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Application of Predicted Collisional Cross Section to Metabolome Databases to Probabilistically Describe the Current and Future Ion Mobility Mass Spectrometry

https://doi.org/10.1021/jasms.0c00375
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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/jhrc.1240100517openalex-snapshot
Concepts and comparisons in multidimensional separation
inferredcites →https://doi.org/10.1002/jms.3245openalex-snapshot
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/pca.2825openalex-snapshot
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/rcm.8193openalex-snapshot
Ion mobility mass spectrometry of saponin ions
inferredcites →https://doi.org/10.1002/rcm.8371openalex-snapshot
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/10.1016/j.aca.2014.05.048openalex-snapshot
A new measure of orthogonality for multi-dimensional chromatography
inferredcites →https://doi.org/10.1016/j.acax.2019.100006openalex-snapshot
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.chroma.2013.08.056openalex-snapshot
Separation of steroid isomers by ion mobility mass spectrometry
inferredcites →https://doi.org/10.1016/j.chroma.2015.09.009openalex-snapshot
Theoretical evaluation of peak capacity improvements by use of liquid chromatography combined with drift tube ion mobility-mass spectrometry
inferredcites →https://doi.org/10.1016/j.chroma.2017.06.036openalex-snapshot
Orthogonality measurements for multidimensional chromatography in three and higher dimensional separations
inferredcites →https://doi.org/10.1016/j.chroma.2017.11.014openalex-snapshot
Comprehensive lipidomic analysis of human plasma using multidimensional liquid- and gas-phase separations: Two-dimensional liquid chromatography–mass spectrometry vs. liquid chromatography–trapped-ion-mobility–mass spectrometry
inferredcites →https://doi.org/10.1016/j.ijms.2009.09.011openalex-snapshot
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/s1044-0305(00)00163-xopenalex-snapshot
Mechanistic investigation of ionization suppression in electrospray ionization
inferredcites →https://doi.org/10.1016/s1387-3806(01)00511-5openalex-snapshot
Multidimensional separations of complex peptide mixtures: a combined high-performance liquid chromatography/ion mobility/time-of-flight mass spectrometry approach
inferredcites →https://doi.org/10.1021/ac3014498openalex-snapshot
Ion Mobility Mass Spectrometry of Peptide Ions: Effects of Drift Gas and Calibration Strategies
inferredcites →https://doi.org/10.1021/ac4015066openalex-snapshot
Ion Trapping for Ion Mobility Spectrometry Measurements in a Cyclical Drift Tube
inferredcites →https://doi.org/10.1021/ac503715vopenalex-snapshot
Ion Mobility-Derived Collision Cross Section As an Additional Measure for Lipid Fingerprinting and Identification
inferredcites →https://doi.org/10.1021/acs.analchem.5b00941openalex-snapshot
Accelerated Isotope Fine Structure Calculation Using Pruned Transition Trees
inferredcites →https://doi.org/10.1021/acs.analchem.6b03091openalex-snapshot
Large-Scale Prediction of Collision Cross-Section Values for Metabolites in Ion Mobility-Mass Spectrometry
inferredcites →https://doi.org/10.1021/acs.analchem.7b00112openalex-snapshot
Variable-Velocity Traveling-Wave Ion Mobility Separation Enhancing Peak Capacity for Data-Independent Acquisition Proteomics
inferredcites →https://doi.org/10.1021/acs.analchem.7b00185openalex-snapshot
Serpentine Ultralong Path with Extended Routing (SUPER) High Resolution Traveling Wave Ion Mobility-MS using Structures for Lossless Ion Manipulations
inferredcites →https://doi.org/10.1021/acs.analchem.7b05002openalex-snapshot
Exploring the Complexity of Steviol Glycosides Analysis Using Ion Mobility Mass Spectrometry
inferredcites →https://doi.org/10.1021/acs.analchem.8b03234openalex-snapshot
Comprehensive Three-Dimensional LC × LC × Ion Mobility Spectrometry Separation Combined with High-Resolution MS for the Analysis of Complex Samples
inferredcites →https://doi.org/10.1021/acs.analchem.8b04322openalex-snapshot
Untargeted Molecular Discovery in Primary Metabolism: Collision Cross Section as a Molecular Descriptor in Ion Mobility-Mass Spectrometry
inferredcites →https://doi.org/10.1021/acs.analchem.8b04567openalex-snapshot
ISiCLE: A Quantum Chemistry Pipeline for Establishing in Silico Collision Cross Section Libraries
inferredcites →https://doi.org/10.1021/acs.analchem.8b04698openalex-snapshot
Structure Annotation of All Mass Spectra in Untargeted Metabolomics
inferredcites →https://doi.org/10.1021/acs.analchem.8b05821openalex-snapshot
Predicting Ion Mobility Collision Cross-Sections Using a Deep Neural Network: DeepCCS
inferredcites →https://doi.org/10.1021/acs.analchem.9b05772openalex-snapshot
Breaking Down Structural Diversity for Comprehensive Prediction of Ion-Neutral Collision Cross Sections
inferredcites →https://doi.org/10.1038/s41467-020-18171-8openalex-snapshot
Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics
inferredcites →https://doi.org/10.1038/s41587-020-0531-2openalex-snapshot
A lipidome atlas in MS-DIAL 4
inferredcites →https://doi.org/10.1039/c5an02062jopenalex-snapshot
Uncovering biologically significant lipid isomers with liquid chromatography, ion mobility spectrometry and mass spectrometry
inferredcites →https://doi.org/10.1039/c8cc06966bopenalex-snapshot
Unraveling the isomeric heterogeneity of glycans: ion mobility separations in structures for lossless ion manipulations
inferredcites →https://doi.org/10.1039/c9an00937jopenalex-snapshot
Separation of isomeric glycans by ion mobility spectrometry – the impact of fluorescent labelling
inferredcites →https://doi.org/10.1093/bioinformatics/bty661openalex-snapshot
LipidIMMS Analyzer: integrating multi-dimensional information to support lipid identification in ion mobility—mass spectrometry based lipidomics
inferredcites →https://doi.org/10.1093/nar/gkx1089openalex-snapshot
HMDB 4.0: the human metabolome database for 2018
inferredcites →https://doi.org/10.1126/science.aay3164openalex-snapshot
The exposome and health: Where chemistry meets biology
inferredcites →https://doi.org/10.1126/science.aay6636openalex-snapshot
Tracking complex mixtures of chemicals in our changing environment
inferredcites →https://doi.org/10.1145/2939672.2939785openalex-snapshot
XGBoost
inferredcites →https://doi.org/10.18637/jss.v018.i05openalex-snapshot
Chemical Informatics Functionality in R
inferredcites →https://doi.org/10.2174/1573411011309020006openalex-snapshot
An Ion Mobility Assisted Data Independent LC-MS Strategy for the Analysis of Complex Biological Samples
inferredcites →https://doi.org/10.32614/r.manualsopenalex-snapshot
R: A Language and Environment for Statistical Computing
inferredcites →https://doi.org/10.3389/feart.2019.00180openalex-snapshot
CHNOSZ: Thermodynamic Calculations and Diagrams for Geochemistry
inferredcites →https://doi.org/10.48550/arxiv.1201.0490openalex-snapshot
Scikit-learn: Machine Learning in Python

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4646924openalex-extracted
inferred← citeshttps://doi.org/10.1002/jms.4973openalex-snapshot
Collision cross section measurement and prediction methods in omics
inferred← citeshttps://doi.org/10.1002/jssc.70163openalex-snapshot
A HILIC‐IM‐MS‐Based Pharmacometabodynamic Study of the Effects of Orally Administered Gefitinib on the Polar Urinary Metabolic Phenotypes of C57Bl6 Mice
inferred← citeshttps://doi.org/10.1002/jssc.70549openalex-snapshot
Green Sorptive Sampling Coupled With UHPLC–IMS–MS and GC×GC–TOFMS for Characterization of Migrating Substances From Plastic Food Contact Materials
inferred← citeshttps://doi.org/10.1007/978-3-031-64636-2_17openalex-snapshot
Training Deep Learning Neural Networks for Predicting CCS Using the METLIN-CCS Dataset
inferred← citeshttps://doi.org/10.1007/s00216-023-05063-1openalex-snapshot
Potential of measured relative shifts in collision cross section values for biotransformation studies
inferred← citeshttps://doi.org/10.1016/j.aca.2023.341026openalex-snapshot
Collision cross-section as a universal molecular descriptor in the analysis of PFAS and use of ion mobility spectrum filtering for improved analytical sensitivities
inferred← citeshttps://doi.org/10.1016/j.aca.2024.342346openalex-snapshot
Strategy strengthens structural identification through hyphenating full collision energy ramp-MS2 and full exciting energy ramp-MS3 spectra: An application for metabolites identification of rosmarinic acid
inferred← citeshttps://doi.org/10.1016/j.chroma.2023.463966openalex-snapshot
Understanding mobile phase buffer composition and chemical structure effects on electrospray ionization mass spectrometry response
inferred← citeshttps://doi.org/10.1016/j.chroma.2023.464537openalex-snapshot
