PMID- 28732136
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180131
LR  - 20180131
IS  - 1096-9888 (Electronic)
IS  - 1076-5174 (Linking)
VI  - 52
IP  - 10
DP  - 2017 Oct
TI  - An approach to estimate the activation energies of fragmentation occurring in 
      quadrupole collision cell of the mass spectrometer.
PG  - 672-680
LID - 10.1002/jms.3971 [doi]
AB  - The classical semi-quantitative Rice-Ramsperger-Kassel (RRK) theory was used for 
      the calculation of the internal energy dependent reaction rate coefficient of the 
      collision-induced dissociation (CID) reaction in tandem mass spectrometry 
      (MS/MS). The survival yield (SY) was determined by the reaction rate equation for 
      the unimolecular dissociation of the precursor ion. The parameters of the rate 
      equation and the RRK model were approximated based on the instrumental 
      conditions. We used the RRK equation for the description of the basic behavior of 
      the fragmentation reactions and for the estimation of the internal energy of the 
      precursor ion. The critical energies for fragmentation (E(o) ) of various 
      molecules were estimated and compared with those reported in the literature. The 
      model was extended by taking into account the initial internal energy 
      distribution of the ions created in the ion source. It must be emphasized that 
      our approach provides only a crude estimate for E(o) .
CI  - Copyright (c) 2017 John Wiley & Sons, Ltd.
FAU - Kuki, Akos
AU  - Kuki A
AD  - Department of Applied Chemistry, University of Debrecen, Egyetem ter 1, Debrecen, 
      H-4032, Hungary.
FAU - Nagy, Lajos
AU  - Nagy L
AD  - Department of Applied Chemistry, University of Debrecen, Egyetem ter 1, Debrecen, 
      H-4032, Hungary.
FAU - Zsuga, Miklos
AU  - Zsuga M
AD  - Department of Applied Chemistry, University of Debrecen, Egyetem ter 1, Debrecen, 
      H-4032, Hungary.
FAU - Keki, Sandor
AU  - Keki S
AUID- ORCID: 0000-0002-5274-6117
AD  - Department of Applied Chemistry, University of Debrecen, Egyetem ter 1, Debrecen, 
      H-4032, Hungary.
LA  - eng
PT  - Journal Article
PL  - England
TA  - J Mass Spectrom
JT  - Journal of mass spectrometry : JMS
JID - 9504818
OTO - NOTNLM
OT  - RRK model
OT  - collision cell
OT  - collision-induced dissociation
OT  - survival yield
OT  - tandem mass spectrometry
EDAT- 2017/07/22 06:00
MHDA- 2017/07/22 06:01
CRDT- 2017/07/22 06:00
PHST- 2017/05/29 00:00 [received]
PHST- 2017/07/10 00:00 [revised]
PHST- 2017/07/18 00:00 [accepted]
PHST- 2017/07/22 06:00 [pubmed]
PHST- 2017/07/22 06:01 [medline]
PHST- 2017/07/22 06:00 [entrez]
AID - 10.1002/jms.3971 [doi]
PST - ppublish
SO  - J Mass Spectrom. 2017 Oct;52(10):672-680. doi: 10.1002/jms.3971.