Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa (Q31040656)

16 October 2017

Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa (English)

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16 October 2017

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Lars Ridder

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Justin J J van der Hooft

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2

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Justin J J van der Hooft

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16 October 2017

Stefan Verhoeven

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Lars Ridder

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16 October 2017

2 July 2014

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Mass spectrometry. vol. 2 (2013)

16 October 2017

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16 October 2017

3

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16 October 2017

Spec Iss 2

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16 October 2017

S0033

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The Critical Assessment of Small Molecule Identification (CASMI): Challenges and Solutions

16 October 2017

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

Computational mass spectrometry for metabolomics: identification of metabolites and small molecules

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

In silico fragmentation for computer assisted identification of metabolite mass spectra

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

IsoScore: automated localization of biotransformations by mass spectrometry using product ion scoring of virtual regioisomers

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

Automatic chemical structure annotation of an LC-MS(n) based metabolic profile from green tea.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

Substructure-based annotation of high-resolution multistage MS(n) spectral trees.

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

Database supported candidate search for metabolite identification.

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

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

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

Enhanced metabolite identification with MS(E) and a semi-automated software for structural elucidation

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

SIRIUS: decomposing isotope patterns for metabolite identification

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

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

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

Determination of flavone, flavonol, and flavanone aglycones by negative ion liquid chromatography electrospray ion trap mass spectrometry

25 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4321337

Structural elucidation of low abundant metabolites in complex sample matrices

25 November 2018

2 references

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1007/S11306-013-0519-8

5 May 2024

https://opencitations.net/index/api/v1/references/10.5702/MASSSPECTROMETRY.S0033

Computational mass spectrometry for small-molecule fragmentation

2 references

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1016/J.TRAC.2013.09.008

5 May 2024

https://opencitations.net/index/api/v1/references/10.5702/MASSSPECTROMETRY.S0033

Identifiers

DOI

10.5702/MASSSPECTROMETRY.S0033

1 reference

16 October 2017

1 reference

16 October 2017

1 reference

PMCID

4321337