A Collision Cross Section Database for Extractables and Leachables from Food Contact Materials

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

(2022) Xue-Chao Song et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

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-High-Resolution Mass Spectrometry (IM-HRMS) for the Analysis of Contaminants of Emerging Concern (CECs): Database Compilation and Application to Urine Samples

(2021) Lidia Belova et al.   ANALYTICAL CHEMISTRY

Safety concerns of recycling postconsumer polyolefins for food contact uses: Regarding (semi-)volatile migrants untargetedly screened

(2021) Qi-Zhi Su et al.   RESOURCES CONSERVATION AND RECYCLING

Plastic Products Leach Chemicals That Induce In Vitro Toxicity under Realistic Use Conditions

(2021) Lisa Zimmermann et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

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

Investigation into Small Molecule Isomeric Glucuronide Metabolite Differentiation Using In Silico and Experimental Collision Cross-Section Values

(2021) John R. F. B. Connolly et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Decontamination efficiencies of post-consumer high-density polyethylene milk bottles and prioritization of high concern volatile migrants

(2021) Qi-Zhi Su et al.   RESOURCES CONSERVATION AND RECYCLING

Rat Metabolism Study Suggests 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic Acid as a Potential Urinary Biomarker of Human Exposure to Representative 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionate Antioxidants

(2021) Runzeng Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

The application of ion mobility time of flight mass spectrometry to elucidate neo-formed compounds derived from polyurethane adhesives used in champagne cork stoppers

(2021) Elena Canellas et al.   TALANTA

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

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

Liquid Chromatography-Ion Mobility-High Resolution Mass Spectrometry for Analysis of Pollutants in Indoor Dust: Identification and Predictive Capabilities

(2020) Lauren Mullin et al.   ANALYTICA CHIMICA ACTA

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

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

Collision Cross Section Conformational Analyses of Bile Acids via Ion Mobility–Mass Spectrometry

(2020) James C. Poland et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

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

Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation

(2020) Alberto Celma et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Overview of intentionally used food contact chemicals and their hazards

(2020) Ksenia J. Groh et al.   ENVIRONMENT INTERNATIONAL

Non-targeted analysis and risk assessment of non-volatile compounds in polyamide food contact materials

(2020) Yajing Hu et al.   FOOD 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

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

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

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

Generation of a Collision Cross Section Library for Multi-Dimensional Plant Metabolomics Using UHPLC-Trapped Ion Mobility-MS/MS

(2019) Mark Schroeder et al.   Metabolites

Ion mobility-derived collision cross section database: Application to mycotoxin analysis

(2018) Laura Righetti et al.   ANALYTICA CHIMICA ACTA

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

An overview of chemical additives present in plastics: Migration, release, fate and environmental impact during their use, disposal and recycling

(2018) John N. Hahladakis et al.   JOURNAL OF HAZARDOUS MATERIALS

Synthetic Phenolic Antioxidants and Transformation Products in Human Sera from United States Donors

(2018) Runzeng Liu et al.   Environmental Science & Technology Letters

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

High-throughput dietary exposure predictions for chemical migrants from food contact substances for use in chemical prioritization

(2017) Derya Biryol et al.   ENVIRONMENT INTERNATIONAL

Targeted approach for qualitative screening of pesticides in salmon feed by liquid chromatography coupled to traveling-wave ion mobility/quadrupole time-of-flight mass spectrometry

(2017) Jorge Regueiro et al.   FOOD CONTROL

Analysis of Phenolic Compounds in Rooibos Tea (Aspalathus linearis) with a Comparison of Flavonoid-Based Compounds in Natural Populations of Plants from Different Regions

(2017) Maria A. Stander et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Structural Elucidation of cis/trans Dicaffeoylquinic Acid Photoisomerization Using Ion Mobility Spectrometry-Mass Spectrometry

(2017) Xueyun Zheng et al.   Journal of Physical Chemistry Letters

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

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

Ion-Mobility-Derived Collision Cross Section as an Additional Identification Point for Multiresidue Screening of Pesticides in Fish Feed

(2016) Jorge Regueiro 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

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

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

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

Occurrence of Synthetic Phenolic Antioxidants and Major Metabolites in Municipal Sewage Sludge in China

(2015) Runzeng Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY