Prediction of Collision Cross Section Values: Application to Non-Intentionally Added Substance Identification in Food Contact Materials

An Improved Calibration Approach for Traveling Wave Ion Mobility Spectrometry: Robust, High-Precision Collision Cross Sections

(2021) K. Richardson et al.   ANALYTICAL CHEMISTRY

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

(2021) Corey D. Broeckling et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Ion mobility mass spectrometry in the omics era: Challenges and opportunities for metabolomics and lipidomics

(2021) Giuseppe Paglia et al.   MASS SPECTROMETRY REVIEWS

The use of ion mobility time-of-flight mass spectrometry to assess the migration of polyamide 6 and polyamide 66 oligomers from kitchenware utensils to food

(2021) Elena Canellas et al.   FOOD CHEMISTRY

Discovery and Characterization of Phenolic Compounds in Bearberry (Arctostaphylos uva-ursi) Leaves Using Liquid Chromatography–Ion Mobility–High-Resolution Mass Spectrometry

(2021) Xue-Chao Song et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

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

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

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

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

Travelling Wave Ion Mobility-Derived Collision Cross Section for Mycotoxins: Investigating Interlaboratory and Interplatform Reproducibility

(2020) Laura Righetti et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

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

(2020) Zhiwei Zhou et al.   Nature Communications

Structure Annotation of All Mass Spectra in Untargeted Metabolomics

(2019) Ivana Blaženović et al.   ANALYTICAL CHEMISTRY

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

(2019) Michael McCullagh et al.   PHYTOCHEMICAL ANALYSIS

Recommendations for reporting ion mobility Mass Spectrometry measurements

(2019) Valérie Gabelica et al.   MASS SPECTROMETRY REVIEWS

Predicting Ion Mobility Collision Cross-Sections Using a Deep Neural Network: DeepCCS

(2019) Pier-Luc Plante et al.   ANALYTICAL CHEMISTRY

A Cyclic Ion Mobility – Mass Spectrometry System

(2019) Kevin Giles et al.   ANALYTICAL CHEMISTRY

Determination of volatile non intentionally added substances coming from a starch-based biopolymer intended for food contact by different gas chromatography-mass spectrometry approaches

(2019) Jazmín Osorio et al.   JOURNAL OF CHROMATOGRAPHY A

Volatile non-intentionally added substances (NIAS) identified in recycled expanded polystyrene containers and their migration into food simulants

(2019) Xue-Chao Song et al.   Food Packaging and Shelf Life

Ion-Mobility Quadrupole Time-of-Flight Mass Spectrometry: A Novel Technique Applied to Migration of Nonintentionally Added Substances from Polyethylene Films Intended for Use as Food Packaging

(2019) Paula Vera et al.   ANALYTICAL CHEMISTRY

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

(2019) Leanne C. Nye et al.   JOURNAL OF CHROMATOGRAPHY A

Migration studies and toxicity evaluation of cyclic polyesters oligomers from food packaging adhesives

(2019) Sara Ubeda et al.   FOOD CHEMISTRY

Determination of oligomers in virgin and recycled polyethylene terephthalate (PET) samples by UPLC-MS-QTOF

(2018) Sara Ubeda et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Collision Cross Section (CCS) Database: An Additional Measure to Characterize Steroids

(2018) Maykel Hernández-Mesa et al.   ANALYTICAL CHEMISTRY

The application of ion mobility mass spectrometry to metabolomics

(2018) Xing Zhang et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Fundamentals of ion mobility spectrometry

(2018) Valérie Gabelica et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Fundamentals of travelling wave ion mobility revisited: I. Smoothly moving waves

(2018) K. Richardson et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

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

Comparison of CCS Values Determined by Traveling Wave Ion Mobility Mass Spectrometry and Drift Tube Ion Mobility Mass Spectrometry

(2018) Vanessa Hinnenkamp et al.   ANALYTICAL CHEMISTRY

Untargeted Molecular Discovery in Primary Metabolism: Collision Cross Section as a Molecular Descriptor in Ion Mobility-Mass Spectrometry

(2018) Charles M. Nichols et al.   ANALYTICAL CHEMISTRY

Determination of non-volatile components of a biodegradable food packaging material based on polyester and polylactic acid (PLA) and its migration to food simulants

(2018) Margarita Aznar et al.   JOURNAL OF CHROMATOGRAPHY A

Adding a new separation dimension to MS and LC-MS: What is the utility of ion mobility spectrometry?

(2017) Valentina D'Atri et al.   JOURNAL OF SEPARATION SCIENCE

A structural examination and collision cross section database for over 500 metabolites and xenobiotics using drift tube ion mobility spectrometry

(2017) Xueyun Zheng et al.   Chemical Science

Collision cross section prediction of deprotonated phenolics in a travelling-wave ion mobility spectrometer using molecular descriptors and chemometrics

(2016) Gerard Bryan Gonzales et al.   ANALYTICA CHIMICA ACTA

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

(2016) Zhiwei Zhou et al.   ANALYTICAL CHEMISTRY

Mass Spectrometric Collisional Activation and Product Ion Mobility of Human Serum Neutral Lipid Extracts

(2016) Joseph A. Hankin et al.   ANALYTICAL CHEMISTRY

Applications of ion mobility mass spectrometry for high throughput, high resolution glycan analysis

(2016) C.J. Gray et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Effects of Ultraviolet (UV) on Degradation of Irgafos 168 and Migration of Its Degradation Products from Polypropylene Films

(2016) Yueping Yang et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Isolation and Quantification of Polyamide Cyclic Oligomers in Kitchen Utensils and Their Migration into Various Food Simulants

(2016) Yutaka Abe et al.   PLoS One

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

(2016) Yannick Djoumbou Feunang et al.   Journal of Cheminformatics

UPLC–ESI-Q-TOF-MSE and GC–MS identification and quantification of non-intentionally added substances coming from biodegradable food packaging

(2015) Elena Canellas et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Risk assessment derived from migrants identified in several adhesives commonly used in food contact materials

(2015) E. Canellas et al.   FOOD AND CHEMICAL TOXICOLOGY

Protomers of Benzocaine: Solvent and Permittivity Dependence

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

Experimental Evaluation and Optimization of Structures for Lossless Ion Manipulations for Ion Mobility Spectrometry with Time-of-Flight Mass Spectrometry

(2014) Ian K. Webb et al.   ANALYTICAL CHEMISTRY

Ion Mobility-Derived Collision Cross Section As an Additional Measure for Lipid Fingerprinting and Identification

(2014) Giuseppe Paglia et al.   ANALYTICAL CHEMISTRY

The challenge of identifying non-intentionally added substances from food packaging materials: A review

(2013) C. Nerin et al.   ANALYTICA CHIMICA ACTA

Baseline resolution of isomers by traveling wave ion mobility mass spectrometry: investigating the effects of polarizable drift gases and ionic charge distribution

(2013) Priscila M. Lalli et al.   JOURNAL OF MASS SPECTROMETRY

Discriminating Variable Test and Selectivity Ratio Plot: Quantitative Tools for Interpretation and Variable (Biomarker) Selection in Complex Spectral or Chromatographic Profiles

(2009) Tarja Rajalahti et al.   ANALYTICAL CHEMISTRY

Ion mobility–mass spectrometry analysis of large protein complexes

(2008) Brandon T Ruotolo et al.   Nature Protocols