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Structural Characterization of Drug-like Compounds by Ion Mobility Mass Spectrometry: Comparison of Theoretical and Experimentally Derived Nitrogen Collision Cross Sections
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Transport Properties of Ions in Gases
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Ion Mobility–Mass Spectrometry Reveals Long‐Lived, Unfolded Intermediates in the Dissociation of Protein Complexes
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Intrinsic Mobility of Gaseous Cationic and Anionic Aggregates of Ionic Liquids
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Applications of a travelling wave‐based radio‐frequency‐only stacked ring ion guide
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Evaluating the utility of ion mobility separation in combination with high‐pressure liquid chromatography/mass spectrometry to facilitate detection of trace impurities in formulated drug products
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Pharmaceutical metabolite profiling using quadrupole/ion mobility spectrometry/time‐of‐flight mass spectrometry
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Can density functional theory (DFT) be used as an aid to a deeper understanding of tandem mass spectrometric fragmentation pathways?
inferredcites →https://doi.org/10.1002/rcm.4285openalex-snapshot
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
inferredcites →https://doi.org/10.1002/rcm.4458openalex-snapshot
Using density functional theory to rationalise the mass spectral fragmentation of maraviroc and its metabolites
inferredcites →https://doi.org/10.1002/rcm.4742openalex-snapshot
Sites of metabolic substitution: investigating metabolite structures utilising ion mobility and molecular modelling
inferredcites →https://doi.org/10.1002/rcm.5013openalex-snapshot
Enhancements in travelling wave ion mobility resolution
inferredcites →https://doi.org/10.1002/rcm.5258openalex-snapshot
Product ion mobility as a promising tool for assignment of positional isomers of drug metabolites
inferredcites →https://doi.org/10.1016/0009-2614(96)00941-4openalex-snapshot
An exact hard-spheres scattering model for the mobilities of polyatomic ions
inferredcites →https://doi.org/10.1016/0168-1176(87)80005-8openalex-snapshot
Mobilities of several mass-identified positive and negative ions in air
inferredcites →https://doi.org/10.1016/j.chroma.2004.08.119openalex-snapshot
High-field asymmetric waveform ion mobility spectrometry: A new tool for mass spectrometry
inferredcites →https://doi.org/10.1016/j.ijms.2006.07.021openalex-snapshot
An investigation of the mobility separation of some peptide and protein ions using a new hybrid quadrupole/travelling wave IMS/oa-ToF instrument
inferredcites →https://doi.org/10.1016/j.ijms.2009.10.008openalex-snapshot
A method for direct measurement of ion mobilities using a travelling wave ion guide
inferredcites →https://doi.org/10.1016/j.ijms.2011.06.014openalex-snapshot
A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections (I). Method
inferredcites →https://doi.org/10.1016/j.jasms.2005.01.010openalex-snapshot
Separation of sodiated isobaric disaccharides and trisaccharides using electrospray ionization-atmospheric pressure ion mobility-time of flight mass spectrometry
inferredcites →https://doi.org/10.1016/j.jasms.2008.11.023openalex-snapshot
Probing hemoglobin structure by means of traveling-wave ion mobility mass spectrometry
inferredcites →https://doi.org/10.1016/j.jasms.2009.02.016openalex-snapshot
Isomer separation and gas-phase configurations of organoruthenium anticancer complexes: Ion mobility mass spectrometry and modeling
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Methodology for measuring conformation of solvent-disrupted protein subunits using T-WAVE ion mobility MS: An investigation into eukaryotic initiation factors
inferredcites →https://doi.org/10.1016/j.jasms.2010.02.012openalex-snapshot
Shape changes induced by N-terminal platination of ubiquitin by cisplatin
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Conformational studies of Zn-Ligand-Hexose diastereomers using ion mobility measurements and density functional theory calculations
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inferredcites →https://doi.org/10.1021/ac050278fopenalex-snapshot
