(Q35715135)

9 August 2017

title

Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics (English)

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9 August 2017

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2

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9 August 2017

1

Arpana Vaniya

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9 August 2017

publication date

1 June 2015

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Trends in Analytical Chemistry

9 August 2017

published in

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9 August 2017

volume

69

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9 August 2017

page(s)

52-61

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Novel strategy for the determination of illegal adulterants in health foods and herbal medicines using high-performance liquid chromatography with high-resolution mass spectrometry

9 August 2017

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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Identifying the Unknowns by Aligning Fragmentation Trees

27 July 2018

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27 July 2018

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27 July 2018

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Cytotoxic veraguamides, alkynyl bromide-containing cyclic depsipeptides from the marine cyanobacterium cf. Oscillatoria margaritifera.

27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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

27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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27 July 2018

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Rapid structure elucidation of catecholamine conjugates with tandem mass spectrometry.

27 July 2018

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Identification of the chemical components of Saussurea involucrata by high-resolution mass spectrometry and the mass spectral trees similarity filter technique

27 July 2018

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25 September 2018

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25 September 2018

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Finding maximum colorful subtrees in practice

25 September 2018

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Substructure-based annotation of high-resolution multistage MS(n) spectral trees

25 September 2018

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Fragmentation trees for the structural characterisation of metabolites

25 September 2018

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Structural elucidation and quantification of phenolic conjugates present in human urine after tea intake.

25 September 2018

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25 September 2018

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Structural annotation and elucidation of conjugated phenolic compounds in black, green, and white tea extracts.

25 September 2018

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Automated lipid A structure assignment from hierarchical tandem mass spectrometry data

25 September 2018

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25 September 2018

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25 September 2018

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Complementary precursor ion and neutral loss scan mode tandem mass spectrometry for the analysis of glycerophosphatidylethanolamine lipids from whole rat retina.

25 September 2018

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Towards de novo identification of metabolites by analyzing tandem mass spectra

25 September 2018

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

25 September 2018

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25 September 2018

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Determination of flavone, flavonol, and flavanone aglycones by negative ion liquid chromatography electrospray ion trap mass spectrometry

25 September 2018

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A strategy for fast structural elucidation of metabolites in small volume plant extracts using automated MS-guided LC-MS-SPE-NMR

25 September 2018

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Metabolite identification: are you sure? And how do your peers gauge your confidence?

23 October 2018

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7 January 2021

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7 January 2021

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7 January 2021

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Computational mass spectrometry for small-molecule fragmentation

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Identifiers

DOI

10.1016/J.TRAC.2015.04.002

1 reference

9 August 2017

1 reference

9 August 2017

1 reference