Ion Mobility & Multidimensional Separations

Adding a new dimension to separate molecules by size and shape.

By coupling ion mobility spectrometry with mass spectrometry and liquid- phase separations, we resolve molecules that are otherwise impossible to tell apart. We build the hardware and methods that push the resolving power and information content of these multidimensional analytical platforms.

ion mobilityIM-MSmultidimensional separationsinstrumentation

Selected publications

All publications→

2022
CCS Predictor 2.0: An Open-Source Jupyter Notebooks Tool for Filtering Out False Positives in Metabolomics
Markace A. Rainey, Chandler A. Watson, Makayla R. Foster, Erin S. Baker, Facundo M. Fernández*. Anal Chem. 2022, 94, 50, 17456–17466
2022
In silico Collision Cross Section (CCS) Calculations to Aid Metabolite Annotation
, Susanta Das, Kiyoto Aramis Tanemura, Laleh Dinpazhoh, Mithony Keng, Christina Schumm, Lydia Leahy, Carter K Asef, Markace Rainey, Arthur S. Edison, Facundo M. Fernández, Kenneth M. Merz, Jr.* J. Am. Soc. Mass Spectrom., 2022, 33, 750–759.
2021
Separations of Carbohydrates with Noncovalent Shift Reagents by Frequency-Modulated Ion Mobility-Orbitrap Mass Spectrometry
, Kristin R. McKenna, Brian H. Clowers, Ramanarayanan Krishnamurthy, Charles L. Liotta, Facundo M. Fernández, J. Am. Soc. Mass Spectrom. 2021, 32, 2472-2480
2020
Organic Acid Shift Reagents for the Discrimination of Carbohydrate Isobars by Ion Mobility-Mass Spectrometry
, Kristin R. McKenna, Li Li, Ramanarayanan Krishnamurthy, Charles L. Liotta and Facundo M. Fernández Analyst, 2020, 145,8008–8015
2020
Metabolite collision cross section prediction without energy-minimized structures
, M.T. Soper-Hopper, J. Vandegrift¥, E.S. Baker, and F. M. Fernández, Analyst, 2020, 145, 5414 - 5418
2019
Carbohydrate Isomer Resolution via Multi-site Derivatization Cyclic Ion Mobility-Mass Spectrometry
Kristin R. McKenna, Li Li, Andy Baker, Jakub Ujma, Ramanarayanan Krishnamurthy, Charles L. Liotta and Facundo M. Fernández. Analyst. 2019, 144, 7220-7226.
2018
Rapid Resolution of Carbohydrate Isomers via Multi-site Derivatization Ion Mobility-Mass Spectrometry
Li Li, Kristin R. McKenna, Zhao Li, Mahipal Yadav, Ramanarayanan Krishnamurthy, Charles L. Liotta, and Facundo M. Fernández. Analyst, 2018, 143, 949-955
2017
Collision cross section predictions using 2-dimensional molecular descriptors
, M.T. Soper-Hopper, A.S. Petrov, J.N. Howard, SS. Yu, J.G. Forsythe, M.A. Grover and F.M. Fernández*, Chem Comm. 2017, 53, 7624-7627
2017
Atmospheric Pressure Drift Tube Ion Mobility-Orbitrap Mass Spectrometry: Initial Performance Characterization.
Joel D. Keelor; Zambrzycki, S. C.; Li, A.; Clowers, B. H.; Fernández, F. M*, Anal. Chem., 2017, 89, 11301-11309
2014
An Effective Approach for Coupling Direct Analysis in Real Time with Atmospheric Pressure Drift Tube Ion Mobility Spectrometry
, Joel D. Keelor, Prabha Dwivedi, Facundo M. Fernández*. J. Am. Soc. Mass Spectrom., 2014, 25, 1538-1548
2012
Coupling Laser Ablation/Desorption Electrospray Ionization to Atmospheric Pressure Drift Tube Ion Mobility Spectrometry for the Screening of Antimalarial Drug Quality
, Glenn A. Harris, Stephan Graf, Richard Knochenmuss, Facundo M. Fernández*, Analyst, 2012, 137, 3039-3044.
2011
Direct Analysis in Real Time coupled to Multiplexed Drift Tube Ion Mobility Spectrometry (DART-DTIMS) for Detecting Toxic Chemicals
, Glenn A. Harris, Mark Kwasnik, and Facundo M. Fernández*, Anal. Chem., 2011, 83, 1908-1915.

+ 7 more in this area on the publications page.