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https://doi.org/10.2139/ssrn.4646924
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jms.3245openalex-extracted
Baseline resolution of isomers by traveling wave ion mobility mass spectrometry: investigating the effects of polarizable drift gases and ionic charge distribution
inferredcites →https://doi.org/10.1002/jssc.201700919openalex-extracted
Adding a new separation dimension to MS and LC–MS: What is the utility of ion mobility spectrometry?
inferredcites →https://doi.org/10.1002/pca.2825openalex-extracted
Use of ion mobility mass spectrometry to enhance cumulative analytical specificity and separation to profile 6‐ C /8‐ C‐ glycosylflavone critical isomer pairs and known–unknowns in medicinal plants
inferredcites →https://doi.org/10.1002/pmic.201500500openalex-extracted
Advances in quadrupole and time‐of‐flight mass spectrometry for peptide MRM based translational research analysis
inferredcites →https://doi.org/10.1002/rcm.3959openalex-extracted
Are liquid chromatography/electrospray tandem quadrupole fragmentation ratios unequivocal confirmation criteria?
inferredcites →https://doi.org/10.1002/rcm.4285openalex-extracted
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.6700openalex-extracted
Can ion mobility mass spectrometry and density functional theory help elucidate protonation sites in 'small' molecules?
inferredcites →https://doi.org/10.1002/rcm.8193openalex-extracted
Ion mobility mass spectrometry of saponin ions
inferredcites →https://doi.org/10.1002/rcm.8371openalex-extracted
Investigations into the performance of travelling wave enabled conventional and cyclic ion mobility systems to characterise protomers of fluoroquinolone antibiotic residues
inferredcites →https://doi.org/10.1002/rcm.9308openalex-extracted
Evaluation of acquisition modes for semi‐quantitative analysis by targeted and untargeted mass spectrometry
inferredcites →https://doi.org/10.1007/s11306-019-1474-9openalex-extracted
Development of a rapid profiling method for the analysis of polar analytes in urine using HILIC–MS and ion mobility enabled HILIC–MS
inferredcites →https://doi.org/10.1007/s13361-015-1191-1openalex-extracted
How Closely Related Are Conformations of Protein Ions Sampled by IM-MS to Native Solution Structures?
inferredcites →https://doi.org/10.1007/s13361-017-1661-8openalex-extracted
Benchmark Comparison for a Multi-Processing Ion Mobility Calculator in the Free Molecular Regime
inferredcites →https://doi.org/10.1007/s13361-017-1822-9openalex-extracted
Comparison of Different Ion Mobility Setups Using Poly (Ethylene Oxide) PEO Polymers: Drift Tube, TIMS, and T-Wave
inferredcites →https://doi.org/10.1007/s13361-019-02288-2openalex-extracted
Ion Mobility Spectrometry: Fundamental Concepts, Instrumentation, Applications, and the Road Ahead
inferredcites →https://doi.org/10.1016/j.aca.2018.09.065openalex-extracted
Collision cross section (CCS) as a complementary parameter to characterize human and veterinary drugs
inferredcites →https://doi.org/10.1016/j.aca.2020.05.052openalex-extracted
Liquid chromatography-ion mobility-high resolution mass spectrometry for analysis of pollutants in indoor dust: Identification and predictive capabilities
inferredcites →https://doi.org/10.1016/j.aca.2020.11.049openalex-extracted
30 Years of research on ESI/MS response: Trends, contradictions and applications
inferredcites →https://doi.org/10.1016/j.aca.2021.338257openalex-extracted
Ion mobility-high resolution mass spectrometry in anti-doping analysis. Part I: Implementation of a screening method with the assessment of a library of substances prohibited in sports
inferredcites →https://doi.org/10.1016/j.acax.2019.100006openalex-extracted
Potential of ion mobility-mass spectrometry for both targeted and non-targeted analysis of phase II steroid metabolites in urine
inferredcites →https://doi.org/10.1016/j.chemosphere.2021.130799openalex-extracted
The relevant role of ion mobility separation in LC-HRMS based screening strategies for contaminants of emerging concern in the aquatic environment
inferredcites →https://doi.org/10.1016/j.chroma.2013.08.056openalex-extracted
Separation of steroid isomers by ion mobility mass spectrometry
inferredcites →https://doi.org/10.1016/j.chroma.2018.02.025openalex-extracted
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
inferredcites →https://doi.org/10.1016/j.chroma.2019.06.056openalex-extracted
