meyer-Arendt, K.; Mendoza, A. M.; Aveline-Wolf, L. D.; Jonscher, K. R.; Pierce, K. G.; Old, W. M.; Cheung, H. T.; Russell, S.; Wattawa, J. L.; Goehle, G. R.; Knight, R. D.; Ahn, N. G. Improving Reproducibility and Sensitivity in Identifying Human Proteins by Shotgun Proteomics. Anal. Chem. 2004, 76, 3556-3568.
10. Tabb, D. L.; Smith, L. L.; Breci, L. A.; Wysocki, V. H.; Lin, D.; Yates, J. R. Statistical Characterization of Ion Trap Tandem Mass Spectra from Doubly Charged Tryptic Peptides. Anal. Chem. 2003, 75, 1155-1163.
11. + Ions in the Gas Phase. J. Am. Soc. Mass Spectrom. 1993, 4, 477-481.
12. + ions. J. Am. Soc. Mass Spectrom. 1998, 9, 945-956.
13. Reid, G. E.; Simpson, R. J.; O'Hair, R. A. J. Probing the Fragmentation Reactions of Protonated Glycine Oligomers via Multistage Mass Spectrometry and Gas Phase Ion Molecule Hydrogen/Deuterium Exchange. Int. J. Mass Spectrom. 1999, 190/191, 209-230.
14. Campbell, S.; Rodgers, M. T.; Marzluff, E. M.; Beauchamp, J. L. Structural and Energetic Constraints on Gas Phase Hydrogen/Deuterium Exchange Reactions of Protonated Peptides with D2O, CD3OD, CD3CO2D, and ND3. J. Am. Chem. Soc. 1994, 116, 9765-9766.
15. Freitas, M. A.; Marshall, A. G. Rate and Extent of Gas-Phase Hydrogen/ Deuterium Exchange of Bradykinins: Evidence for Peptide Zwitterions in the Gas Phase. Int. J. Mass Spectrom. 1999, 182/183, 221-231.
16. Herrmann, K.; Kuppanan, K.; Wysocki, V. Fragmentation of Doubly- Protonated Peptide Ion Populations Labeled by H/D Exchange with CD3OD. Int. J. Mass Spectrom. 2006, 249, 93-105.
17. Mazurek, U.; McFarland, M. A.; Marshall, A. G.; Lifshitz, C. Isolation of Isomers Based on Hydrogen/Deuterium Exchange in the Gas Phase. Eur. J. Mass Spectrom. 2004, 10, 755-758.
18. Chen, X.; Yu, L.; Steill, J.; Oomens, J.; Polfer, N. C. Effect of Peptide Fragment Size on the Propensity of Cyclization in Collision-Induced Dissociation: Oligoglycine b2-b8. J. Am. Chem. Soc. 2009, 131(51), 18977-18982.
19. Bythell, B. J.; Somogyi, A.; Paizs, B. What is the Structure of b2 Ions generated from Doubly Protonated Tryptic Peptides? J. Am. Soc. Mass Spectrom. 2009, 20, 618-624.
20. Somogyi, A. Probing Peptide Fragment Ion Structures by Combining Sustained Off-Resonance Collision-Induced Dissociation and Gas-Phase H/D Exchange (SORI-HDX) in Fourier Transform Ion-Cyclotron Resonance (FT-ICR) Instruments. J. Am. Soc. Mass Spectrom. 2008, 19, 1771-1775.
21. Riba-Garcia, I.; Giles, K.; Bateman, R. H.; Gaskell, S. J. Evidence for Structural Variants of a- and b-Type Peptide Fragment Ions Using Combined Ion Mobility/Mass Spectrometry. J. Am. Soc. Mass Spectrom. 2008, 19, 609-613.
22. Polfer, N. C.; Bohrer, B. C.; Plasencia, M. D.; Paizs, B.; Clemmer, D. E. On the Dynamics of Fragment Isomerization in Collision-Induced Dissociation of Peptides. J. Phys. Chem. A 2008, 112, 1286-1293.
23. Oomens, J.; Young, S.; Molesworth, S.; van Stipdonk, M. Spectroscopic Evidence for an Oxazolone Structure of the b2 Fragment Ion from Protonated Tri-Alanine. J. Am. Soc. Mass Spectrom. 2009, 2009, 334-339.
24. Polfer, N. C.; Oomens, J.; Suhai, S.; Paizs, B. Spectroscopic and Theoretical Evidence for Oxazolone Ring Formation in Collision- Induced Dissociation of Peptides. J. Am. Chem. Soc. 2005, 127, 17154-17155.
25. + Ion. J. Am. Chem. Soc. 2008, 130, 17644-17645.
26. + Ion. J. Am. Chem. Soc. 2009, 131, 17528-17529.
27. Eyler, J. R. Infrared Multiple Photon Dissociation Spectroscopy of Ions in Penning Traps. Mass Spectrom. Rev. 2009, 28, 468-494.
28. Polfer, N. C.; Oomens, J. Vibrational Spectroscopy of Bare and Solvated Ionic Complexes of Biological Relevance. Mass Spectrom. Rev. 2009, 28, 468-494.
29. Polfer, N. C.; Oomens, J.; Suhai, S.; Paizs, B. Infrared Spectroscopy and Theoretical Studies on Gas-Phase Protonated Leu-enkephalin and Its Fragments: Direct Experimental Evidence for the Mobile Proton. J. Am. Chem. Soc. 2007, 129(18), 5887-5897.
30. Atherton, E.; Sheppard, R. C. Solid-Phase Peptide Synthesis: A Practical Approach; Oxford University Press: Oxford, 1989.
31. Bleiholder, C.; Osburn, S.; Williams, T. D.; Suhai, S.; Van Stipdonk, M.; Harrison, A. G.; Paizs, B. Sequence-Scrambling Fragmentation Pathways of Protonated Peptides. J. Am. Chem. Soc. 2008, 130, 17774-17789.
32. Harrison, A. G.; Young, A. B.; Bleiholder, C.; Suhai, S.; Paizs, B. Scrambling of Sequence Information in Collision-Induced Dissociation of Peptides. J. Am. Chem. Soc. 2006, 75, 1524-1535.
33. + ions. J. Am. Soc. Mass Spectrom. 1998, 9, 945-956.
34. Bleiholder, C.; Osburn, S.; Williams, T. D.; Suhai, S.; Van Stipdonk, M.; Harrison, A. G.; Paizs, B. Sequence-Scrambling Fragmentation Pathways Protonated Peptides. J. Am. Chem. Soc. 2008, 130, 17774-17789.
35. Zhang, Z. Prediction of Low-Energy Collision Induced Dissociation Spectra of Peptides. Anal. Chem. 2004, 76, 3908-3922.