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https://hdl.handle.net/2440/78439
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Type: | Journal article |
Title: | Fragmentations of [M − H]⁻ anions of peptides containing tyrosine sulfate. Does the sulfate group rearrange? A joint experimental and theoretical study |
Other Titles: | Fragmentations of [M - H](-) anions of peptides containing tyrosine sulfate. Does the sulfate group rearrange? A joint experimental and theoretical study |
Author: | Tran, T. Wang, T. Hack, S. Bowie, J. |
Citation: | Rapid Communications in Mass Spectrometry, 2013; 27(10):1135-1142 |
Publisher: | John Wiley & Sons Ltd |
Issue Date: | 2013 |
ISSN: | 0951-4198 1097-0231 |
Statement of Responsibility: | T. T. Nha Tran, Tianfang Wang, Sandra Hack and John H. Bowie |
Abstract: | <h4>Rationale</h4>To investigate the fragmentations in the negative-ion electrospray mass spectra of peptides containing tyrosine sulfate.<h4>Methods</h4>Possible fragmentation mechanisms were explored using a Waters QTOF2 tandem mass spectrometer in concert with calculations at the CAM-B3LYP/6-311++g(d,p) level of theory.<h4>Results</h4>The major negative ion formed in the ESI-MS of peptides containing tyrosine sulfate is [(M-H)-SO3](-) and this process normally yields the base peak of the spectrum. The basic backbone cleavages of [(M-H)-SO3](-) allowed the sequence of the peptide to be determined. Rearrangement reactions involving the formation of HOSO3(-) and [(M-H)-H2SO4](-) yielded minor peaks with relative abundances ≤ 10% and ≤ 2%, respectively.<h4>Conclusions</h4>The mass spectra of the [M-H](-) and [(M-H)-SO3](-) anions of peptides containing tyrosine sulfate allowed the position of the tyrosine sulfate group to be determined, together with the amino acid sequence of the peptide. |
Keywords: | Anions Protons Tyrosine Peptide Fragments Spectrometry, Mass, Electrospray Ionization Amino Acid Sequence Models, Theoretical |
Rights: | Copyright © 2013 John Wiley & Sons, Ltd. |
DOI: | 10.1002/rcm.6547 |
Grant ID: | ARC |
Published version: | http://dx.doi.org/10.1002/rcm.6547 |
Appears in Collections: | Aurora harvest IPAS publications |
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