(Q27887476)

metabolite identification

4 February 2023

7

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Steffen Neumann

9

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Rainer Breitling

Rainer Breitling

6

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Joachim Kopka

Joachim Kopka

10

0 references

Roy Goodacre

8

Royston Goodacre

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Warwick Dunn

1

Warwick B. Dunn

0 references

Mark R. Viant

11

Mark R. Viant

0 references

Alexander Erban

2

Alexander Erban

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Ralf J M Weber

3

Ralf J. M. Weber

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author name string

Darren J. Creek

4

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Marie Brown

https://scigraph.springernature.com/pub.10.1007/s11306-012-0434-4

5

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publication date

26 May 2012

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1 reference

9

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page(s)

44-66

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issue

S1

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exact match

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cites work

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Serum lipidomics profiling using LC-MS and high-energy collisional dissociation fragmentation: focus on triglyceride detection and characterization

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Comprehensive chemical derivatization for gas chromatography-mass spectrometry-based multi-targeted profiling of the major phytohormones

21 January 2018

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Metabolome analysis: the potential of in vivo labeling with stable isotopes for metabolite profiling

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NMR-based microbial metabolomics and the temperature-dependent coral pathogen Vibrio coralliilyticus

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Ab initio prediction of metabolic networks using Fourier transform mass spectrometry data

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Mass spectrometry tools and metabolite-specific databases for molecular identification in metabolomics

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Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

21 January 2018

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Localization of fatty acyl and double bond positions in phosphatidylcholines using a dual stage CID fragmentation coupled with ion mobility mass spectrometry

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Toward global metabolomics analysis with hydrophilic interaction liquid chromatography-mass spectrometry: improved metabolite identification by retention time prediction

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IDEOM: an Excel interface for analysis of LC-MS-based metabolomics data

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1H NMR and UPLC-MS(E) statistical heterospectroscopy: characterization of drug metabolites (xenometabolome) in epidemiological studies

21 January 2018

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Lotus japonicus metabolic profiling. Development of gas chromatography-mass spectrometry resources for the study of plant-microbe interactions

21 January 2018

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Metabolite signal identification in accurate mass metabolomics data with MZedDB, an interactive m/z annotation tool utilising predicted ionisation behaviour 'rules'.

21 January 2018

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Current trends and future requirements for the mass spectrometric investigation of microbial, mammalian and plant metabolomes

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Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy

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Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

21 January 2018

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Changes in the metabolic footprint of placental explant-conditioned culture medium identifies metabolic disturbances related to hypoxia and pre-eclampsia.

21 January 2018

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Spectral accuracy of molecular ions in an LTQ/Orbitrap mass spectrometer and implications for elemental composition determination

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Method for small-molecule discovery based on microscale-preparative multidimensional gas chromatography isolation with nuclear magnetic resonance spectroscopy.

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Integrated metabolite and transcript profiling identify a biosynthetic mechanism for hispidol in Medicago truncatula cell cultures.

21 January 2018

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Dual labeling of metabolites for metabolome analysis (DLEMMA): A new approach for the identification and relative quantification of metabolites by means of dual isotope labeling and liquid chromatography-mass spectrometry

21 January 2018

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Electrospray ionization for mass spectrometry of large biomolecules

21 January 2018

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Combining genomics, metabolome analysis, and biochemical modelling to understand metabolic networks

21 January 2018

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Metabolomics – the link between genotypes and phenotypes

21 January 2018

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Metabolite profiling for plant functional genomics

21 January 2018

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High-throughput, accurate mass metabolome profiling of cellular extracts by flow injection-time-of-flight mass spectrometry.

21 January 2018

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High-Resolution Direct Infusion-Based Mass Spectrometry in Combination with Whole13C Metabolome Isotope Labeling Allows Unambiguous Assignment of Chemical Sum Formulas

21 January 2018

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Derivatization in Mass Spectrometry—1. Silylation

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FiD: a software for ab initio structural identification of product ions from tandem mass spectrometric data

21 January 2018

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A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology

21 January 2018

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Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra.

