About me:

I am a graduate from the Ecole Supérieure de Physique et Chimie Industrielles de Paris. I have received a Master's Degree and a PhD in Spectroscopic Methods from the Université Pierre et Marie Curie (Paris VI) under the supervision of Pr. Jean-Claude Tabet. I have worked at Florida State University with Pr. Alan Marshall and at the Université Lille 1, Sciences et Technologies with Dr. Christian Rolando, before joining the University of Warwick. My specialty is two-dimensional Fourier transform ion cyclotron resonance mass spectrometry (2D FT-ICR MS).

About Two-Dimensional Mass Spectrometry:

Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry (2D FT-ICR MS) is a tandem mass spectrometry method that enables the correlation between precursor ions and their fragments without needing prior ion isolation, unlike other MS/MS techniques. The 2D maps that are generated with this technique show fragment ion scans, precursor ion scans and neutral loss lines that translate into information on the chemical structures of compounds in a complex sample, as well as similarities between compounds in a sample in a data-independent manner.

The first experiments in 2D FT-ICR MS were led by Gäumann et al. in 1987 with ion-molecule reactions.¹ However, the electronic stability of the mass analyzer and the computational capacities necessary for the large datasets generated by the 2D FT-ICR experiment only became available twenty years later. Since 2010, 2D FT-ICR MS has been developed into a fully-fledged analytical method, with an optimized pulse sequence to maximize signal-to-noise ratios and minimize artefact peaks and a user-friendly and efficient data processing and visualization program.² In order to reduce the effects of scintillation noise, a fast denoising algorithm has been developed.³

2D FT-ICR MS is a versatile method that can be coupled with various continuous ion sources (positive and negative ESI, APPI) and fragmentation modes (IRMPD, ExD) for a vast range of complex samples. 2D FT-ICR MS can elucidate the fragmentation pathways of cholesterol and how 2D FT-ICR MS can be applied to proteomics with various protein tryptic digests. Finally, 2D FT-ICR MS can correlate fragments and precursors for precursors with very close m/z ratios, which traditional MS/MS, which relies on ion isolation, struggles to do.

1. P. Pfaendler et al., J. Am. Chem. Soc. 1988, 110 (17), 5625-5628.
2. M.A. van Agthoven et al., Anal. and Bioanal. Chem. 2013, 405 (1), 51-61.
3. L. Chiron et al., Proc. Nat. Acad. Sci. 2014, 111 (4), 1385-1390.
4. M.A. van Agthoven et al., J. Am. Soc. Mass. Spectrom. 2015, 26 (12), 2105-2114.

Publication list:

Near-infrared compositional analysis of gas and condensate reservoir fluids at elevated pressures and temperatures
G. Fujisawa, M. A. van Agthoven, F. Jenet, P.A. Rabbito, O.C. Mullins, Applied Spectroscopy 56 (2002) 1615-1620.

Near-infrared spectral analysis of gas mixtures
M.A. van Agthoven, G. Fujisawa, P.A. Rabbito, O.C. Mullins, Applied spectroscopy 56 (2002) 593-598.

Methods and apparatus for determining chemical composition of reservoir fluids
G. Fujisawa, O.C. Mullins, T. Terabayashi, F.A. Jenet, M.A. van Agthoven, P.A. Rabbito, US Patent 7,095,012.

Ion kinetic energy measurements in two soft ion ejection methods from a quadrupole ion trap
M.A. van Agthoven, P. Colomby, M. Surugue, C. Beaugrand, F.L. Wind, J.-.C. Tabet, International Journal of Mass Spectrometry 296 (2010) 59-64.

Two-dimensional FT-ICR/MS with IRMPD as fragmentation mode
M.A. van Agthoven, M.A. Delsuc, C. Rolando, International Journal of Mass Spectrometry 306 (2011) 196-203.

Two‐dimensional Fourier transform ion cyclotron resonance mass spectrometry: reduction of scintillation noise using Cadzow data processing
M.A. van Agthoven, M.A. Coutouly, C. Rolando, M.A. Delsuc, Rapid Communications in Mass Spectrometry 25 (2011) 1609-1616.

Two-dimensional ECD FT-ICR mass spectrometry of peptides and glycopeptides
M.A. van Agthoven, L. Chiron, M.A. Coutouly, M.A. Delsuc, C. Rolando, Analytical Chemistry 84 (2012) 5589-5595.

Towards analytically useful two-dimensional Fourier transform ion cyclotron resonance mass spectrometry
M.A. van Agthoven, M.A. Delsuc, G. Bodenhausen, C. Rolando, Analytical and Bioanalytical Chemistry 405 (2013) 51-61.

Efficient denoising algorithms for large experimental datasets and their applications in Fourier transform ion cyclotron resonance mass spectrometry
L. Chiron, M.A. van Agthoven, B. Kieffer, C. Rolando, M.A. Delsuc, Proceedings of the National Academy of Sciences 111 (2014) 1385-1390.

Optimization of the discrete pulse sequence for two-dimensional FT-ICR mass spectrometry using infrared multiphoton dissociation
M.A. van Agthoven, L. Chiron, M.A. Coutouly, A.A. Sehgal, P. Pelupessy, M.A. Delsuc, C. Rolando, International Journal of Mass Spectrometry 370 (2014) 114-124.

Differentiating Fragmentation Pathways of Cholesterol by Two-Dimensional Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
M.A. van Agthoven, M.P. Barrow, L. Chiron, M.A. Coutouly, D. Kilgour, C.A. Wootton, J. Wei, A. Soulby, M.A. Delsuc, C. Rolando, P.B. O'Connor, Journal of the American Society for Mass Spectrometry 26 (2015) 2105-2114.

Uncoiling collagen: a multidimensional mass spectrometry study
H.J. Simon, M.A. van Agthoven, P.Y. Lam, F. Floris, L. Chiron, M.A. Delsuc, C. Rolando, M.P. Barrow, P.B. O'Connor, Analyst 141 (2016) 157-165.

This article was reported on in Chemistryworld: Uncoiling collagen using advanced computers.

Two-Dimensional Mass Spectrometry for Proteomics: a Comparative Study Using Cytocrome c
M.A. van Agthoven, C.A. Wootton, L. Chiron, M.A. Coutouly, A. Soulby, J. Wei, M.P. Barrow, M.A. Delsuc, C. Rolando, P.B. O'Connor, Analytical Chemistry 88 (2016) 4409-4417.