How useful is molecular modelling in combination with ion mobility mass spectrometry for ‘small molecule’ ion mobility collision cross-sections?

Identification and separation of saxitoxins using hydrophilic interaction liquid chromatography coupled to traveling wave ion mobility-mass spectrometry

(2015) Salomé Poyer et al.   JOURNAL OF MASS SPECTROMETRY

Structural Elucidation of Specific Noncovalent Association of Folic Acid with Native Cyclodextrins Using an Ion Mobility Mass Spectrometry and Theoretical Approach

(2014) Magdalena Zimnicka et al.   ANALYTICAL CHEMISTRY

Ion Mobility Derived Collision Cross Sections to Support Metabolomics Applications

(2014) Giuseppe Paglia et al.   ANALYTICAL CHEMISTRY

Traveling Wave Ion Mobility Mass Spectrometry and Ab Initio Calculations of Phosphoric Acid Clusters

(2014) Hélène Lavanant et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Predicting collision-induced dissociation spectra: Semi-empirical calculations as a rapid and effective tool in software-aided mass spectral interpretation

(2014) Patricia Wright et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

A study of the spiropyran–merocyanine system using ion mobility-mass spectrometry: experimental support for the cisoid conformation

(2013) Robert A. Rogers et al.   CHEMICAL COMMUNICATIONS

Separation of steroid isomers by ion mobility mass spectrometry

(2013) Linda Ahonen et al.   JOURNAL OF CHROMATOGRAPHY A

Protomers: formation, separation and characterization via travelling wave ion mobility mass spectrometry

(2012) Priscila M. Lalli et al.   JOURNAL OF MASS SPECTROMETRY

Corrole isomers: intrinsic gas-phase shapes via traveling wave ion mobility mass spectrometry and dissociation chemistries via tandem mass spectrometry

(2012) Maíra Fasciotti et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Structural Characterization of Drug-like Compounds by Ion Mobility Mass Spectrometry: Comparison of Theoretical and Experimentally Derived Nitrogen Collision Cross Sections

(2011) Iain Campuzano et al.   ANALYTICAL CHEMISTRY

Design, Synthesis, and Traveling Wave Ion Mobility Mass Spectrometry Characterization of Iron(II)– and Ruthenium(II)–Terpyridine Metallomacrocycles

(2011) Yi-Tsu Chan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Product ion mobility as a promising tool for assignment of positional isomers of drug metabolites

(2011) Filip Cuyckens et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

How useful is ion mobility mass spectrometry for structural biology? The relationship between protein crystal structures and their collision cross sections in the gas phase

(2010) Ewa Jurneczko et al.   ANALYST

Sites of metabolic substitution: investigating metabolite structures utilising ion mobility and molecular modelling

(2010) Gordon J. Dear et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Considerations in experimental and theoretical collision cross-section measurements of small molecules using travelling wave ion mobility spectrometry-mass spectrometry

(2009) Tom W. Knapman et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Use of ion mobility mass spectrometry and a collision cross-section algorithm to study an organometallic ruthenium anticancer complex and its adducts with a DNA oligonucleotide

(2009) Jonathan P. Williams et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Enhanced carbohydrate structural selectivity in ion mobility-mass spectrometry analyses by boronic acid derivatization

(2008) Larissa S. Fenn et al.   CHEMICAL COMMUNICATIONS