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Earth, Space, and Environmental Chemistry

PubChemLite plus Collision Cross Section (CCS) values for enhanced interpretation of non-target environmental data

Anjana Elapavalore, Dylan Ross, Valentin Groues, Dagny Aurich, Allison Krinsky, Sunghwan Kim, Paul Thiessen, Jian Zhang, James Dodds, Erin Baker, Evan Bolton, Libin Xu, Emma Schymanski

Version 1 posted 22 November 2024

217

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Analytical Chemistry

Working Paper

Predicting Ion Mobility Collision Cross Sections using Projection Approximation with ROSIE-PARCS Webserver

SM Bargeen Turzo, Justin Seffernick, Sergey Lyskov, Steffen Lindert

Version 1 posted 27 February 2023

444

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3

Citations

Theoretical and Computational Chemistry

Working Paper

Evaluating the generalizability of graph neural networks for predicting collision cross section

Chloe Engler Hart, António José Preto, Shaurya Chanana, David Healey, Tobias Kind, Daniel Domingo-Fernández

Version 1 posted 17 May 2024

262

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Earth, Space, and Environmental Chemistry

Working Paper

Exploiting Molecular Ions for Screening Hydrophobic Contaminants in Sediments using Gas Chromatography-Atmospheric Pressure Chemical Ionization-Ion Mobility-Mass Spectrometry

Xiaodi Shi, Håkon A. Langberg, Anna Sobek, Jonathan P. Benskin

Version 1 posted 28 October 2024

161

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Analytical Chemistry

Working Paper

CCSfind: A tool for chemically informed LC-IM-MS database building

Sangeeta Kumari, Tim Causon

Version 1 posted 01 March 2024

215

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Earth, Space, and Environmental Chemistry

Working Paper

Multidimensional-constrained Suspect Screening of Hydrophobic Chemicals Using Gas Chromatography-Atmospheric Pressure Chemical Ionization-Ion Mobility-Mass Spectrometry

Xiaodi Shi, Anna Sobek, Jonathan P. Benskin

Version 2 posted 30 October 2024

129

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Analytical Chemistry

Working Paper

Exploring the Conformational Landscape of Poly(L-lysine) Dendrimers using Ion Mobility Mass Spectrometry

Xudong Wang, Florian Benoit, Junxiao Dai, Niklas Geue, Anthony Bristow, Richard England, Perdita Barran

Version 1 posted 20 December 2023

210

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1

Citations

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7 results in Collision Cross Section in Keywords: Collision Cross Section

PubChemLite plus Collision Cross Section (CCS) values for enhanced interpretation of non-target environmental data

Predicting Ion Mobility Collision Cross Sections using Projection Approximation with ROSIE-PARCS Webserver

Evaluating the generalizability of graph neural networks for predicting collision cross section

Exploiting Molecular Ions for Screening Hydrophobic Contaminants in Sediments using Gas Chromatography-Atmospheric Pressure Chemical Ionization-Ion Mobility-Mass Spectrometry

CCSfind: A tool for chemically informed LC-IM-MS database building

Multidimensional-constrained Suspect Screening of Hydrophobic Chemicals Using Gas Chromatography-Atmospheric Pressure Chemical Ionization-Ion Mobility-Mass Spectrometry

Exploring the Conformational Landscape of Poly(L-lysine) Dendrimers using Ion Mobility Mass Spectrometry

7 results in Keywords: Collision Cross Section