How to Reach Ultrahigh Resolution in Mass Spectrometry and How Can We Use it for Analytical Purposes

Evgeny Nikolaev
Institute for Energy Problems of Chemical Physics Russian Academy of Sciences , Moscow, Russia
Skolkovo Institute of Science and Technology Skolkovo, Moscow Region, Russia
Moscow Institute of Physics and Technology, Dolgoprudnyi, Moscow Region, Russia

Mass spectrometry of ion cyclotron resonance with Fourier transform (FT ICR MS) invented by Comisarow and Marshall in 1974 continues to be the instrument of choice for analysis of complex chemical and biological mixtures. It provides the highest mass resolving power among other types of modern mass spectrometers. FT ICR MS technique is based on measuring of cyclotron frequencies of ions rotating inside a Penning trap in high magnetic field. The resolving power of FT ICR MS now reaches around 10 million on moderate field (below 7 tesla) superconducting magnets [1]. This progress was reached during the last decade due to understanding of ion motion physics. This level of mass resolution became possible with the new class of Penning traps, so-called ICR cells with dynamic harmonization, which was discovered via supercomputer simulations.  With this cell, isotopic fine structure of peptides was resolved. Peak intensity distribution in fine structure permits to determine atomic composition of ions [2]. Baseline isotopic resolution (13C isotopes) was reached for proteins with molecular masses of up to 200 kDa. With the use of dynamically harmonized FT ICR cell the organic substances, extracted from Moon soil, delivered by Russian spacecraft Luna-24, have been analyzed and identified. Also it was shown that quantitative analysis, based on “neutron coding”, is possible  within high dynamic range, Application of this new technique to analysis of crude oil and other complex chemical mixtures will be discussed.

1.           Eugene N. Nikolaev, Ivan A. Boldin, Roland Jertz and Gökhan Baykut. Initial Experimental Characterization of a new ultra-high resolution FT-ICR Cell with Dynamic Harmonization, J Am Soc Mass Spectrom, 22(7) 2011, 1125-1129

2.           Eugene N. Nikolaev, Roland Jertz, Anton Grigoryev, and Gökhan Baykut, Fine Structure in Isotopic Peak Distributions Measured Using a Dynamically Harmonized Fourier Transform Ion Cyclotron Resonance Cell at 7 T Anal. Chem. 84 (5), 2012, 2275–2283