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Insights into the fragmentation pathways of gas-phase protonated sulfoserine

2014; Elsevier BV; Volume: 379; Linguagem: Inglês

10.1016/j.ijms.2014.12.001

1873-2798

Amanda L. Patrick, Corey N. Stedwell, Baptiste Schindler, Isabelle Compagnon, Giel Berden, Jos Oomens, Nicolas C. Polfer,

Analytical Chemistry and Chromatography

The fragmentation chemistry of protonated sulfoserine was probed using a combination of collision-induced dissociation (CID) mass spectrometry, infrared multiple photon dissociation (IRMPD) spectroscopy, and density functional theory (DFT) calculations. The IRMPD spectra of the dominant fragment ions at m/z 106 and 88 (i.e., loss of SO3 and H2SO4) were obtained and used to determine the corresponding structures. By comparison to a synthetic standard and calculations, it was determined that the m/z 106 ion is structurally identical to protonated serine. The m/z 88 fragment ion was assigned an aziridine structure based on a comparison to theory, analogous to the structure previously proposed by others for phosphoric acid loss from phosphoserine. This work provides the first spectroscopic insights into the dissociation pathways of a sulfated amino acid, laying the groundwork for future studies on related amino acids and peptides with this important, labile post-translational modification.