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Analytical Chemistry

Working Paper

AccuCor2 Isotope Natural Abundance Correction for Dual-Isotope Tracer Experiments

Yujue Wang, Lance Parsons, Xiaoyang Su

Version 1 posted 26 March 2021

195

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Analytical Chemistry

Working Paper

In-Source CID Ramping (InCIDR) and Co-Variant Ion Analysis of Hydrophilic Interaction Chromatography (HILIC) Metabolomics

Xiaoyang Su, Eric Chiles, Sara Maimouni, Fredric Wondisford, Wei-Xing zong, Chi Song

Version 1 posted 23 January 2020

622

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Theoretical and Computational Chemistry

Working Paper

Deep Generative Models Enable Navigation in Sparsely Populated Chemical Space

Michael A. Skinnider, R. Greg Stacey, David S. Wishart, Leonard J. Foster

Version 1 posted 27 January 2021

1,374

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3

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Analytical Chemistry

Working Paper

Spatially Offset Raman Spectroscopy (SORS) as analytical tool for the sustainable analysis of packed meat

Lyn Christiansen, Nele Paasch, Markus Weidner, Lara Cordsen, René Bachmann

Version 1 posted 19 September 2022

378

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1

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Analytical Chemistry

Working Paper

Sebum: a window into dysregulation of lipid metabolism in Parkinson’s disease

Eleanor Sinclair, Drupad Trivedi, Depanjan Sarkar, Caitlin Walton-Doyle, Joy Milne, Tilo Kunath, Anouk Rijs, Rob Debie, Royston Goodacre, Monty Silverdale, Perdita Barran

Version 2 posted 30 June 2020

1,991

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1

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Analytical Chemistry

Working Paper

A Mature ROMANCE: A Matter of Quantity and How Two Can Be Better than One

Santiago Codesido, Nicolas Drouin, Sabrina Ferre, Julie Schappler, Serge Rudaz, Víctor González-Ruiz

Version 1 posted 14 May 2020

499

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1

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Analytical Chemistry

Working Paper

A comprehensive non-targeted analysis study of the prenatal exposome

Dimitri Abrahamsson, Aolin Wang, Ting Jiang, Miaomiao Wang, Aditya Siddharth, Rachel Morello-Frosch, June-Soo Park, Marina Sirota, Tracey J. Woodruff, Dimitri Panagopoulos Abrahamsson

Version 2 posted 13 May 2021

638

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1

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Analytical Chemistry

Working Paper

An Open Platform for Large Scale LC-MS-Based Metabolomics

Matthew Lewis, Elena Chekmeneva, Stephane Camuzeaux, Caroline Sands, Ada Yuen, Mark David, Ash Salam, Katie Chappell, Benjamin Cooper, Gordon Haggart, Lynn Maslen, María Gómez-Romero, Verena Horneffer-van der Sluis, Gonçalo Correia, Zoltan Takats

Version 1 posted 01 February 2022

2,313

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6

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Analytical Chemistry

Working Paper

Spatial Metabolomics of the Human Kidney Using MALDI Trapped Ion Mobility Imaging Mass Spectrometry

Elizabeth Neumann, Lukasz Migas, Jamie L. Allen, Richard Caprioli, Raf Van de Plas, Jeffrey Spraggins

Version 2 posted 13 May 2020

955

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1

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Analytical Chemistry

Working Paper

Small Molecule Isotope Resolved Formula Enumeration: a Methodology for Assigning Isotopologues and Metabolites in Fourier Transform Mass Spectra

Hunter Moseley, Joshua Mitchell, Robert M Flight

Version 3 posted 28 May 2019

1,331

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57 results in Metabolomics in Keywords: Metabolomics

AccuCor2 Isotope Natural Abundance Correction for Dual-Isotope Tracer Experiments

In-Source CID Ramping (InCIDR) and Co-Variant Ion Analysis of Hydrophilic Interaction Chromatography (HILIC) Metabolomics

Deep Generative Models Enable Navigation in Sparsely Populated Chemical Space

Spatially Offset Raman Spectroscopy (SORS) as analytical tool for the sustainable analysis of packed meat

Sebum: a window into dysregulation of lipid metabolism in Parkinson’s disease

A Mature ROMANCE: A Matter of Quantity and How Two Can Be Better than One

A comprehensive non-targeted analysis study of the prenatal exposome

An Open Platform for Large Scale LC-MS-Based Metabolomics

Spatial Metabolomics of the Human Kidney Using MALDI Trapped Ion Mobility Imaging Mass Spectrometry

Small Molecule Isotope Resolved Formula Enumeration: a Methodology for Assigning Isotopologues and Metabolites in Fourier Transform Mass Spectra

57 results in Keywords: Metabolomics