Fragmentation trees for the structural characterisation of metabolites (Q43246669)

17 November 2017

Fragmentation trees for the structural characterisation of metabolites (English)

1 reference

17 November 2017

4

Theo Reijmers

0 references

Thomas Hankemeier

object named as

Thomas Hankemeier

5

0 references

Rob J Vreeken

object named as

Rob J Vreeken

6

0 references

author name string

Piotr T Kasper

1

1 reference

17 November 2017

Miguel Rojas-Chertó

2

1 reference

17 November 2017

Robert Mistrik

3

1 reference

17 November 2017

Theo Reijmers

4

1 reference

17 November 2017

1 October 2012

1 reference

Rapid Communications in Mass Spectrometry

17 November 2017

1 reference

17 November 2017

26

1 reference

17 November 2017

19

1 reference

17 November 2017

2275-2286

1 reference

Optimization and testing of mass spectral library search algorithms for compound identification

17 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Computing fragmentation trees from metabolite multiple mass spectrometry data

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Elemental composition determination based on MSn

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Computing fragmentation trees from tandem mass spectrometry data

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

mzML--a community standard for mass spectrometry data

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

In silico fragmentation for computer assisted identification of metabolite mass spectra

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Rapid differentiation of isobaric and positional isomers of structurally related glycosides from Phytolacca bogotensis

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study.

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Artifacts in Fourier transform mass spectrometry

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Lipid mediators in health and disease: enzymes and receptors as therapeutic targets for the regulation of immunity and inflammation

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Towards a full reference library of MS(n) spectra. Testing of a library containing 3126 MS2 spectra of 1743 compounds

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Metabonomics in toxicology: a review

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

A common open representation of mass spectrometry data and its application to proteomics research

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Mass spectrometry in metabolome analysis.

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

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

25 May 2018

has goal

uses method in cited work

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

25 May 2018

CiteULike CiTO annotations

Practical implications of some recent studies in electrospray ionization fundamentals

2022

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Chiral recognition detected by fast atom bombardment mass spectrometry

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Rapid quantitation of a large scope of eicosanoids in two models of inflammation: development of an electrospray and tandem mass spectrometry method and application to biological studies.

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

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

25 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Automated molecular formula determination by tandem mass spectrometry (MS/MS).

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Towards de novo identification of metabolites by analyzing tandem mass spectra

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

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

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Liquid chromatographic-mass spectrometric determination of cyclooxygenase metabolites of arachidonic acid in cultured cells

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

Stereochemical differentiation of mannose, glucose, galactose, and talose using zinc(II) diethylenetriamine and ESI-ion trap mass spectrometry

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3573646

CID of singly charged antioxidants applied in lubricants by means of a 3D ion trap and a linear ion trap-Orbitrap mass spectrometer

15 August 2018

1 reference

12 December 2020

Molecular formula analysis by an MS/MS/MS technique to expedite dereplication of natural products

1 reference

12 December 2020

Chemical Markup, XML and the World-Wide Web. 2. Information Objects and the CMLDOM

1 reference

12 December 2020

Rapid identification of saponins in plant extracts by electrospray ionization multi-stage tandem mass spectrometry and liquid chromatography/tandem mass spectrometry

1 reference

12 December 2020

Identifiers

DOI

10.1002/RCM.6340

1 reference

17 November 2017

1 reference

17 November 2017

PubMed publication ID

22956319

1 reference