Detection of a Chemical Warfare Agent Simulant in Various Aerosol Matrixes by Ion Mobility Time-of-Flight Mass Spectrometry
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Resolving Disulfide Structural Isoforms of IgG2 Monoclonal Antibodies by Ion Mobility Mass Spectrometry
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Collision Cross Sections of Proteins and Their Complexes: A Calibration Framework and Database for Gas-Phase Structural Biology
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Experimental and Theoretical Investigation into the Correlation between Mass and Ion Mobility for Choline and Other Ammonium Cations in N 2
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Gas-Phase Proton-Transfer Chemistry Coupled with TOF Mass Spectrometry and Ion Mobility-MS for the Facile Analysis of Poly(ethylene glycols) and PEGylated Polypeptide Conjugates
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Fundamentals of Traveling Wave Ion Mobility Spectrometry
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Structural Characterization of Phospholipids and Peptides Directly from Tissue Sections by MALDI Traveling-Wave Ion Mobility-Mass Spectrometry
inferredcites →https://doi.org/10.1021/ac990601copenalex-snapshot
Separation of Isomeric Peptides Using Electrospray Ionization/High-Resolution Ion Mobility Spectrometry
inferredcites →https://doi.org/10.1021/ac9908952openalex-snapshot
Using Different Drift Gases To Change Separation Factors (α) in Ion Mobility Spectrometry
inferredcites →https://doi.org/10.1021/ar700218qopenalex-snapshot
Subunit Architecture of Intact Protein Complexes from Mass Spectrometry and Homology Modeling
inferredcites →https://doi.org/10.1021/j100345a030openalex-snapshot
Effect of drift gas on mobility of ions
inferredcites →https://doi.org/10.1021/ja00051a040openalex-snapshot
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
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Naked Protein Conformations: Cytochrome c in the Gas Phase
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Mass-mobility correlation of ions in view of new mobility data
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AVERAGE CROSS-SECTIONAL AREAS OF MOLECULES BY GASEOUS DIFFUSION METHODS
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Diastereomer Assignment of an Olefin-Linked Bis-paracyclophane by Ion Mobility Mass Spectrometry
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Gas-Phase Conformation of Biological Molecules: Bradykinin
inferredcites →https://doi.org/10.1021/jp011421lopenalex-snapshot
Magic Number Clusters of Serine in the Gas Phase
inferredcites →https://doi.org/10.1021/jp020227bopenalex-snapshot
Noncovalent Interactions between Unsolvated Peptides
inferredcites →https://doi.org/10.1021/jp0492117openalex-snapshot
Electrospray Ionization Ion Mobility Spectrometry of Amino Acids: Ion Mobilities and a Mass−Mobility Correlation
inferredcites →https://doi.org/10.1021/jp051274hopenalex-snapshot
Electrospray Ionization Ion Mobility Spectrometry of Carboxylate Anions: Ion Mobilities and a Mass−Mobility Correlation
inferredcites →https://doi.org/10.1021/jp056158topenalex-snapshot
Ion−Neutral Potential Models in Atmospheric Pressure Ion Mobility Time-of-Flight Mass Spectrometry IM(tof)MS
inferredcites →https://doi.org/10.1021/jp102478kopenalex-snapshot
Evidence for a Quasi-Equilibrium Distribution of States for Bradykinin [M + 3H]3+ Ions in the Gas Phase
inferredcites →https://doi.org/10.1021/jp910858zopenalex-snapshot
Optimization of Parameters Used in Algorithms of Ion-Mobility Calculation for Conformational Analyses
inferredcites →https://doi.org/10.1021/jp961623vopenalex-snapshot
Structural Information from Ion Mobility Measurements: Effects of the Long-Range Potential
inferredcites →https://doi.org/10.1038/nchem.945openalex-snapshot
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inferredcites →https://doi.org/10.1038/nchem.947openalex-snapshot
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inferredcites →https://doi.org/10.1038/nprot.2008.78openalex-snapshot
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inferredcites →https://doi.org/10.1039/c0an00987copenalex-snapshot
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inferredcites →https://doi.org/10.1039/c0cp01414aopenalex-snapshot
Structural resolution of carbohydrate positional and structural isomers based on gas-phase ion mobility-mass spectrometry
inferredcites →https://doi.org/10.1039/c1an15450hopenalex-snapshot
