(Q41889848)

13 October 2017

Small Molecule Identification with MOLGEN and Mass Spectrometry (English)

1 reference

13 October 2017

2

1 reference

13 October 2017

Markus Meringer

1

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language of work or name

English

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publication date

28 May 2013

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13 October 2017

1 reference

13 October 2017

3

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13 October 2017

440-462

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13 October 2017

2

1 reference

Creative Commons Attribution 4.0 International

13 October 2017

start time

28 May 2013

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

CASMI: And the Winner is . .

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

Applying Tandem Mass Spectral Libraries for Solving the Critical Assessment of Small Molecule Identification (CASMI) LC/MS Challenge 2012.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

Automatic recalibration and processing of tandem mass spectra using formula annotation

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

OMG: Open Molecule Generator

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

Open Babel: An open chemical toolbox

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

Computing fragmentation trees from tandem mass spectrometry data

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

In silico fragmentation for computer assisted identification of metabolite mass spectra

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

Database supported candidate search for metabolite identification.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

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

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

Matching structures to mass spectra using fragmentation patterns: are the results as good as they look?

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

The use of MS classifiers and structure generation to assist in the identification of unknowns in effect-directed analysis

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901272

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

18 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.3390%2FMETABO3020440

Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.3390%2FMETABO3020440

CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.3390%2FMETABO3020440

Phytochemistry meets genome analysis, and beyond

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24958000

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

MOLecular structure GENeration with MOLGEN, new features and future developments

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.3390/METABO3020440

Mass Spectral Classifiers for Supporting Systematic Structure Elucidation†

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.3390/METABO3020440

Identifiers

DOI

10.3390/METABO3020440

1 reference

release_pu3gc25qqra37cmefpu3go5g2a

13 October 2017

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/pu3gc25qqra37cmefpu3go5g2a

mapped directly with Wikidata item

24 November 2022

based on heuristic

PMCID

3901272

1 reference

13 October 2017

1 reference

PMCID

3901272