Internal energy distribution of peptides in electrospray ionization

ESI and collision-induced dissociation spectra calculation

Alireza Pak, Denis Lesage, Yves Gimbert, K. Vékey, Jean Claude Tabet

Research output: Contribution to journalArticle

30 Citations (Scopus)

Abstract

The internal energy of ions and the timescale play fundamental roles in mass spectrometry. The main objective of this study is to estimate and compare the internal energy distributions of different ions (different nature, degree of freedom 'DOF' and fragmentations) produced in an electrospray source (ESI) of a triple-quadrupole instrument (Quattro I Micromass). These measurements were performed using both the Survival Yield method (as proposed by De Pauw) and the MassKinetics software (kinetic model introduced by Vékey). The internal energy calibration is the preliminary step for ESI and collision-induced dissociation (CID) spectra calculation. meta-Methyl-benzylpyridinium ion and four protonated peptides (YGGFL, LDIFSDF, LDIFSDFR and RLDIFSDF) were produced using an electrospray source. These ions were used as thermometer probe compounds. Cone voltages (Vc) were linearly correlated with the mean internal energy values (<Eint >) carried by desolvated ions. These mean internal energy values seem to be slightly dependent on the size of the studied ion. ESI mass spectra and CID spectra were then simulated using the MassKinetics software to propose an empirical equation for the mean internal energy (<Eint >) versus cone voltage (Vc) for different source temperatures (T): <Eint > = [405 × 10-6 - 480 × 10-9 (DOF)] VcT + E therm(T). In this equation, the Etherm(T) parameter is the mean internal energy due to the source temperature at 0 Vc.

Original languageEnglish
Pages (from-to)447-455
Number of pages9
JournalJournal of Mass Spectrometry
Volume43
Issue number4
DOIs
Publication statusPublished - Apr 2008

Fingerprint

Electrospray ionization
internal energy
Peptides
peptides
energy distribution
dissociation
Ions
ionization
collisions
Cones
cones
Electric potential
ions
electric potential
Software
Thermometers
Temperature
computer programs
thermometers
Calibration

Keywords

  • Electrospray ionization
  • ESI
  • Internal energy distribution
  • MassKinetics computer software
  • Protonated peptides
  • RRKM calculations
  • Triple-quadrupole mass spectrometer

ASJC Scopus subject areas

  • Organic Chemistry
  • Spectroscopy
  • Biophysics

Cite this

Internal energy distribution of peptides in electrospray ionization : ESI and collision-induced dissociation spectra calculation. / Pak, Alireza; Lesage, Denis; Gimbert, Yves; Vékey, K.; Tabet, Jean Claude.

In: Journal of Mass Spectrometry, Vol. 43, No. 4, 04.2008, p. 447-455.

Research output: Contribution to journalArticle

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