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inferredcites →https://doi.org/10.1063/1.3592661openalex-snapshot
Structure and hydration of the C4H4•+ ion formed by electron impact ionization of acetylene clusters
inferredcites →https://doi.org/10.1063/1.460783openalex-snapshot
Structures of carbon cluster ions from 3 to 60 atoms: Linears to rings to fullerenes
inferredcites →https://doi.org/10.1063/1.475625openalex-snapshot
Mobilities of carbon cluster ions: Critical importance of the molecular attractive potential
inferredcites →https://doi.org/10.1073/pnas.0913046107openalex-snapshot
Elongated oligomers in β 2 -microglobulin amyloid assembly revealed by ion mobility spectrometry-mass spectrometry
inferredcites →https://doi.org/10.1126/science.1120177openalex-snapshot
Evidence for Macromolecular Protein Rings in the Absence of Bulk Water
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The Role of Mass Spectrometry in Structure Elucidation of Dynamic Protein Complexes
inferredcites →https://doi.org/10.2116/analsci.25.985openalex-snapshot
Isomeric Oligosaccharides Analyses Using Negative-ion Electrospray Ionization Ion Mobility Spectrometry Combined with Collision-induced Dissociation MS/MS
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Gas‐Phase Characterization of Hypervalent Carbon Compounds Bearing 7‐6‐7‐Ring Skeleton: Penta‐ versus Tetra‐Coordinate Isomers
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Effectiveness and Limitations of Computational Chemistry and Mass Spectrometry in the Rational Design of Target‐specific Shift Reagents for Ion Mobility Spectrometry
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Chemical Processes Involving 18‐Crown‐6‐Ether in Activated Noncovalent Complexes with Protonated Peptides
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Real‐Time Reaction Monitoring of an Organic Multistep Reaction by Electrospray Ionization‐Ion Mobility Spectrometry
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Complementing the characterization of in vivo generated N ‐glucuronic acid conjugates of stanozolol by collision cross section computation and analysis
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Understanding the Structure of Protonated Box Ligands: Insights from Spectroscopy and Computational Studies
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Structural Elucidation of β‐Lactam Diastereoisomers through Ion Mobility Mass Spectrometry Studies and Theoretical Calculations
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Recommendations for reporting ion mobility Mass Spectrometry measurements
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Structural studies of supramolecular complexes and assemblies by ion mobility mass spectrometry
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Mass spectrometry and ion mobility study of poly(ethylene glycol)‐based polyurethane oligomers
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Model calculation for ion mobility in air using the MOBCAL program
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Anomerization of Acrylated Glucose During Traveling Wave Ion Mobility Spectrometry
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Distinct Fragmentation Pathways of Anticancer Drugs Induced by Charge-Carrying Cations in the Gas Phase
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Collidoscope: An Improved Tool for Computing Collisional Cross-Sections with the Trajectory Method
inferred← citeshttps://doi.org/10.1007/s13361-017-1605-3openalex-snapshot
Molecular Structures and Momentum Transfer Cross Sections: The Influence of the Analyte Charge Distribution
inferred← citeshttps://doi.org/10.1007/s13361-017-1661-8openalex-snapshot
Benchmark Comparison for a Multi-Processing Ion Mobility Calculator in the Free Molecular Regime
inferred← citeshttps://doi.org/10.1007/s13361-017-1673-4openalex-snapshot
Investigating Differences in Gas-Phase Conformations of 25-Hydroxyvitamin D3 Sodiated Epimers using Ion Mobility-Mass Spectrometry and Theoretical Modeling
inferred← citeshttps://doi.org/10.1007/s13361-017-1720-1openalex-snapshot
Determination of Collision Cross Sections Using a Fourier Transform Electrostatic Linear Ion Trap Mass Spectrometer
inferred← citeshttps://doi.org/10.1007/s13361-017-1749-1openalex-snapshot
Effective Ion Mobility Peak Width as a New Isomeric Descriptor for the Untargeted Analysis of Complex Mixtures Using Ion Mobility-Mass Spectrometry