Increasing coverage of the urinary polar metabolome using ultra high-performance hydrophobic interaction liquid chromatography combined with linear and cyclic travelling wave ion mobility and mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.chroma.2023.464597openalex-snapshot
The rapid separation and characterization of sulfates of tyrosine and its metabolites in reaction mixtures and human urine using a cyclic ion mobility device and mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.chroma.2026.467437openalex-snapshot
A library of experimental collision cross sections for food, beverage and plant metabolites generated by reversed-phase liquid chromatography coupled to travelling-wave ion mobility and high-resolution mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.talanta.2024.125970openalex-snapshot
Predicting Ion Mobility Collision Cross Sections and Assessing Prediction Variation by Combining Conventional and Data Driven Modeling
inferred← citeshttps://doi.org/10.1016/j.talanta.2024.127298openalex-snapshot
Integration of feature-based molecular networking and high-definition data-dependent acquisition for the comprehensive multicomponent characterization of Honghua Xiaoyao Tablet
inferred← citeshttps://doi.org/10.1016/j.trac.2022.116907openalex-snapshot
Isomer analysis by mass spectrometry in clinical science
inferred← citeshttps://doi.org/10.1021/acs.analchem.0c04487openalex-snapshot
Use of Cyclic Ion Mobility Spectrometry (cIM)-Mass Spectrometry to Study the Intramolecular Transacylation of Diclofenac Acyl Glucuronide
inferred← citeshttps://doi.org/10.1021/acs.analchem.4c00630openalex-snapshot
Predicting the Predicted: A Comparison of Machine Learning-Based Collision Cross-Section Prediction Models for Small Molecules
inferred← citeshttps://doi.org/10.1021/acs.analchem.5c04665openalex-snapshot
Trapped Ion Mobility Improves Annotation Accuracy in LC-HRMS Screening Applications for Exposomics
inferred← citeshttps://doi.org/10.1021/acs.chemrev.2c00600openalex-snapshot
Ion Mobility Mass Spectrometry (IM-MS) for Structural Biology: Insights Gained by Measuring Mass, Charge, and Collision Cross Section
inferred← citeshttps://doi.org/10.1021/acs.est.2c02853openalex-snapshot
Prediction of Collision Cross-Section Values for Extractables and Leachables from Plastic Products
inferred← citeshttps://doi.org/10.1021/acs.est.3c03686openalex-snapshot
Application of Ion Mobility Spectrometry and the Derived Collision Cross Section in the Analysis of Environmental Organic Micropollutants
inferred← citeshttps://doi.org/10.1021/acs.jafc.1c06989openalex-snapshot
Prediction of Collision Cross Section Values: Application to Non-Intentionally Added Substance Identification in Food Contact Materials
inferred← citeshttps://doi.org/10.1021/acs.jafc.2c00724openalex-snapshot
A Collision Cross Section Database for Extractables and Leachables from Food Contact Materials
inferred← citeshttps://doi.org/10.1021/acs.jafc.2c03615openalex-snapshot
Identification of Nonvolatile Migrates from Food Contact Materials Using Ion Mobility–High-Resolution Mass Spectrometry and in Silico Prediction Tools
inferred← citeshttps://doi.org/10.1021/acs.jproteome.2c00629openalex-snapshot
ProteomicsML: An Online Platform for Community-Curated Data sets and Tutorials for Machine Learning in Proteomics
inferred← citeshttps://doi.org/10.1021/acs.jproteome.2c00711openalex-snapshot
Toward an Integrated Machine Learning Model of a Proteomics Experiment
inferred← citeshttps://doi.org/10.1021/acs.jproteome.5c01271openalex-snapshot
Maximizing Lipidome Coverage of Mouse Liver Following the IV Administration of Gefitinib by Combining Both UHPLC-MS-Based Untargeted and Targeted Lipidomics
inferred← citeshttps://doi.org/10.1021/jasms.0c00427openalex-snapshot
Investigation into Small Molecule Isomeric Glucuronide Metabolite Differentiation Using In Silico and Experimental Collision Cross-Section Values
inferred← citeshttps://doi.org/10.1080/00498254.2021.1958027openalex-snapshot
Meeting report of the first European biotransformation workshop
inferred← citeshttps://doi.org/10.1093/exposome/osac001openalex-snapshot
Chemical contact tracing for exposomics
inferred← citeshttps://doi.org/10.3389/fchem.2023.1203418openalex-snapshot
Two-dimensional liquid chromatography and ion mobility-mass spectrometry for the multicomponent characterization of different parts of the medicinal plant Gynostemma longipes
inferred← citeshttps://doi.org/10.3390/molecules28104050openalex-snapshot
Collision Cross Section Prediction Based on Machine Learning
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