A comparison of collision cross section values obtained via travelling wave ion mobility-mass spectrometry and ultra high performance liquid chromatography-ion mobility-mass spectrometry: Application to the characterisation of metabolites in rat urine
inferredcites →https://doi.org/10.1016/j.dmpk.2020.04.251openalex-extracted
P250 - Utility of ion mobility-enabled high resolution mass spectrometry and CCS prediction for characterizing isomeric metabolites in biotransformation studies
inferredcites →https://doi.org/10.1016/j.ijms.2009.09.011openalex-extracted
Considerations in experimental and theoretical collision cross-section measurements of small molecules using travelling wave ion mobility spectrometry-mass spectrometry
inferredcites →https://doi.org/10.1016/j.ijms.2011.06.014openalex-extracted
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.ijms.2017.11.003openalex-extracted
An algorithm to correct saturated mass spectrometry ion abundances for enhanced quantitation and mass accuracy in omic studies
inferredcites →https://doi.org/10.1016/j.talanta.2021.122604openalex-extracted
Investigations into pesticide charge site isomers using conventional IM and cIM systems
inferredcites →https://doi.org/10.1021/ac503715vopenalex-extracted
Ion Mobility-Derived Collision Cross Section As an Additional Measure for Lipid Fingerprinting and Identification
inferredcites →https://doi.org/10.1021/acs.analchem.0c00233openalex-extracted
Generalized Calibration Across Liquid Chromatography Setups for Generic Prediction of Small-Molecule Retention Times
inferredcites →https://doi.org/10.1021/acs.analchem.1c01465openalex-extracted
CFM-ID 4.0: More Accurate ESI-MS/MS Spectral Prediction and Compound Identification
inferredcites →https://doi.org/10.1021/acs.analchem.1c02834openalex-extracted
Mapping Isomeric Peptides Derived from Biopharmaceuticals Using High-Resolution Ion Mobility Mass Spectrometry
inferredcites →https://doi.org/10.1021/acs.analchem.2c03491openalex-extracted
CCS Predictor 2.0: An Open-Source Jupyter Notebook Tool for Filtering Out False Positives in Metabolomics
inferredcites →https://doi.org/10.1021/acs.analchem.5b01139openalex-extracted
Retention Time Prediction Improves Identification in Nontargeted Lipidomics Approaches
inferredcites →https://doi.org/10.1021/acs.analchem.6b01728openalex-extracted
Evaluation of Collision Cross Section Calibrants for Structural Analysis of Lipids by Traveling Wave Ion Mobility-Mass Spectrometry
inferredcites →https://doi.org/10.1021/acs.analchem.6b03091openalex-extracted
Large-Scale Prediction of Collision Cross-Section Values for Metabolites in Ion Mobility-Mass Spectrometry
inferredcites →https://doi.org/10.1021/acs.analchem.7b00112openalex-extracted
Variable-Velocity Traveling-Wave Ion Mobility Separation Enhancing Peak Capacity for Data-Independent Acquisition Proteomics
inferredcites →https://doi.org/10.1021/acs.analchem.7b00741openalex-extracted
Prediction of Collision Cross-Section Values for Small Molecules: Application to Pesticide Residue Analysis
inferredcites →https://doi.org/10.1021/acs.analchem.7b01709openalex-extracted
Large-Scale Structural Characterization of Drug and Drug-Like Compounds by High-Throughput Ion Mobility-Mass Spectrometry
inferredcites →https://doi.org/10.1021/acs.analchem.7b01729openalex-extracted
An Interlaboratory Evaluation of Drift Tube Ion Mobility–Mass Spectrometry Collision Cross Section Measurements
inferredcites →https://doi.org/10.1021/acs.analchem.7b02625openalex-extracted
LipidCCS: Prediction of Collision Cross-Section Values for Lipids with High Precision To Support Ion Mobility–Mass Spectrometry-Based Lipidomics
inferredcites →https://doi.org/10.1021/acs.analchem.7b05002openalex-extracted
Exploring the Complexity of Steviol Glycosides Analysis Using Ion Mobility Mass Spectrometry
inferredcites →https://doi.org/10.1021/acs.analchem.8b02711openalex-extracted
Comparison of CCS Values Determined by Traveling Wave Ion Mobility Mass Spectrometry and Drift Tube Ion Mobility Mass Spectrometry
inferredcites →https://doi.org/10.1021/acs.analchem.8b04567openalex-extracted
ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries
inferredcites →https://doi.org/10.1021/acs.analchem.8b05820openalex-extracted
Comprehensive and Empirical Evaluation of Machine Learning Algorithms for Small Molecule LC Retention Time Prediction
inferredcites →https://doi.org/10.1021/acs.analchem.8b05821openalex-extracted
