TY - JOUR
T1 - Theory for spiralling ions for 2D FT-ICR and comparison with precessing magnetization vectors in 2D NMR
AU - Sehgal, Akansha Ashvani
AU - Pelupessy, Philippe
AU - Rolando, Christian
AU - Bodenhausen, Geoffrey
N1 - Funding Information:
The authors thank the Centre National de la Recherche Scientifique (CNRS, France), the Défi Instrumentation aux limites, the Agence Nationale pour la Recherche (ANR, France) (grant 2010FT-ICR2D and grant Défi de tous les savoirs 2014, ONE-SHOT-FT-ICR-MS-2D) and the European Research Council (ERC, advanced grant ?Dilute para water?) for financial support.
Publisher Copyright:
© the Owner Societies 2016.
PY - 2016/4/7
Y1 - 2016/4/7
N2 - Two-dimensional (2D) Fourier transform ion cyclotron resonance (FT-ICR) offers an approach to mass spectrometry (MS) that pursuits similar objectives as MS/MS experiments. While the latter must focus on one ion species at a time, 2D FT ICR can examine all possible correlations due to ion fragmentation in a single experiment: correlations between precursors, charged and neutral fragments. We revisited the original 2D FT-ICR experiment that has hitherto fallen short of stimulating significant analytical applications, probably because it is technically demanding. These shortcomings can now be overcome by improved FT-ICR instrumentation and computer hard- and software. We seek to achieve a better understanding of the intricacies of the behavior of ions during a basic two-dimensional ICR sequence comprising three simple monochromatic pulses. Through simulations based on Lorentzian equations, we have mapped the ion trajectories for different pulse durations and phases.
AB - Two-dimensional (2D) Fourier transform ion cyclotron resonance (FT-ICR) offers an approach to mass spectrometry (MS) that pursuits similar objectives as MS/MS experiments. While the latter must focus on one ion species at a time, 2D FT ICR can examine all possible correlations due to ion fragmentation in a single experiment: correlations between precursors, charged and neutral fragments. We revisited the original 2D FT-ICR experiment that has hitherto fallen short of stimulating significant analytical applications, probably because it is technically demanding. These shortcomings can now be overcome by improved FT-ICR instrumentation and computer hard- and software. We seek to achieve a better understanding of the intricacies of the behavior of ions during a basic two-dimensional ICR sequence comprising three simple monochromatic pulses. Through simulations based on Lorentzian equations, we have mapped the ion trajectories for different pulse durations and phases.
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U2 - 10.1039/c6cp00641h
DO - 10.1039/c6cp00641h
M3 - Article
AN - SCOPUS:84962023042
SN - 1463-9076
VL - 18
SP - 9167
EP - 9175
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 13
ER -