Determination of drugs and drug metabolites by ion mobility-mass spectrometry: A review

Breaking Down Structural Diversity for Comprehensive Prediction of Ion-Neutral Collision Cross Sections

(2020) Dylan H. Ross et al.   ANALYTICAL CHEMISTRY

Trapped ion mobility spectrometry and PASEF enable in-depth lipidomics from minimal sample amounts

(2020) Catherine G. Vasilopoulou et al.   Nature Communications

Interlaboratory and Interplatform Study of Steroids Collision Cross Section by Traveling Wave Ion Mobility Spectrometry

(2020) Maykel Hernández-Mesa et al.   ANALYTICAL CHEMISTRY

Resolution of Isomeric Mixtures in Ion Mobility Using a Combined Demultiplexing and Peak Deconvolution Technique

(2020) Jody C. May et al.   ANALYTICAL CHEMISTRY

A lipidome atlas in MS-DIAL 4

(2020) Hiroshi Tsugawa et al.   NATURE BIOTECHNOLOGY

Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics

(2020) Zhiwei Zhou et al.   Nature Communications

Recommendations for reporting ion mobility Mass Spectrometry measurements

(2019) Valérie Gabelica et al.   MASS SPECTROMETRY REVIEWS

An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications

(2019) Maral Aminpour et al.   MOLECULES

Characterization of the Impact of Drug Metabolism on the Gas-Phase Structures of Drugs Using Ion Mobility-Mass Spectrometry

(2019) Dylan H. Ross et al.   ANALYTICAL CHEMISTRY

A Transferable, Sample-Independent Calibration Procedure for Trapped Ion Mobility Spectrometry (TIMS)

(2018) Mengqi Chai et al.   ANALYTICAL CHEMISTRY

Ion mobility derived collision cross section as an additional measure to support the rapid analysis of abused drugs and toxic compounds using electrospray ion mobility time-of-flight mass spectrometry

(2018) Ru Lian et al.   Analytical Methods

Ion mobility in the pharmaceutical industry: an established biophysical technique or still niche?

(2018) Iain DG Campuzano et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Prediction of collision cross section and retention time for broad scope screening in gradient reversed-phase liquid chromatography-ion mobility-high resolution accurate mass spectrometry

(2018) Christian Brinch Mollerup et al.   JOURNAL OF CHROMATOGRAPHY A

High performance collision cross section calculation-HPCCS

(2018) Leandro Zanotto et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mass spectrometry in drug metabolism and pharmacokinetics: current trends and future perspectives

(2018) Filip Cuyckens   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Collision cross section (CCS) as a complementary parameter to characterize human and veterinary drugs

(2018) Carmen Tejada-Casado et al.   ANALYTICA CHIMICA ACTA

Investigations into the Performance of Travelling Wave‐Enabled Conventional and Cyclic Ion Mobility Systems to Characterise Protomers of Fluoroquinolone Antibiotic Residues

(2018) Michael McCullagh et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Collidoscope: An Improved Tool for Computing Collisional Cross-Sections with the Trajectory Method

(2017) Simon A. Ewing et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Combining density functional theory (DFT) and collision cross-section (CCS) calculations to analyze the gas-phase behaviour of small molecules and their protonation site isomers

(2016) Jasper Boschmans et al.   ANALYST

Large-Scale Prediction of Collision Cross-Section Values for Metabolites in Ion Mobility-Mass Spectrometry

(2016) Zhiwei Zhou et al.   ANALYTICAL CHEMISTRY

Elucidation of Drug Metabolite Structural Isomers Using Molecular Modeling Coupled with Ion Mobility Mass Spectrometry

(2016) Eamonn Reading et al.   ANALYTICAL CHEMISTRY

Evaluation of Collision Cross Section Calibrants for Structural Analysis of Lipids by Traveling Wave Ion Mobility-Mass Spectrometry

(2016) Kelly M. Hines et al.   ANALYTICAL CHEMISTRY

Shift reagents in ion mobility spectrometry: the effect of the number of interaction sites, size and interaction energies on the mobilities of valinol and ethanolamine

(2016) Roberto Fernández-Maestre et al.   JOURNAL OF MASS SPECTROMETRY

Resolving powers of >7900 using linked scans: how well does resolving power describe the separation capability of differential ion mobility spectrometry

(2015) Brandon G. Santiago et al.   ANALYST

Ion Mobility-Mass Spectrometry: Time-Dispersive Instrumentation

(2015) Jody C. May et al.   ANALYTICAL CHEMISTRY

Applications of mass spectrometry in drug metabolism: 50 years of progress

(2015) Bo Wen et al.   DRUG METABOLISM REVIEWS

Protomers of Benzocaine: Solvent and Permittivity Dependence

(2015) Stephan Warnke et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer

(2014) Jody C. May et al.   ANALYTICAL CHEMISTRY

Collision cross section calculations for polyatomic ions considering rotating diatomic/linear gas molecules

(2014) Carlos Larriba-Andaluz et al.   JOURNAL OF CHEMICAL PHYSICS

Application of ion mobility spectrometry for the determination of tramadol in biological samples

(2014) Ali Sheibani et al.   JOURNAL OF FOOD AND DRUG ANALYSIS

Ion Mobilities in Diatomic Gases: Measurement versus Prediction with Non-Specular Scattering Models

(2013) Carlos Larriba et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cytochrome P450 enzymes in drug metabolism: Regulation of gene expression, enzyme activities, and impact of genetic variation

(2013) Ulrich M. Zanger et al.   PHARMACOLOGY & THERAPEUTICS

Can ion mobility mass spectrometry and density functional theory help elucidate protonation sites in 'small' molecules?

(2013) Cris Lapthorn et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Glutathione transferases, regulators of cellular metabolism and physiology

(2012) Philip G. Board et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

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

Multiplexed analysis of peptide functionality using lanthanide-based structural shift reagents

(2011) Thomas J. Kerr et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (I). Method

(2011) Christian Bleiholder et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Drug Metabolite Profiling and Identification by High-resolution Mass Spectrometry

(2011) Mingshe Zhu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

High-Resolution Differential Ion Mobility Separations Using Helium-Rich Gases

(2010) Alexandre A. Shvartsburg et al.   ANALYTICAL CHEMISTRY

Reliability of ion mobility spectrometry for qualitative analysis of complex, multicomponent illicit drug samples

(2010) Jennifer R. Verkouteren et al.   FORENSIC SCIENCE INTERNATIONAL

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

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

Metabolite identification by liquid chromatography-mass spectrometry

(2010) Bhagwat Prasad et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Characterizing ion mobility-mass spectrometry conformation space for the analysis of complex biological samples

(2009) Larissa S. Fenn et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry

(2009) Haiying Zhang et al.   JOURNAL OF MASS SPECTROMETRY

Are liquid chromatography/electrospray tandem quadrupole fragmentation ratios unequivocal confirmation criteria?

(2009) Anton Kaufmann et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Ion mobility-mass spectrometry

(2008) Abu B. Kanu et al.   JOURNAL OF MASS SPECTROMETRY