inferred← citeshttps://doi.org/10.1007/s13361-017-1762-4openalex-snapshot
Polymers for Traveling Wave Ion Mobility Spectrometry Calibration
inferred← citeshttps://doi.org/10.1007/s13361-017-1863-0openalex-snapshot
Numerical Simulation of Ion Transport in a Nano-Electrospray Ion Source at Atmospheric Pressure
inferred← citeshttps://doi.org/10.1007/s13361-018-2085-9openalex-snapshot
Application of Group I Metal Adduction to the Separation of Steroids by Traveling Wave Ion Mobility Spectrometry
inferred← citeshttps://doi.org/10.1007/s13361-019-02151-4openalex-snapshot
Evaluating Separation Selectivity and Collision Cross Section Measurement Reproducibility in Helium, Nitrogen, Argon, and Carbon Dioxide Drift Gases for Drift Tube Ion Mobility–Mass Spectrometry
inferred← citeshttps://doi.org/10.1007/s13361-019-02340-1openalex-snapshot
A First Principle Model of Differential Ion Mobility: the Effect of Ion-Solvent Clustering
inferred← citeshttps://doi.org/10.1007/s41664-017-0004-xopenalex-snapshot
A Powerful Four-Dimensional Separation Method for Complex Samples
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12595-8openalex-snapshot
Analysis of Metallosupramolecular Assemblies Using Advanced Mass Spectrometry Techniques
inferred← citeshttps://doi.org/10.1016/b978-0-443-29786-1.00005-6openalex-snapshot
Transporting and separating ions in gas-filled channels
inferred← citeshttps://doi.org/10.1016/bs.coac.2016.01.002openalex-snapshot
Advances in Time-of-Flight Mass Spectrometry
inferred← citeshttps://doi.org/10.1016/bs.coac.2018.08.001openalex-snapshot
Modelling Collisional Cross Sections
inferred← citeshttps://doi.org/10.1016/bs.coac.2018.10.001openalex-snapshot
Ion Mobility in Structural Biology
inferred← citeshttps://doi.org/10.1016/bs.coac.2018.10.002openalex-snapshot
Dynamic Clustering and Ion Microsolvation
inferred← citeshttps://doi.org/10.1016/bs.coac.2018.11.001openalex-snapshot
Ion Mobility-Mass Spectrometry in Metabolomic, Lipidomic, and Proteomic Analyses
inferred← citeshttps://doi.org/10.1016/j.aca.2016.04.020openalex-snapshot
Collision cross section prediction of deprotonated phenolics in a travelling-wave ion mobility spectrometer using molecular descriptors and chemometrics
inferred← citeshttps://doi.org/10.1016/j.aca.2016.07.031openalex-snapshot
Determination of ion mobility collision cross sections for unresolved isomeric mixtures using tandem mass spectrometry and chemometric deconvolution
inferred← citeshttps://doi.org/10.1016/j.aca.2021.338270openalex-snapshot
Determination of drugs and drug metabolites by ion mobility-mass spectrometry: A review
inferred← citeshttps://doi.org/10.1016/j.aca.2021.339019openalex-snapshot
Predicting ion mobility as a function of the electric field for small ions in light gases
inferred← citeshttps://doi.org/10.1016/j.aca.2022.340236openalex-snapshot
A re-calibration procedure for interoperable lipid collision cross section values measured by traveling wave ion mobility spectrometry
inferred← citeshttps://doi.org/10.1016/j.aca.2022.340361openalex-snapshot
Revealing the differences in collision cross section values of small organic molecules acquired by different instrumental designs and prediction models
inferred← citeshttps://doi.org/10.1016/j.aca.2024.342535openalex-snapshot
Interplatform comparison between three ion mobility techniques for human plasma lipid collision cross sections
inferred← citeshttps://doi.org/10.1016/j.arabjc.2023.104718openalex-snapshot
Precise analysis of thyroxine enantiomers in pharmaceutical formulation by mobility difference based on cyclodextrin
inferred← citeshttps://doi.org/10.1016/j.bbagen.2016.02.003openalex-snapshot
Applications of ion mobility mass spectrometry for high throughput, high resolution glycan analysis
inferred← citeshttps://doi.org/10.1016/j.bbapap.2021.140697openalex-snapshot
Current status and future prospects for ion-mobility mass spectrometry in the biopharmaceutical industry
inferred← citeshttps://doi.org/10.1016/j.cbpa.2017.10.015openalex-snapshot
The potential of ion mobility–mass spectrometry for non-targeted metabolomics
inferred← citeshttps://doi.org/10.1016/j.cbpa.2017.10.022openalex-snapshot
Fundamentals of ion mobility spectrometry
inferred← citeshttps://doi.org/10.1016/j.cbpa.2017.11.008openalex-snapshot
Ion mobility in the pharmaceutical industry: an established biophysical technique or still niche?
