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Metabolomics by Gas Chromatography–Mass Spectrometry: Combined Targeted and Untargeted Profiling

Current protocols in molecular biology (Print), 2016-04, Vol.114 (1), p.30.4.1-30.4.32

Fiehn, Oliver

2016

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Toward Merging Untargeted and Targeted Methods in Mass Spectrometry-Based Metabolomics and Lipidomics

Analytical chemistry (Washington), 2016-01, Vol.88 (1), p.524-545

2016

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Chemical Similarity Enrichment Analysis (ChemRICH) as alternative to biochemical pathway mapping for metabolomic datasets

Scientific reports, 2017-11, Vol.7 (1), p.14567-11, Article 14567

2017

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Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach

Environmental health perspectives, 2019-09, Vol.127 (9), p.97008

2019

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Extending the breadth of metabolite profiling by gas chromatography coupled to mass spectrometry

TrAC, Trends in analytical chemistry (Regular ed.), 2008-03, Vol.27 (3), p.261-269

Fiehn, Oliver

2008

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Metabolomics--the link between genotypes and phenotypes

Plant molecular biology, 2002-01, Vol.48 (1-2), p.155-171

Fiehn, Oliver

2002

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Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics

TrAC, Trends in analytical chemistry (Regular ed.), 2015-06, Vol.69, p.52-61

2015

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Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

BMC bioinformatics, 2007-03, Vol.8 (1), p.105-105, Article 105

2007

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Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography–High-Resolution Mass Spectrometry Platforms

Analytical chemistry (Washington), 2017-11, Vol.89 (22), p.12360-12368

2017

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Metabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppm

BMC bioinformatics, 2006-04, Vol.7 (1), p.234-234, Article 234

2006

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LC-MS-Based Lipidomics and Automated Identification of Lipids Using the LipidBlast In-Silico MS/MS Library

Methods in molecular biology (Clifton, N.J.), 2017-01, Vol.1609, p.149

2017

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Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics

Metabolites, 2018-05, Vol.8 (2), p.31

2018

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Mass spectral fragmentation of trimethylsilylated small molecules

Mass spectrometry reviews, 2018-05, Vol.37 (3), p.245-257

2018

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Increasing lipidomic coverage by selecting optimal mobile-phase modifiers in LC–MS of blood plasma

Metabolomics, 2016-02, Vol.12 (2), p.1, Article 34

2016

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Integrating bioinformatics approaches for a comprehensive interpretation of metabolomics datasets

Current opinion in biotechnology, 2018-12, Vol.54, p.1-9

2018

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MetaMapR: pathway independent metabolomic network analysis incorporating unknowns

Bioinformatics, 2015-08, Vol.31 (16), p.2757-2760

2015

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Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools

Nucleic acids research, 2016-01, Vol.44 (D1), p.D463-D470

2016

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Identification of small molecules using accurate mass MS/MS search

Mass spectrometry reviews, 2018-07, Vol.37 (4), p.513-532

2018

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Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification

Nature methods, 2021-12, Vol.18 (12), p.1524-1531

2021

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Adipocyte-Induced FABP4 Expression in Ovarian Cancer Cells Promotes Metastasis and Mediates Carboplatin Resistance

Cancer research (Chicago, Ill.), 2020-04, Vol.80 (8), p.1748-1761

2020

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IDSL.GOA: gene ontology analysis for interpreting metabolomic datasets

Scientific reports, 2024-01, Vol.14 (1), p.1299-6, Article 1299

2024

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A Cardiovascular Disease-Linked Gut Microbial Metabolite Acts via Adrenergic Receptors

Cell, 2020-03, Vol.180 (5), p.862-877.e22

2020

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FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry

Analytical chemistry (Washington), 2009-12, Vol.81 (24), p.10038-10048

2009

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The volatile compound BinBase mass spectral database

BMC bioinformatics, 2011-08, Vol.12 (1), p.321-321, Article 321

2011

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Metabox: A Toolbox for Metabolomic Data Analysis, Interpretation and Integrative Exploration

PloS one, 2017-01, Vol.12 (1), p.e0171046-e0171046

2017

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Metabolomics by Gas Chromatography–Mass Spectrometry: Combined Targeted and Untargeted Profiling

Toward Merging Untargeted and Targeted Methods in Mass Spectrometry-Based Metabolomics and Lipidomics

Chemical Similarity Enrichment Analysis (ChemRICH) as alternative to biochemical pathway mapping for metabolomic datasets

Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach

Extending the breadth of metabolite profiling by gas chromatography coupled to mass spectrometry

Metabolomics--the link between genotypes and phenotypes

Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

Validating Quantitative Untargeted Lipidomics Across Nine Liquid Chromatography–High-Resolution Mass Spectrometry Platforms

Metabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppm

LC-MS-Based Lipidomics and Automated Identification of Lipids Using the LipidBlast In-Silico MS/MS Library

Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics

Mass spectral fragmentation of trimethylsilylated small molecules

Increasing lipidomic coverage by selecting optimal mobile-phase modifiers in LC–MS of blood plasma

Integrating bioinformatics approaches for a comprehensive interpretation of metabolomics datasets

MetaMapR: pathway independent metabolomic network analysis incorporating unknowns

Metabolomics Workbench: An international repository for metabolomics data and metadata, metabolite standards, protocols, tutorials and training, and analysis tools

Identification of small molecules using accurate mass MS/MS search

Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification

Adipocyte-Induced FABP4 Expression in Ovarian Cancer Cells Promotes Metastasis and Mediates Carboplatin Resistance

IDSL.GOA: gene ontology analysis for interpreting metabolomic datasets

A Cardiovascular Disease-Linked Gut Microbial Metabolite Acts via Adrenergic Receptors

FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry

The volatile compound BinBase mass spectral database

Metabox: A Toolbox for Metabolomic Data Analysis, Interpretation and Integrative Exploration

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