(Q92742572)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

title

De Novo Molecular Formula Annotation and Structure Elucidation Using SIRIUS 4 (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

1

Marcus Ludwig

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

3

Kai Dührkop

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

5

Sebastian Böcker

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

4

Martin A Hoffmann

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

2

Markus Fleischauer

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

publication date

1 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

Methods in Molecular Biology

1 May 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

volume

2104

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

page(s)

185-207

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

1 May 2020

cites work

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-017-0220-4

MetFrag relaunched: incorporating strategies beyond in silico fragmentation

11 September 2021

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-016-0115-9

BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

5 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-018-0324-5

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics

9 October 2021

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI025584Y

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

30 October 2021

1 reference

30 November 2021

https://opencitations.net/index/coci/api/v1/citations/10.1038/NBT.3597

MINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-015-0087-1

Fragmentation trees reloaded

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-016-0116-8

Critical Assessment of Small Molecule Identification 2016: automated methods

3 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-017-0207-1

In silico fragmentation for computer assisted identification of metabolite mass spectra

3 January 2022

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1186/1471-2105-11-148

MZmine 2: modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1186/1471-2105-11-395

Searching molecular structure databases with tandem mass spectra using CSI:FingerID.

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1073/PNAS.1509788112

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1038/S41592-019-0344-8

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

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/978-1-0716-0239-3_11

Gas Chromatography-Tandem Mass Spectrometry of Lignin Pyrolyzates with Dopant-Assisted Atmospheric Pressure Chemical Ionization and Molecular Structure Search with CSI:FingerID

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/978-1-0716-0239-3_11

Bayesian networks for mass spectrometric metabolite identification via molecular fingerprints.

2 references

3 May 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/978-1-0716-0239-3_11

3 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1093/BIOINFORMATICS/BTY245

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

0 references

Hydrogen Rearrangement Rules: Computational MS/MS Fragmentation and Structure Elucidation Using MS-FINDER Software

0 references

YMDB 2.0: a significantly expanded version of the yeast metabolome database.

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/978-1-0716-0239-3_11

Metabolite identification and molecular fingerprint prediction through machine learning.

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/978-1-0716-0239-3_11

The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of Pathway/Genome Databases.

0 references

KEGG as a reference resource for gene and protein annotation

0 references

HMDB 4.0: the human metabolome database for 2018.

0 references

ChEBI in 2016: Improved services and an expanding collection of metabolites

0 references

MIDAS: a database-searching algorithm for metabolite identification in metabolomics.

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/978-1-0716-0239-3_11

A New Atom-Additive Method for Calculating Partition Coefficients

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/978-1-0716-0239-3_11

Illuminating the dark matter in metabolomics

0 references

Dereplication of microbial metabolites through database search of mass spectra

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1038/S41467-018-06082-8

Computing fragmentation trees from tandem mass spectrometry data

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/978-1-0716-0239-3_11

The EcoCyc database: reflecting new knowledge about Escherichia coli K-12.

0 references

ZINC: a free tool to discover chemistry for biology

0 references

Searching molecular structure databases using tandem MS data: are we there yet?

0 references

MaConDa: a publicly accessible mass spectrometry contaminants database

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/references/10.1007/978-1-0716-0239-3_11

Chemical substructures that enrich for biological activity

0 references

Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification

0 references

mzTab-M: A Data Standard for Sharing Quantitative Results in Mass Spectrometry Metabolomics

1 reference

3 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/ACS.ANALCHEM.8B04310

Q63367548

0 references

Predicting the Presence of Uncommon Elements in Unknown Biomolecules from Isotope Patterns.

0 references

KNApSAcK: A Comprehensive Species-Metabolite Relationship Database

0 references

OpenMS: a flexible open-source software platform for mass spectrometry data analysis

1 reference

27 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1038/NMETH.3959

The National Library of Medicine's (NLM) Hazardous Substances Data Bank (HSDB): background, recent enhancements and future plans

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1007/978-1-0716-0239-3_11

An accelerated workflow for untargeted metabolomics using the METLIN database

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1007/978-1-0716-0239-3_11

Use of natural products as chemical library for drug discovery and network pharmacology

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1007/978-1-0716-0239-3_11

PubChem Substance and Compound databases

1 reference

5 May 2024

https://opencitations.net/index/api/v1/references/10.1007/978-1-0716-0239-3_11

Identifiers

DOI

10.1007/978-1-0716-0239-3_11

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:31953819%20AND%20SRC:MED&resulttype=core&format=json

1 May 2020

1 reference