A study of b1+H2O and b1-ions in the product ion spectra of dipeptides containing N-terminal basic amino acid residues

J Am Soc Mass Spectrom. 2007 Aug;18(8):1414-22. doi: 10.1016/j.jasms.2007.04.018. Epub 2007 Apr 29.

Abstract

The product ion spectra of approximately 200 dipeptides were acquired under low-energy conditions using a triple quadrupole mass spectrometer. The spectra of dipeptides containing an N-terminal arginine (R), histidine (H), or lysine (K) were observed to yield a b(1) + H(2)O ion corresponding to the protonated basic amino acid. This was equivalent to the y(1)-ion in the corresponding C-terminal isomer. The formation of a b(1) + H(2)O ion was not a significant fragmentation channel in any dipeptides analyzed including those containing a C-terminal basic amino acid unless they also contained an N-terminal basic amino acid. Occurring simultaneously and under equal energy conditions an apparent b(1)-ion was formed, which has its corresponding C-terminal equivalent in the y(1)-H(2)O ion. Energy resolved mass spectrometry (ERMS), deuterium labeling, and accurate mass experiments as well as data reported were used to show the relationships between the b(1)+H(2)O and b(1)-ions in the dipeptides containing an N-terminal basic amino acid and the y(1) and y(1)-H(2)O ions in the corresponding C-terminal isomers.

MeSH terms

  • Arginine / analysis
  • Dipeptides / chemical synthesis
  • Dipeptides / chemistry*
  • Histidine / analysis
  • Isomerism
  • Lysine / analysis
  • Molecular Structure
  • Spectrometry, Mass, Electrospray Ionization / methods*
  • Water / chemistry

Substances

  • Dipeptides
  • Water
  • Histidine
  • Arginine
  • Lysine