Predicting Ion Mobility Collision Cross-Sections Using a Deep Neural Network: DeepCCS
inferredcites →https://doi.org/10.1021/acs.analchem.9b01838openalex-extracted
A Cyclic Ion Mobility-Mass Spectrometry System
inferredcites →https://doi.org/10.1021/acs.analchem.9b05772openalex-extracted
Breaking Down Structural Diversity for Comprehensive Prediction of Ion-Neutral Collision Cross Sections
inferredcites →https://doi.org/10.1021/acs.jafc.1c06989openalex-extracted
Prediction of Collision Cross Section Values: Application to Non-Intentionally Added Substance Identification in Food Contact Materials
inferredcites →https://doi.org/10.1021/jasms.0c00375openalex-extracted
Application of Predicted Collisional Cross Section to Metabolome Databases to Probabilistically Describe the Current and Future Ion Mobility Mass Spectrometry
inferredcites →https://doi.org/10.1021/jasms.0c00427openalex-extracted
Investigation into Small Molecule Isomeric Glucuronide Metabolite Differentiation Using In Silico and Experimental Collision Cross-Section Values
inferredcites →https://doi.org/10.1021/jasms.2c00111openalex-extracted
High-Throughput Measurement and Machine Learning-Based Prediction of Collision Cross Sections for Drugs and Drug Metabolites
inferredcites →https://doi.org/10.1038/nprot.2017.013openalex-extracted
Metabolomics and lipidomics using traveling-wave ion mobility mass spectrometry
inferredcites →https://doi.org/10.1038/s41467-019-13680-7openalex-extracted
The METLIN small molecule dataset for machine learning-based retention time prediction
inferredcites →https://doi.org/10.1038/s41467-020-18171-8openalex-extracted
Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics
inferredcites →https://doi.org/10.1039/c5an02062jopenalex-extracted
Uncovering biologically significant lipid isomers with liquid chromatography, ion mobility spectrometry and mass spectrometry
inferredcites →https://doi.org/10.1039/c5an02456kopenalex-extracted
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
inferredcites →https://doi.org/10.1039/c7sc03464dopenalex-extracted
A structural examination and collision cross section database for over 500 metabolites and xenobiotics using drift tube ion mobility spectrometry
inferredcites →https://doi.org/10.1039/c8cc06966bopenalex-extracted
Unraveling the isomeric heterogeneity of glycans: ion mobility separations in structures for lossless ion manipulations
inferredcites →https://doi.org/10.1039/c8sc04396eopenalex-extracted
Collision cross section compendium to annotate and predict multi-omic compound identities
inferredcites →https://doi.org/10.1039/c9an00937jopenalex-extracted
Separation of isomeric glycans by ion mobility spectrometry – the impact of fluorescent labelling
inferredcites →https://doi.org/10.1063/1.472933openalex-extracted
Rationale for mixing exact exchange with density functional approximations
inferredcites →https://doi.org/10.1093/bioinformatics/bti429openalex-extracted
A protocol for building and evaluating predictors of disease state based on microarray data
inferredcites →https://doi.org/10.1093/bioinformatics/btx140openalex-extracted
MetCCS predictor: a web server for predicting collision cross-section values of metabolites in ion mobility-mass spectrometry based metabolomics
inferredcites →https://doi.org/10.1093/bioinformatics/bty661openalex-extracted
LipidIMMS Analyzer: integrating multi-dimensional information to support lipid identification in ion mobility—mass spectrometry based lipidomics
inferredcites →https://doi.org/10.1186/1758-2946-3-33openalex-extracted
Open Babel: An open chemical toolbox
inferredcites →https://doi.org/10.1186/1758-2946-4-17openalex-extracted
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
inferredcites →https://doi.org/10.1186/s13321-016-0174-yopenalex-extracted
ClassyFire: automated chemical classification with a comprehensive, computable taxonomy
inferredcites →https://doi.org/10.1186/s13321-018-0258-yopenalex-extracted
Mordred: a molecular descriptor calculator
inferredcites →https://doi.org/10.1186/s13321-019-0384-1openalex-extracted
Open-source QSAR models for pKa prediction using multiple machine learning approaches
inferredcites →https://doi.org/10.4155/bio-2019-0081openalex-extracted
Microflow UPLC and High-Resolution MS as a Sensitive and Robust Platform for Quantitation of Intact Peptide Hormones
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