Theoretical prediction of ion abundances in the mass spectra of peptides using masskinetics

Research output: Contribution to conferencePaper

Abstract

The collision energy dependent mass spectra of leucin enkephalin were modeled. MassKinetics algorithm was used to calculate the peptide mass spectra. Vibrational frequencies were determined by quantum chemical calculations using dft techniques. Results show that the mass spectrometric fragmentation of the peptides studied can be described in a wide energy range based on molecular parameters only.

Original languageEnglish
Number of pages1
Publication statusPublished - Dec 1 2002
EventProceedings - 50th ASMS Conference on Mass Spectrometry and Allied Topics - Orlando, FL, United States
Duration: Jun 2 2002Jun 6 2002

Other

OtherProceedings - 50th ASMS Conference on Mass Spectrometry and Allied Topics
CountryUnited States
CityOrlando, FL
Period6/2/026/6/02

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ASJC Scopus subject areas

  • Spectroscopy

Cite this

Vekey, K., Drahos, L., & Peltz, C. (2002). Theoretical prediction of ion abundances in the mass spectra of peptides using masskinetics. Paper presented at Proceedings - 50th ASMS Conference on Mass Spectrometry and Allied Topics, Orlando, FL, United States.