(Q39475125)

12 September 2017

title

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

1 reference

metabolite identification

12 September 2017

0 references

1 reference

1 reference

based on heuristic

inferred from title

object named as

metabolite identification

4 February 2023

5

Theo Reijmers

0 references

Rob J Vreeken

object named as

Rob Vreeken

4

0 references

Thomas Hankemeier

7

object named as

Thomas Hankemeier

1 reference

12 September 2017

Julio E Peironcely

1

1 reference

12 September 2017

Miguel Rojas-Chertó

2

1 reference

12 September 2017

Albert Tas

3

1 reference

12 September 2017

Theo Reijmers

5

1 reference

12 September 2017

Leon Coulier

6

1 reference

12 September 2017

language of work or name

English

0 references

publication date

21 March 2013

1 reference

12 September 2017

1 reference

12 September 2017

volume

85

1 reference

12 September 2017

issue

7

1 reference

12 September 2017

page(s)

3576-3583

1 reference

describes a project that uses

12 September 2017

1 reference

Elemental composition determination based on MSn

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1093/BIOINFORMATICS/BTR409

COCI

reference URL

OMG: Open Molecule Generator

1 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1186/1758-2946-4-21

COCI

reference URL

In silico fragmentation for computer assisted identification of metabolite mass spectra

2 January 2022

1 reference

4 April 2022

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

Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral Trees

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/AC2034216

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

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/AC203471Y

MolFind: a software package enabling HPLC/MS-based identification of unknown chemical structures

1 reference

5 April 2022

https://opencitations.net/index/coci/api/v1/citations/10.1021/AC302048X

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

2 references

28 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1002/JMS.1777

27 May 2022

https://opencitations.net/index/coci/api/v1/citations/10.1002/JMS.1777

Metabolite identification and molecular fingerprint prediction through machine learning.

1 reference

24 October 2022

https://opencitations.net/index/coci/api/v1/citations/10.1093/BIOINFORMATICS/BTS437

Computing fragmentation trees from tandem mass spectrometry data

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1021/AC101825K

Integrated analytical and computer tools for structure elucidation in effect-directed analysis

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1016/J.TRAC.2009.03.001

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

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1021/AC102574H

Mass-spectrometry-based metabolomics: limitations and recommendations for future progress with particular focus on nutrition research

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1007/S11306-009-0168-0

Development of Ecom₅₀ and retention index models for nontargeted metabolomics: identification of 1,3-dicyclohexylurea in human serum by HPLC/mass spectrometry

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1021/CI300092S

HMDB: a knowledgebase for the human metabolome

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1093/NAR/GKN810

Identifying the Unknowns by Aligning Fragmentation Trees

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1021/AC300304U

De novo analysis of electron impact mass spectra using fragmentation trees

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1016/J.ACA.2012.06.021

Computational strategies for metabolite identification in metabolomics

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.4155/BIO.09.138

Spectral trees as a robust annotation tool in LC–MS based metabolomics

1 reference

5 May 2024

https://opencitations.net/index/api/v1/citations/10.1007/S11306-011-0363-7

Identifiers

DOI

10.1021/AC303218U

1 reference

12 September 2017

1 reference