title: Size-to-charge dispersion of collision-induced dissociation product ions for enhancement of structural information and product ion identification.
abstract: Ion mobility is used to disperse product ions formed by collision-induced dissociation (CID) on the basis of charge state and size-to-charge ratio. We previously described an approach for combining CID with ion mobility mass spectrometry (IM-MS) for dispersing fragment ions along charge state specific trend lines (Zinnel, N. F.; Pai, P. J.; Russell, D. H. Anal. Chem. 2012, 84, 3390; Sowell, R. A.; Koeniger, S. L.; Valentine, S. J.; Moon, M. H.; Clemmer, D. E. J. Am. Soc. Mass Spectrom. 2004, 15, 1341; McLean, J. A.; Ruotolo, B. T.; Gillig, K. J.; Russell, D. H. Int. J. Mass Spectrom. 2005, 240, 301), and this approach was used to assign metal ion binding sites for human metallothionein protein MT-2a (Chen, S. H.; Russell, W. K.; Russell, D. H. Anal. Chem. 2013, 85, 3229). Here, we use this approach to distinguish b-type N-terminal fragment ions from both internal fragment ions and y-type C-terminal fragment ions. We also show that in some cases specific secondary structural elements, viz., extended coils or helices, can be obtained for the y-type fragment ions series. The advantage of this approach is that product ion identity can be correlated to gas-phase ion structure, which provides rapid identification of the onset and termination of extended coil structure in peptides.
authors.affiliation: Laboratory for Biological Mass Spectrometry, Department of Chemistry, Texas A&M University , College Station, Texas 77842, United States.
authors.forename: Nathanael F
authors.initials: NF
authors.lastname: Zinnel
authors.forename: David H
authors.initials: DH
authors.lastname: Russell
mesh_terms: D000818:Animals; D002417:Cattle; D006801:Humans; D007328:Insulin / Q000737:chemistry; D007477:Ions; D008668:Metallothionein / Q000737:chemistry*; D008958:Models, Molecular; D008970:Molecular Weight; D010446:Peptide Fragments / Q000737:chemistry; D011487:Protein Conformation; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D007328:Insulin; D007477:Ions; D010446:Peptide Fragments; D008668:Metallothionein