inferred← citeshttps://doi.org/10.1016/j.cbpa.2017.11.012openalex-snapshot
Bridging the structural gap of glycoproteomics with ion mobility spectrometry
inferred← citeshttps://doi.org/10.1016/j.cplett.2019.137065openalex-snapshot
Near-infrared reversible photoswitching of an isolated azobenzene-stilbene dye
inferred← citeshttps://doi.org/10.1016/j.cplett.2022.139510openalex-snapshot
Structures of dibenzo-24-crown-8 complex with an NH4+ ion studied by cryogenic ion mobility-mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.cplett.2023.140717openalex-snapshot
Structural elucidation of C5H7+ derived from 3-methyl-1,4-pentadiene using ion-mobility spectrometry
inferred← citeshttps://doi.org/10.1016/j.ejmech.2018.08.084openalex-snapshot
Rationally designed divalent caffeic amides inhibit amyloid-β fibrillization, induce fibril dissociation, and ameliorate cytotoxicity
inferred← citeshttps://doi.org/10.1016/j.foodchem.2017.11.113openalex-snapshot
High resolution-ion mobility mass spectrometry as an additional powerful tool for structural characterization of mycotoxin metabolites
inferred← citeshttps://doi.org/10.1016/j.icarus.2020.113627openalex-snapshot
Structural elucidation of soluble organic matter: Application to Titan's haze
inferred← citeshttps://doi.org/10.1016/j.ijms.2012.09.005openalex-snapshot
Amphitrite: A program for processing travelling wave ion mobility mass spectrometry data
inferred← citeshttps://doi.org/10.1016/j.ijms.2015.09.008openalex-snapshot
Low energy CID and action IRMPD provide insights into a minor subpopulation of the gas-phase conformers of triply charged bradykinin
inferred← citeshttps://doi.org/10.1016/j.ijms.2016.02.013openalex-snapshot
Differentiation of gonyautoxins by ion mobility–mass spectrometry: A cationization study
inferred← citeshttps://doi.org/10.1016/j.ijms.2016.10.018openalex-snapshot
Isomeric separation of cannabinoids by UPLC combined with ionic mobility mass spectrometry (TWIM-MS)—Part I
inferred← citeshttps://doi.org/10.1016/j.ijms.2017.03.008openalex-snapshot
Ion mobility spectrometry reveals intermediate states in temperature-resolved DNA unfolding
inferred← citeshttps://doi.org/10.1016/j.ijms.2017.11.009openalex-snapshot
Discovery and targeted monitoring of polychlorinated biphenyl metabolites in blood plasma using LC-TIMS-TOF MS
inferred← citeshttps://doi.org/10.1016/j.ijms.2018.03.007openalex-snapshot
Fundamentals of travelling wave ion mobility revisited: I. Smoothly moving waves
inferred← citeshttps://doi.org/10.1016/j.ijms.2018.05.013openalex-snapshot
Cation-dependent conformations in 25-hydroxyvitamin D3-cation adducts measured by ion mobility-mass spectrometry and theoretical modeling
inferred← citeshttps://doi.org/10.1016/j.ijms.2018.10.016openalex-snapshot
Silver ion induced folding of alkylamines observed by ion mobility experiments
inferred← citeshttps://doi.org/10.1016/j.ijms.2018.10.036openalex-snapshot
Structural characterization of synthetic peptides using electrospray ion mobility spectrometry and molecular dynamics simulations
inferred← citeshttps://doi.org/10.1016/j.ijms.2020.116512openalex-snapshot
Gas-phase study of adduct and exchange complexation reactions between two and tridimensional macrocyclic ligands using ion mobility spectrometry and mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.ijms.2021.116719openalex-snapshot
A perspective on the theoretical and numerical aspects of Ion Mobility Spectrometry
inferred← citeshttps://doi.org/10.1016/j.ijms.2023.117097openalex-snapshot
Axial and radial space-charge effects in radiofrequency gas-filled low-pressure quadrupole ion guides
inferred← citeshttps://doi.org/10.1016/j.ijms.2025.117458openalex-snapshot
Effect of the Tyr5 and His6 substituent groups on the zinc affinities and conformational structures of the acetyl-His1-Cys2-Gly3-Pro4-X5-X6-Cys7 heptapeptides
inferred← citeshttps://doi.org/10.1016/j.jaerosci.2020.105570openalex-snapshot
A parallelized tool to calculate the electrical mobility of charged aerosol nanoparticles and ions in the gas phase
inferred← citeshttps://doi.org/10.1016/j.jaerosci.2020.105659openalex-snapshot
The size-mobility relationship of ions, aerosols, and other charged particle matter.
