News > Article

Reading Chemical “Fine Print”: The Key to Exploiting Nature’s Compositional Complexity

Most mass analysis relies on “nominal” mass accuracy (i.e., to within 1 Da).  However, more and more applications are based on much more accurate mass measurement.  Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) offers 10-100 times higher mass resolving power than other mass analyzers.

      High mass resolving power (m/Dm50% > 500,000) offers two major advantages: (a) it becomes possible to separate complex mixtures without prior chromatographic or gel separation; and (b) elemental composition may be determined from accurate (to within 100 ppb) mass measurement alone for unknown molecules up to ~1,000 Da.  Examples from environmental, petrochemical, analytical, and biological (e.g., proteomics & lipidomics) problems will be presented.

$$:  NSF (DMR-11-57490; CHE-10-16942, CHE-10-19193), BP/The Gulf of Mexico Research Initiative to the Deep-C Consortium, and the State of Florida.

Marshall, A. G.; Hendrickson, C. L.; Jackson, G. S. “Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: A Primer,” Mass Spectrom. Rev. 1998, 17, 1-35.

Marshall, A. G.; Rodgers, R. P. “Petroleomics: Chemistry of the Underworld,” Proc. Natl. Acad. Sci USA, 2008, 105, 18090-18095

Xian, F.; Hendrickson, C. L.; Blakney, G. T.; Beu, S. C.; Marshall, A. G. “Automated Broadband Phase Correction of Fourier Transform Ion Cyclotron Resonance Mass Spectra,” Anal. Chem. 2010, 82, 8807-8812

Xian, F.; Hendrickson, C. L.; Marshall, A. G. “High Resolution Mass Spectrometry,” Anal. Chem. 2012, 84, 708-719.

Dunk, P. W.; Kaiser, N. K.; Mulet-Gas, M.; Rodrigues-Fortea, A.; Poblet, J. M.; Shinohara, H.; Hendrickson, C. L.; Marshall, A. G.; Kroto, H. W. “The Smallest Stable Fullerene, M@C28 (M=Ti, Zr, U): Stabilization and Growth From Carbon Vapor,”J. Am. Chem. Soc. 2012, 134, 9380-9389.

Noble, A. J.; Zhang, Q.; O’Donnell, J.; Hariri, H.; Bhattacharya, N.; Marshall, A. G.; Stagg, S. M. “A Pseudoatomic Model of the COPII Cage Obtained from Cryo-Electron Microscopy and Mass Spectrometry,” Nature Struc. Mol. Biol. 2013, 20, 167-174.

Scotcher, J.; Bythell, B. J.; Marshall, A. G. “Unequivocal Determination of Site-Specific Protein Disulfide Bond Reduction Potentials by Top-down FT-ICR MS: Characterization of the N- and C-Terminal Redox-Active Sites in Human Thioredoxin 1,” Anal. Chem. 2013, 85, 9164-9172.

Ruddy, B. M.; Huettel, M.; Kostka, J. E.; Lobodin, V. V.; Bythell, B. J.; McKenna, A. M.; Aeppli, C.; Reddy, C. M.; Nelson, R. K.; Marshall, A. G.; Rodgers, R. P. “Targeted Petroleomics: Analytical Investigation of Oxidation Products of Macondo Well Oil from Pensacola Beach,” Energy & Fuels 2014, 28, 4043-4050.