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A complete workflow for high-resolution spectral-stitching nanoelectrospray direct-infusion mass-spectrometry-based metabolomics and lipidomics

Nature protocols, 2017-02, Vol.12 (2), p.310-328

2017

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Simultaneously discovering the fate and biochemical effects of pharmaceuticals through untargeted metabolomics

Nature communications, 2023-08, Vol.14 (1), p.4653-4653, Article 4653

2023

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Exo-metabolome of Pseudovibrio sp. FO-BEG1 analyzed by ultra-high resolution mass spectrometry and the effect of phosphate limitation

PloS one, 2014-05, Vol.9 (5), p.e96038

2014

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Characterization of Isotopic Abundance Measurements in High Resolution FT-ICR and Orbitrap Mass Spectra for Improved Confidence of Metabolite Identification

Analytical chemistry (Washington), 2011-05, Vol.83 (10), p.3737-3743

2011

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msPurity: Automated Evaluation of Precursor Ion Purity for Mass Spectrometry-Based Fragmentation in Metabolomics

Analytical chemistry (Washington), 2017-02, Vol.89 (4), p.2432-2439

2017

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Lipidome characterisation and sex-specific differences in type 1 and type 2 diabetes mellitus

Cardiovascular diabetology, 2024-03, Vol.23 (1), p.109-13, Article 109

2024

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Galaxy-M: a Galaxy workflow for processing and analyzing direct infusion and liquid chromatography mass spectrometry-based metabolomics data

Gigascience, 2016-02, Vol.5 (1), p.10-10, Article 10

2016

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The Lipidomic Profile Is Associated with the Dietary Pattern in Subjects with and without Diabetes Mellitus from a Mediterranean Area

Nutrients, 2024-06, Vol.16 (12), p.1805

2024

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Use cases, best practice and reporting standards for metabolomics in regulatory toxicology

Nature communications, 2019-07, Vol.10 (1), p.3041-10, Article 3041

2019

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Non-targeted UHPLC-MS metabolomic data processing methods: a comparative investigation of normalisation, missing value imputation, transformation and scaling

Metabolomics, 2016-05, Vol.12 (5), p.93-93, Article 93

2016

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Assessment of human plasma and urine sample preparation for reproducible and high-throughput UHPLC-MS clinical metabolic phenotyping

Analyst (London), 2020-10, Vol.145 (2), p.6511-6523

2020

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Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

Metabolomics, 2013-03, Vol.9 (Suppl 1), p.44-66

2013

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Characterization of Monophasic Solvent-Based Tissue Extractions for the Detection of Polar Metabolites and Lipids Applying Ultrahigh-Performance Liquid Chromatography–Mass Spectrometry Clinical Metabolic Phenotyping Assays

Journal of proteome research, 2021-01, Vol.20 (1), p.831-840

2021

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Acoustic Mist Ionization Mass Spectrometry for Ultrahigh-Throughput Metabolomics Screening

Analytical chemistry (Washington), 2021-07, Vol.93 (26), p.9258-9266

2021

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Discriminating between Different Acute Chemical Toxicities via Changes in the Daphnid Metabolome

Toxicological sciences, 2010-11, Vol.118 (1), p.307-317

2010

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Derivation of metabolic point of departure using high-throughput in vitro metabolomics: investigating the importance of sampling time points on benchmark concentration values in the HepaRG cell line

Archives of toxicology, 2023-03, Vol.97 (3), p.721-735

2023

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An integrated host-microbiome response to atrazine exposure mediates toxicity in Drosophila

Communications biology, 2021-11, Vol.4 (1), p.1324-12, Article 1324

2021

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Multi-omics bioactivity profile-based chemical grouping and read-across: a case study with Daphnia magna and azo dyes

Archives of toxicology, 2024-08, Vol.98 (8), p.2577-2588

2024

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A new approach to toxicity testing in Daphnia magna: application of high throughput FT-ICR mass spectrometry metabolomics

Metabolomics, 2009-03, Vol.5 (1), p.44-58

2009

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Integrating in vitro metabolomics with a 96-well high-throughput screening platform

Metabolomics, 2022-01, Vol.18 (1), p.11-11, Article 11

2022

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The metaRbolomics Toolbox in Bioconductor and beyond

Metabolites, 2019-09, Vol.9 (10), p.200

2019

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Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy

Metabolomics, 2017-02, Vol.13 (2), p.12-12, Article 12

2017

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Environmentally Relevant Iron Oxide Nanoparticles Produce Limited Acute Pulmonary Effects in Rats at Realistic Exposure Levels

International journal of molecular sciences, 2021-01, Vol.22 (2), p.556

2021

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Direct infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality control

Scientific data, 2014-06, Vol.1 (1), p.140012-140012, Article 140012

2014

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mzML2ISA & nmrML2ISA: generating enriched ISA-Tab metadata files from metabolomics XML data

Bioinformatics (Oxford, England), 2017-08, Vol.33 (16), p.2598-2600

2017

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A complete workflow for high-resolution spectral-stitching nanoelectrospray direct-infusion mass-spectrometry-based metabolomics and lipidomics

Simultaneously discovering the fate and biochemical effects of pharmaceuticals through untargeted metabolomics

Exo-metabolome of Pseudovibrio sp. FO-BEG1 analyzed by ultra-high resolution mass spectrometry and the effect of phosphate limitation

Characterization of Isotopic Abundance Measurements in High Resolution FT-ICR and Orbitrap Mass Spectra for Improved Confidence of Metabolite Identification

msPurity: Automated Evaluation of Precursor Ion Purity for Mass Spectrometry-Based Fragmentation in Metabolomics

Lipidome characterisation and sex-specific differences in type 1 and type 2 diabetes mellitus

Galaxy-M: a Galaxy workflow for processing and analyzing direct infusion and liquid chromatography mass spectrometry-based metabolomics data

The Lipidomic Profile Is Associated with the Dietary Pattern in Subjects with and without Diabetes Mellitus from a Mediterranean Area

Use cases, best practice and reporting standards for metabolomics in regulatory toxicology

Non-targeted UHPLC-MS metabolomic data processing methods: a comparative investigation of normalisation, missing value imputation, transformation and scaling

Assessment of human plasma and urine sample preparation for reproducible and high-throughput UHPLC-MS clinical metabolic phenotyping

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

Characterization of Monophasic Solvent-Based Tissue Extractions for the Detection of Polar Metabolites and Lipids Applying Ultrahigh-Performance Liquid Chromatography–Mass Spectrometry Clinical Metabolic Phenotyping Assays

Acoustic Mist Ionization Mass Spectrometry for Ultrahigh-Throughput Metabolomics Screening

Discriminating between Different Acute Chemical Toxicities via Changes in the Daphnid Metabolome

Derivation of metabolic point of departure using high-throughput in vitro metabolomics: investigating the importance of sampling time points on benchmark concentration values in the HepaRG cell line

An integrated host-microbiome response to atrazine exposure mediates toxicity in Drosophila

Multi-omics bioactivity profile-based chemical grouping and read-across: a case study with Daphnia magna and azo dyes

A new approach to toxicity testing in Daphnia magna: application of high throughput FT-ICR mass spectrometry metabolomics

Integrating in vitro metabolomics with a 96-well high-throughput screening platform

The metaRbolomics Toolbox in Bioconductor and beyond

Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy

Environmentally Relevant Iron Oxide Nanoparticles Produce Limited Acute Pulmonary Effects in Rats at Realistic Exposure Levels

Direct infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality control

mzML2ISA & nmrML2ISA: generating enriched ISA-Tab metadata files from metabolomics XML data

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