inferred← citeshttps://doi.org/10.1016/j.jaerosci.2022.106122openalex-snapshot
A numerical tool to calculate ion mobility at arbitrary fields from all-atom models
inferred← citeshttps://doi.org/10.1016/j.jaerosci.2024.106353openalex-snapshot
On the dependence of electrical mobility on temperature, humidity and structure of alkylammonium ions
inferred← citeshttps://doi.org/10.1016/j.jchromb.2019.121941openalex-snapshot
Liquid chromatography-ion mobility spectrometry-mass spectrometry analysis of multiple classes of steroid hormone isomers in a mixture
inferred← citeshttps://doi.org/10.1016/j.jchromb.2021.122554openalex-snapshot
Bioanalysis of erlotinib, its O-demethylated metabolites OSI-413 and OSI-420, and other metabolites by liquid chromatography-tandem mass spectrometry with additional ion mobility identification
inferred← citeshttps://doi.org/10.1016/j.jcp.2013.05.038openalex-snapshot
Free molecular collision cross section calculation methods for nanoparticles and complex ions with energy accommodation
inferred← citeshttps://doi.org/10.1016/j.jpdc.2024.104902openalex-snapshot
Ion-molecule collision cross-section calculations using trajectory parallelization in distributed systems
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2021.102226openalex-snapshot
Assessing collision cross section calculations using MobCal-MPI with a variety of commonly used computational methods
inferred← citeshttps://doi.org/10.1016/j.steroids.2019.108531openalex-snapshot
Steroid analysis by ion mobility spectrometry
inferred← citeshttps://doi.org/10.1016/j.talanta.2017.07.090openalex-snapshot
Stabilization of gas-phase uranyl complexes enables rapid speciation using electrospray ionization and ion mobility-mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.talanta.2018.02.077openalex-snapshot
Analysis of isomeric opioids in urine using LC-TIMS-TOF MS
inferred← citeshttps://doi.org/10.1016/j.talanta.2018.03.030openalex-snapshot
Stability of proton-bound clusters of alkyl alcohols, aldehydes and ketones in Ion Mobility Spectrometry
inferred← citeshttps://doi.org/10.1016/j.talanta.2018.04.003openalex-snapshot
Gas-phase complexation of α-/β-cyclodextrin with amino acids studied by ion mobility-mass spectrometry and molecular dynamics simulations
inferred← citeshttps://doi.org/10.1016/j.talo.2023.100191openalex-snapshot
A critical review of the two-temperature theory and the derivation of matrix elements. High field ion mobility and energy calculation for all-atom structures in light gases using a 12-6-4 potential
inferred← citeshttps://doi.org/10.1016/j.teac.2024.e00239openalex-snapshot
Ion mobility separation coupled to high-resolution mass spectrometry in environmental analysis – Current state and future potential
inferred← citeshttps://doi.org/10.1016/j.tifs.2024.104446openalex-snapshot
Ions on the move: The combination of ion mobility and food metabolomics
inferred← citeshttps://doi.org/10.1016/j.trac.2017.07.006openalex-snapshot
Current applications and perspectives of ion mobility spectrometry to answer chemical food safety issues
inferred← citeshttps://doi.org/10.1016/j.trac.2019.115620openalex-snapshot
Historical, current and future developments of travelling wave ion mobility mass spectrometry: A personal perspective
inferred← citeshttps://doi.org/10.1016/j.trac.2019.115686openalex-snapshot
Mass spectrometry-based structure elucidation of small molecule impurities and degradation products in pharmaceutical development
inferred← citeshttps://doi.org/10.1016/j.trac.2021.116188openalex-snapshot
Data processing strategies for non-targeted analysis of foods using liquid chromatography/high-resolution mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.trac.2022.116761openalex-snapshot