21 January 2018

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msCompare: a framework for quantitative analysis of label-free LC-MS data for comparative candidate biomarker studies

21 January 2018

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Post analysis data acquisition for the iterative MS/MS sampling of proteomics mixtures

21 January 2018

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MassBank: a public repository for sharing mass spectral data for life sciences

21 January 2018

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Modulation of the major paths of carbon in photorespiratory mutants of synechocystis

21 January 2018

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GC-EI-TOF-MS analysis of in vivo carbon-partitioning into soluble metabolite pools of higher plants by monitoring isotope dilution after 13CO2 labelling

21 January 2018

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Decision tree supported substructure prediction of metabolites from GC-MS profiles

21 January 2018

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Metabolite annotations based on the integration of mass spectral information

21 January 2018

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Enhancement of xylose uptake in 2-deoxyglucose tolerant mutant of Saccharomyces cerevisiae.

21 January 2018

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KEGG for representation and analysis of molecular networks involving diseases and drugs

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Strategy for the elucidation of elemental compositions of trace analytes based on a mass resolution of 100,000 full width at half maximum.

21 January 2018

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Robust early pregnancy prediction of later preeclampsia using metabolomic biomarkers

21 January 2018

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

21 January 2018

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

21 January 2018

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

21 January 2018

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Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms

21 January 2018

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Genome-minimized Streptomyces host for the heterologous expression of secondary metabolism

21 January 2018

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Current challenges and developments in GC-MS based metabolite profiling technology

21 January 2018

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GMD@CSB.DB: the Golm Metabolome Database

21 January 2018

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CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets

21 January 2018

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Applying in-silico retention index and mass spectra matching for identification of unknown metabolites in accurate mass GC-TOF mass spectrometry

21 January 2018

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Mass spectrometry strategies in metabolomics

21 January 2018

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Gas chromatography mass spectrometry–based metabolite profiling in plants

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11306-012-0434-4

Proline betaine and its biotransformation products in fasting urine samples are potential biomarkers of habitual citrus fruit consumption

21 January 2018

1 reference

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A comparison of self-reported analgesic use and detection of urinary ibuprofen and acetaminophen metabolites by means of metabonomics: the INTERMAP Study

21 January 2018

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LC-MS-based metabonomics analysis

21 January 2018

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Metabolome and water homeostasis analysis of Thellungiella salsuginea suggests that dehydration tolerance is a key response to osmotic stress in this halophyte

21 January 2018

1 reference

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Assessment of metabolome annotation quality: a method for evaluating the false discovery rate of elemental composition searches

21 January 2018

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Automated procedure for candidate compound selection in GC-MS metabolomics based on prediction of Kovats retention index.

21 January 2018

1 reference

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A strategy for the determination of the elemental composition by fourier transform ion cyclotron resonance mass spectrometry based on isotopic peak ratios

21 January 2018

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Nearline acquisition and processing of liquid chromatography-tandem mass spectrometry data

21 January 2018

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https://api.crossref.org/works/10.1007%2FS11306-012-0434-4

KEGG: Kyoto Encyclopedia of Genes and Genomes

21 January 2018

1 reference

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Dysregulation of lipid and amino acid metabolism precedes islet autoimmunity in children who later progress to type 1 diabetes

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11306-012-0434-4

(1)H NMR-based metabonomic investigation of the effect of two different exercise sessions on the metabolic fingerprint of human urine

21 January 2018

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UPLC/MS(E); a new approach for generating molecular fragment information for biomarker structure elucidation

21 January 2018

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Metabolic footprinting as a tool for discriminating between brewing yeasts

21 January 2018

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21 January 2018

CE-MS in metabolomics

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Metabolic profiling allows comprehensive phenotyping of genetically or environmentally modified plant systems

21 January 2018

1 reference

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Probabilistic assignment of formulas to mass peaks in metabolomics experiments

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11306-012-0434-4

Elemental composition determination based on MSn

21 January 2018

1 reference

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GC-MS libraries for the rapid identification of metabolites in complex biological samples

21 January 2018

1 reference

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PeakML/mzMatch: a file format, Java library, R library, and tool-chain for mass spectrometry data analysis

