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Analytical Chemistry

Working Paper

SEISMiQ: de novo impurity structure elucidation from tandem mass spectra boosts drug development

Emilio Dorigatti, Jonathan Groß, Jonas Kühlborn, Robert Möckel, Frank Maier, Julian Keupp

Version 1 posted 04 March 2025

238

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Catalysis

Working Paper

A Mechanistic Investigation of the Suzuki Polycondensation Reaction Using MS/MS Methods

Michelle Ting, Lars Yunker, Ian Chagunda, Katherine Hatlelid, Meghan Vieweg, J Scott McIndoe

Version 1 posted 21 April 2021

267

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Analytical Chemistry

Working Paper

Fast Fragmentation During Surface-Induced Dissociation: An Examination of Peptide Size and Structure

George Barnes, Amanda Shlaferman, Monica Strain

Version 3 posted 12 June 2020

673

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Analytical Chemistry

Review

Ion Mobility Mass Spectrometry for Synthetic Molecules: Expanding the Analytical Toolbox

Niklas Geue, Richard E.P. Winpenny, Perdita Barran

Version 1 posted 10 January 2024

372

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Earth, Space, and Environmental Chemistry

Working Paper

Mass difference matching unfolds hidden molecular structures of dissolved organic matter

Carsten Simon, Kai Dührkop, Daniel Petras, Vanessa-Nina Roth, Sebastian Böcker, Pieter Dorrestein, Gerd Gleixner

Version 3 posted 06 June 2022

806

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Analytical Chemistry

Working Paper

Evidence of Gas-phase Pyranose-to-furanose Isomerization in Protonated Peptidoglycans

Shanshan Guan, Benjamin Bythell

Version 1 posted 04 August 2021

203

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Organic Chemistry

Working Paper

Sequence-sorted redox-switchable hetero[3]rotaxanes

Marius Gaedke, Henrik Hupatz, Felix Witte, Susanne Margot Rupf, Clara Douglas, Hendrik V. Schröder, Lukas Fischer, Moritz Malischewski, Beate Paulus, Christoph A. Schalley

Version 2 posted 25 August 2021

369

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Physical Chemistry

Working Paper

Conformational Dynamics and Energetics of Carbon Nanohoops and their Ring-In-Ring Complexes

Niklas Geue, Markus Freiberger, Stefan Frühwald, Andreas Görling, Thomas Drewello, Perdita Barran

Version 1 posted 30 April 2024

286

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Analytical Chemistry

Working Paper

LSM1-MS2: A Foundation Model for MS/MS, Encompassing Chemical Property Predictions, Search and de novo Generation

Gabriel Asher, Mimoun Cadosh Delmar, Jennifer M. Campbell, Jack Geremia, Timothy Kassis

Version 3 posted 06 June 2024

1,588

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Analytical Chemistry

Working Paper

Autonomous Dissociation-type Selection for Glycoproteomics using a Real-Time Library Search

Emmajay Sutherland, Tim S. Veth, William D. Barshop, Jacob H. Russell, Kathryn Kothlow, Jesse D. Canterbury, Christopher Mullen, David Bergen, Jingjing Huang, Vlad Zabrouskov, Romain Huguet, Graeme C. McAlister, Nicholas M. Riley

Version 1 posted 26 August 2024

536

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12 results in tandem mass spectrometry in Keywords: tandem mass spectrometry

SEISMiQ: de novo impurity structure elucidation from tandem mass spectra boosts drug development

A Mechanistic Investigation of the Suzuki Polycondensation Reaction Using MS/MS Methods

Fast Fragmentation During Surface-Induced Dissociation: An Examination of Peptide Size and Structure

Ion Mobility Mass Spectrometry for Synthetic Molecules: Expanding the Analytical Toolbox

Mass difference matching unfolds hidden molecular structures of dissolved organic matter

Evidence of Gas-phase Pyranose-to-furanose Isomerization in Protonated Peptidoglycans

Sequence-sorted redox-switchable hetero[3]rotaxanes

Conformational Dynamics and Energetics of Carbon Nanohoops and their Ring-In-Ring Complexes

LSM1-MS2: A Foundation Model for MS/MS, Encompassing Chemical Property Predictions, Search and de novo Generation

Autonomous Dissociation-type Selection for Glycoproteomics using a Real-Time Library Search

12 results in Keywords: tandem mass spectrometry