High-end ion mobility mass spectrometry: A current review of analytical capacity in omics applications and structural investigations
inferred← citeshttps://doi.org/10.1021/ac301260dopenalex-snapshot
Effects of Drift Gas on Collision Cross Sections of a Protein Standard in Linear Drift Tube and Traveling Wave Ion Mobility Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/ac3014498openalex-snapshot
Ion Mobility Mass Spectrometry of Peptide Ions: Effects of Drift Gas and Calibration Strategies
inferred← citeshttps://doi.org/10.1021/ac302048xopenalex-snapshot
MolFind: A Software Package Enabling HPLC/MS-Based Identification of Unknown Chemical Structures
inferred← citeshttps://doi.org/10.1021/ac3032417openalex-snapshot
Continuous Flow Ion Mobility Separation with Mass Spectrometric Detection Using a Nano-Radial Differential Mobility Analyzer at Low Flow Rates
inferred← citeshttps://doi.org/10.1021/ac403139dopenalex-snapshot
Effects of Polarity on the Structures and Charge States of Native-Like Proteins and Protein Complexes in the Gas Phase
inferred← citeshttps://doi.org/10.1021/ac4038448openalex-snapshot
Conformational Ordering of Biomolecules in the Gas Phase: Nitrogen Collision Cross Sections Measured on a Prototype High Resolution Drift Tube Ion Mobility-Mass Spectrometer
inferred← citeshttps://doi.org/10.1021/ac5001652openalex-snapshot
Structural Characterization of Methylenedianiline Regioisomers by Ion Mobility-Mass Spectrometry, Tandem Mass Spectrometry, and Computational Strategies: I. Electrospray Spectra of 2-Ring Isomers
inferred← citeshttps://doi.org/10.1021/ac500405xopenalex-snapshot
Ion Mobility Derived Collision Cross Sections to Support Metabolomics Applications
inferred← citeshttps://doi.org/10.1021/ac5023666openalex-snapshot
Flavin Adenine Dinucleotide Structural Motifs: From Solution to Gas Phase
inferred← citeshttps://doi.org/10.1021/ac502676dopenalex-snapshot
Unambiguous Characterization of Analytical Markers in Complex, Seized Opiate Samples Using an Enhanced Ion Mobility Trace Detector-Mass Spectrometer
inferred← citeshttps://doi.org/10.1021/ac5043285openalex-snapshot
Structural Resolution of 4-Substituted Proline Diastereomers with Ion Mobility Spectrometry via Alkali Metal Ion Cationization
inferred← citeshttps://doi.org/10.1021/ac504720mopenalex-snapshot
Ion Mobility-Mass Spectrometry: Time-Dispersive Instrumentation
inferred← citeshttps://doi.org/10.1021/ac504866vopenalex-snapshot
Targeted High-Resolution Ion Mobility Separation Coupled to Ultrahigh-Resolution Mass Spectrometry of Endocrine Disruptors in Complex Mixtures
inferred← citeshttps://doi.org/10.1021/acs.analchem.0c00357openalex-snapshot
Characterization of Steroids through Collision Cross Sections: Contribution of Quantum Chemistry Calculations
inferred← citeshttps://doi.org/10.1021/acs.analchem.0c04341openalex-snapshot
Exploring the Impacts of Conformer Selection Methods on Ion Mobility Collision Cross Section Predictions
inferred← citeshttps://doi.org/10.1021/acs.analchem.0c04525openalex-snapshot
Comprehensive Screening of Polycyclic Aromatic Hydrocarbons and Similar Compounds Using GC–APLI–TIMS–TOFMS/GC–EI–MS
inferred← citeshttps://doi.org/10.1021/acs.analchem.1c01333openalex-snapshot
Modular Ion Mobility Calibrants for Organometallic Anions Based on Tetraorganylborate Salts
inferred← citeshttps://doi.org/10.1021/acs.analchem.1c03892openalex-snapshot
Molecular Basis for the Remarkably Different Gas-Phase Behavior of Deprotonated Thyroid Hormones Triiodothyronine (T3) and Reverse Triiodothyronine (rT3): A Clue for Their Discrimination?
