Elemental composition determination based on MSn (Q27134827)

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Language	Label	Description	Also known as
English	Elemental composition determination based on MSn	scientific article

Statements

instance of

scholarly article

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title

Elemental composition determination based on MSn (English)

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main subject

metabolomics

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spectroscopy

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chemical compound

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author

Egon Willighagen

series ordinal

3

affiliation

Wageningen University & Research

Karolinska Institutet

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Thomas Hankemeier

series ordinal

5

affiliation

Leiden University

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Miquel Rojas-Chertó

series ordinal

1

object named as

M. Rojas-Cherto

affiliation

Leiden University

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author name string

P. T. Kasper

series ordinal

2

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R. J. Vreeken

series ordinal

4

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T. H. Reijmers

series ordinal

6

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language of work or name

English

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publication date

14 July 2011

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number of pages

8

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published in

Bioinformatics

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volume

27

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issue

17

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page(s)

2376-2383

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cites work

Spectral accuracy of molecular ions in an LTQ/Orbitrap mass spectrometer and implications for elemental composition determination

1 reference

stated in

COCI

reference URL

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retrieved

12 September 2021

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reference URL

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12 September 2021

Computing fragmentation trees from tandem mass spectrometry data

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

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Isotope pattern evaluation for the reduction of elemental compositions assigned to high-resolution mass spectral data from electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

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reference URL

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retrieved

12 September 2021

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

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COCI

reference URL

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retrieved

12 September 2021

Metabolomics: Current analytical platforms and methodologies

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reference URL

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12 September 2021

The Blue Obelisk-interoperability in chemical informatics

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12 September 2021

Accurate mass filtering of ion chromatograms for metabolite identification using a unit mass resolution liquid chromatography/mass spectrometry system

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12 September 2021

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

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

has goal

uses method in cited work

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COCI

reference URL

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12 September 2021

stated in

CiteULike CiTO annotations

retrieved

2022

Predicting molecular formulas of fragment ions with isotope patterns in tandem mass spectra.

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12 September 2021

Current trends and future requirements for the mass spectrometric investigation of microbial, mammalian and plant metabolomes

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12 September 2021

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

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12 September 2021

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

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12 September 2021

Differentiation of structural isomers in a target drug database by LC/Q-TOFMS using fragmentation prediction

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12 September 2021

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

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Systems biology in drug discovery

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12 September 2021

Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions

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12 September 2021

Advances in structure elucidation of small molecules using mass spectrometry

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reference URL

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12 September 2021

Development of chemical markup language (CML) as a system for handling complex chemical content

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reference URL

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12 September 2021

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

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12 September 2021

Identifiers

DOI

10.1093/BIOINFORMATICS/BTR409

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DBLP publication ID

journals/bioinformatics/Rojas-ChertoKWVHR11

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

PubMed publication ID

21757467

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ResearchGate publication ID

51493271

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