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The Structure of Gas-Phase Bradykinin Fragment 1-5 (RPPGF) Ions: An Ion Mobility Spectrometry and H/D Exchange Ion-Molecule Reaction Chemistry Study

The Structure of Gas-Phase Bradykinin Fragment 1-5 (RPPGF) Ions: An Ion Mobility Spectrometry and H/D Exchange Ion-Molecule Reaction Chemistry Study

Holly A Sawyer, Joseph T Marini, Earle G Stone, Brandon T Ruotolo, Kent J Gillig, David H Russell

J Am Soc Mass Spectrom. 2005 Jun;16(6):893-905.

PMID: 15878286

Abstract:

Ion mobility-mass spectrometry (IM-MS) data is interpreted as evidence that gas-phase bradykinin fragment 1-5 (BK1-5, RPPGF) [M + H](+) ions exist as three distinct structural forms, and the relative abundances of the structural forms depend on the solvent used to prepare the matrix-assisted laser desorption ionization (MALDI) samples. Samples prepared from organic rich solvents (90% methanol/10% water) yield ions having an ion mobility arrival-time distribution (ATD) that is dominated by a single peak; conversely, samples prepared using mostly aqueous solvents (10% methanol/90% water) yield an ATD composed of three distinct peaks. The BK1-5 [M + H](+) ions were also studied by gas-phase hydrogen/deuterium (H/D) exchange ion-molecule reactions and this data supports our interpretation of the IM-MS data. Plausible structures for BK1-5 ions were generated by molecular dynamics (MD). Candidate MD-generated structures correlated to measured cross-sections suggest a compact conformer containing a beta-turn whereas a more extended, open form does not contain such an interaction. This study illustrates the importance of intra-molecular interactions in the stabilization of the gas-phase ions, and these results clearly illustrate that solution-phase parameters (i.e., MALDI sample preparation) greatly influence the structures of gas-phase ions.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP23815896	Bradykinin Fragment 1-5		23815-89-6	Price

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