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FragHub: A mass spectral libraries data integration workflow

Axel Dablanc, Solweig Hennechart, Amélie Perez, Guillaume Cabanac, Yann Guitton, Emilien Jamin, Bernard Lyan, Nils Paulhe, Franck Giacomoni, Guillaume Marti

Version 3 posted 26 April 2024

518

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Catalysis

Working Paper

Prediction of enantioselectivity by monitoring reaction intermediates

Roelant Hilgers, Sin Yong Teng, Anamarija Bris, Aleksandr Y. Pereverzev, Paul White, Jeroen Jansen, Jana Roithova

Version 1 posted 13 April 2022

375

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Analytical Chemistry

Working Paper

Trace Residue Identification, Characterization and Longitudinal Monitoring of the Novel Synthetic Opioid β-U10, from Discarded Drug Paraphernalia

Henry West, John Fitzgerald, Katherine Hopkins, Michael Leeming, Matthew Di Rago, Dimitri Gerostamoulos, Nicolas Clark, Paul Dietze, Jonathan White, James Ziogas, Gavin Reid

Version 1 posted 09 March 2022

228

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Analytical Chemistry

Working Paper

Microprobe-Capture In-Emitter Elution: An Affinity Capture Technique to Directly Couple a Label-Free Optical Sensing Technology with Mass Spectrometry for Top-Down Protein Analysis

Ruben Yiqi Luo, Samuel Yang

Version 4 posted 19 January 2023

439

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Chemical Engineering and Industrial Chemistry

Working Paper

Emergent chemical behavior in mixed food and lignocellulosic green waste hydrothermal liquefaction

Heather LeClerc, Jeffrey Page, Geoffrey Tompsett, Sydney Niles, Amy McKenna, Julia Valla, Michael Timko, Andrew Teixeira

Version 1 posted 14 October 2022

219

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Analytical Chemistry

Working Paper

Updates to the Inverted Library Search Algorithm for Mixture Analysis

Arun Moorthy, Stephen Tennyson, Edward Sisco

Version 1 posted 23 March 2022

246

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Catalysis

Working Paper

Direct Analysis of Biotransformations with Mass Spectrometry – DiBT-MS

Ruth Knox, Emily Kempa, Reynard Spiess, Christian Schnepel, Sabine Flitsch, Perdita Barran, Nicholas Turner

Version 1 posted 30 June 2022

422

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Analytical Chemistry

Working Paper

Discovery and Identification of New Amino Acid-Conjugated Bile Acids by Polarity-Switching Multiple Reaction Monitoring Mass Spectrometry

Yan-Zhen Wang, Peng-Cheng Mei, Pei-Rong Bai, Na An, Jin-Gang He, Jie Wang, Quan-Fei Zhu, Yu-Qi Feng

Version 1 posted 21 June 2022

548

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Physical Chemistry

Working Paper

Actinic Wavelength Action Spectroscopy of the IO− Reaction Intermediate

Benjamin McKinnon, Samuel Marlton, Boris Ucur, Evan Bieske, Berwyck Poad, Stephen Blanksby, Adam Trevitt

Version 1 posted 01 September 2021

314

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Organic Chemistry

Working Paper

Sublimation Thermodynamics of 5,10,15,20–Tetraphenyl-21-X, 23-Y-Heteroporphyrins (X=O or S; Y= N or S). The Molecular structure of 5,10,15,20-Tetraphenyl-21-thiaporphyrin

Ilya Kuzmin, Sergey Shlykov, Alexander Krasnov, Svetlana Pukhovskaya, Sergey Syrbu, Yulia Ivanova

Version 1 posted 25 April 2023

149

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20 results in mass spectrometry in Keywords: mass spectrometry

FragHub: A mass spectral libraries data integration workflow

Prediction of enantioselectivity by monitoring reaction intermediates

Trace Residue Identification, Characterization and Longitudinal Monitoring of the Novel Synthetic Opioid β-U10, from Discarded Drug Paraphernalia

Microprobe-Capture In-Emitter Elution: An Affinity Capture Technique to Directly Couple a Label-Free Optical Sensing Technology with Mass Spectrometry for Top-Down Protein Analysis

Emergent chemical behavior in mixed food and lignocellulosic green waste hydrothermal liquefaction

Updates to the Inverted Library Search Algorithm for Mixture Analysis

Direct Analysis of Biotransformations with Mass Spectrometry – DiBT-MS

Discovery and Identification of New Amino Acid-Conjugated Bile Acids by Polarity-Switching Multiple Reaction Monitoring Mass Spectrometry

Actinic Wavelength Action Spectroscopy of the IO− Reaction Intermediate

Sublimation Thermodynamics of 5,10,15,20–Tetraphenyl-21-X, 23-Y-Heteroporphyrins (X=O or S; Y= N or S). The Molecular structure of 5,10,15,20-Tetraphenyl-21-thiaporphyrin

20 results in Keywords: mass spectrometry