inferred← citeshttps://doi.org/10.1021/acs.analchem.1c04700openalex-snapshot
A Miniature Multilevel Structures for Lossless Ion Manipulations Ion Mobility Spectrometer with Wide Mobility Range Separation Capabilities
inferred← citeshttps://doi.org/10.1021/acs.analchem.2c03491openalex-snapshot
CCS Predictor 2.0: An Open-Source Jupyter Notebook Tool for Filtering Out False Positives in Metabolomics
inferred← citeshttps://doi.org/10.1021/acs.analchem.2c05076openalex-snapshot
Noncovalent Host–Guest Complexes of Artemisinin with α-, β-, and γ- Cyclodextrin Examined by Structural Mass Spectrometry Strategies
inferred← citeshttps://doi.org/10.1021/acs.analchem.3c04290openalex-snapshot
MOCCal: A Multiomic CCS Calibrator for Traveling Wave Ion Mobility Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.analchem.3c05879openalex-snapshot
Ultrafast, Selective, and Highly Sensitive Nonchromatographic Analysis of Fourteen Cannabinoids in Cannabis Extracts, Δ8-Tetrahydrocannabinol Synthetic Mixtures, and Edibles by Cyclic Ion Mobility Spectrometry–Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.analchem.4c00099openalex-snapshot
Exploring the Conformational Landscape of Poly( l -lysine) Dendrimers Using Ion Mobility Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.analchem.4c05246openalex-snapshot
Utilization of Liquid Chromatography–Mass Spectrometry and High-Resolution Ion Mobility–Mass Spectrometry to Characterize Therapeutically Relevant Peptides with Asparagine Deamidation and Isoaspartate
inferred← citeshttps://doi.org/10.1021/acs.analchem.5b01084openalex-snapshot
Structural Characterization of Methylenedianiline Regioisomers by Ion Mobility-Mass Spectrometry, Tandem Mass Spectrometry, and Computational Strategies. 2. Electrospray Spectra of 3-Ring and 4-Ring Isomers
inferred← citeshttps://doi.org/10.1021/acs.analchem.5b01985openalex-snapshot
Effect of Adduct Formation with Molecular Nitrogen on the Measured Collisional Cross Sections of Transition Metal–1,10-Phenanthroline Complexes in Traveling Wave Ion-Mobility Spectrometry: N2 Is Not Always an “Inert” Buffer Gas
inferred← citeshttps://doi.org/10.1021/acs.analchem.5b04068openalex-snapshot
Elucidation of Drug Metabolite Structural Isomers Using Molecular Modeling Coupled with Ion Mobility Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.analchem.5b04280openalex-snapshot
Multidimensional Analysis of 16 Glucose Isomers by Ion Mobility Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.analchem.5c06302openalex-snapshot
Identification of Glycosylated and Prenylated (Iso)flavonoids Using cIMS-MS
inferred← citeshttps://doi.org/10.1021/acs.analchem.5c07928openalex-snapshot
Fluorination Using PFAS Reagents Generated by Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.analchem.6b01728openalex-snapshot
Evaluation of Collision Cross Section Calibrants for Structural Analysis of Lipids by Traveling Wave Ion Mobility-Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.analchem.6b03091openalex-snapshot
Large-Scale Prediction of Collision Cross-Section Values for Metabolites in Ion Mobility-Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.analchem.6b04605openalex-snapshot
Effects of Drift Gas Selection on the Ambient-Temperature, Ion Mobility Mass Spectrometry Analysis of Amino Acids
inferred← citeshttps://doi.org/10.1021/acs.analchem.6b04905openalex-snapshot
Ion Mobility Collision Cross Section Compendium
inferred← citeshttps://doi.org/10.1021/acs.analchem.6b04998openalex-snapshot
Bottom-Up Elucidation of Glycosidic Bond Stereochemistry
inferred← citeshttps://doi.org/10.1021/acs.analchem.7b00469openalex-snapshot
Ion Separation in Air Using a Three-Dimensional Printed Ion Mobility Spectrometer
inferred← citeshttps://doi.org/10.1021/acs.analchem.7b01709openalex-snapshot
Large-Scale Structural Characterization of Drug and Drug-Like Compounds by High-Throughput Ion Mobility-Mass Spectrometry
inferred← citeshttps://doi.org/10.1021/acs.analchem.7b02133openalex-snapshot
Structural Characterization of Methylenedianiline Regioisomers by Ion Mobility-Mass Spectrometry, Tandem Mass Spectrometry, and Computational Strategies. 3. MALDI Spectra of 2-Ring Isomers
inferred← citeshttps://doi.org/10.1021/acs.analchem.7b02625openalex-snapshot
LipidCCS: Prediction of Collision Cross-Section Values for Lipids with High Precision To Support Ion Mobility–Mass Spectrometry-Based Lipidomics
inferred← citeshttps://doi.org/10.1021/acs.analchem.7b05117openalex-snapshot
Collision Cross Section (CCS) Database: An Additional Measure to Characterize Steroids
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