Evidence map›Paper›PMID 31209548›Full record

ArticleAnalytical and bioanalytical chemistry2019

Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFrag.

Christoph Ruttkies, Emma L Schymanski, Nadine Strehmel, Juliane Hollender, Steffen Neumann, Antony J Williams, Martin Krauss

Abstract read
In one paragraph

Article in Analytical and bioanalytical chemistry, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

6 citing papers in PubMed.

  1. Article
  2. Investigating the Metabolism of Plants Germinated in Heavy Water, DInternational journal of molecular sciences · 2023
    Article
  3. Article
  4. Article
  5. Article
  6. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Christoph RuttkiesDepartment of Stress and Developmental Biology, Leibniz Institute of Plant Biochemistry, Weinberg 3, 06120, Halle, Germany.
Emma L SchymanskiLuxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 avenue du Swing, 4367, Belvaux, Luxembourg. emma.schymanski@uni.lu.ORCID http://orcid.org/0000-0001-6868-8145
Nadine StrehmelDepartment of Stress and Developmental Biology, Leibniz Institute of Plant Biochemistry, Weinberg 3, 06120, Halle, Germany.
Juliane HollenderEawag: Swiss Federal Institute of Aquatic Science and Technology, Überlandstrasse 133, 8600, Dübendorf, Switzerland.
Steffen NeumannDepartment of Stress and Developmental Biology, Leibniz Institute of Plant Biochemistry, Weinberg 3, 06120, Halle, Germany.
Antony J WilliamsNational Centre for Computational Toxicity (NCCT), United States Environmental Protection Agency, Research Triangle Park, NC, 27711, USA.
Martin KraussHelmholtz Centre for Environmental Research - UFZ, Permoserstr. 15, 04318, Leipzig, Germany. martin.krauss@ufz.de.

Funding

Helmholtz-Gemeinschaft CITEProHorizon 2020 Framework Programme EC654241Leibniz-Gemeinschaft Institutional fundingLuxembourg National Research Fund (FNR) 12341006Seventh Framework Programme 603437
6 · The paper itself

Abstract

Liquid chromatography coupled with high-resolution mass spectrometry (LC-HRMS) is increasingly popular for the non-targeted exploration of complex samples, where tandem mass spectrometry (MS/MS) is used to characterize the structure of unknown compounds. However, mass spectra do not always contain sufficient information to unequivocally identify the correct structure. This study investigated how much additional information can be gained using hydrogen deuterium exchange (HDX) experiments. The exchange of "easily exchangeable" hydrogen atoms (connected to heteroatoms), with predominantly [M+D]

Indexed as

Compound identificationHigh-resolution mass spectrometryHydrogen deuterium exchangeIn silico fragmentationMetabolomicsStructure elucidation

Identifiers

PMID31209548
PMCPMC6611743

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.