21 January 2018

1 reference

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Increasing the mass accuracy of high-resolution LC-MS data using background ions: a case study on the LTQ-Orbitrap

21 January 2018

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Adduct formation in electrospray ionization mass spectrometry II. Benzoic acid derivatives

21 January 2018

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Consensus Structure Elucidation Combining GC/EI-MS, Structure Generation, and Calculated Properties

21 January 2018

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Automated strategies to identify compounds on the basis of GC/EI-MS and calculated properties

21 January 2018

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Determination of ion structures in structurally related compounds using precursor ion fingerprinting

21 January 2018

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Analytical platform for metabolome analysis of microbial cells using methyl chloroformate derivatization followed by gas chromatography-mass spectrometry.

21 January 2018

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Quantitative Metabolome Analysis Using Capillary Electrophoresis Mass Spectrometry

21 January 2018

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Dynamic range and mass accuracy of wide-scan direct infusion nanoelectrospray fourier transform ion cyclotron resonance mass spectrometry-based metabolomics increased by the spectral stitching method.

21 January 2018

1 reference

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Isotope pattern evaluation for the reduction of elemental compositions assigned to high-resolution mass spectral data from electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

21 January 2018

1 reference

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Retention index thresholds for compound matching in GC-MS metabolite profiling

21 January 2018

1 reference

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LMSD: LIPID MAPS structure database

21 January 2018

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Large-scale prediction of cationic metabolite identity and migration time in capillary electrophoresis mass spectrometry using artificial neural networks.

21 January 2018

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Proposed minimum reporting standards for chemical analysis

21 January 2018

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A novel approach for nontargeted data analysis for metabolomics. Large-scale profiling of tomato fruit volatiles.

21 January 2018

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Polyphenol identification based on systematic and robust high-resolution accurate mass spectrometry fragmentation

21 January 2018

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https://api.crossref.org/works/10.1007%2FS11306-012-0434-4

Microbial metabolomics: toward a platform with full metabolome coverage.

21 January 2018

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Recent developments in environmental metabolomics

21 January 2018

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Performance evaluation of gas chromatography-atmospheric pressure chemical ionization-time-of-flight mass spectrometry for metabolic fingerprinting and profiling

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11306-012-0434-4

Construction and application of a mass spectral and retention time index database generated from plant GC/EI-TOF-MS metabolite profiles

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11306-012-0434-4

Preparative Isolation and Purification of Flavone C-Glycosides from the Leaves of Ficus microcarpa L. f by Medium-Pressure Liquid Chromatography, High-Speed Countercurrent Chromatography, and Preparative Liquid Chromatography

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS11306-012-0434-4

Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites

21 January 2018

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TARDIS-based microbial metabolomics: time and relative differences in systems

21 January 2018

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Advances in metabolite identification

21 January 2018

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DrugBank: a comprehensive resource for in silico drug discovery and exploration

21 January 2018

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In silico fragmentation for computer assisted identification of metabolite mass spectra

21 January 2018

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https://api.crossref.org/works/10.1007%2FS11306-012-0434-4

Metabolomics-driven quantitative analysis of ammonia assimilation in E. coli

21 January 2018

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Metabolomics standards initiative: ontology working group work in progress

21 January 2018

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

21 January 2018

1 reference

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

21 January 2018

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MI-Pack: Increased confidence of metabolite identification in mass spectra by integrating accurate masses and metabolic pathways

21 January 2018

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HILIC-UPLC-MS for Exploratory Urinary Metabolic Profiling in Toxicological Studies

21 January 2018

1 reference

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Comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry (GC × GC-TOF) for high resolution metabolomics: biomarker discovery on spleen tissue extracts of obese NZO compared to lean C57BL/6 mice

21 January 2018

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Untargeted large-scale plant metabolomics using liquid chromatography coupled to mass spectrometry

21 January 2018

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10.1007/S11306-012-0434-4

21 January 2018

Identifiers

DOI

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1890157

Dimensions Publication ID

1002880572

0 references

OpenCitations bibliographic resource ID

1890157

1 reference