Adding open spectral data to MassBank and PubChem using open source tools to support non-targeted exposomics of mixtures-Reference-Cited by-同舟云学术

Adding open spectral data to MassBank and PubChem using open source tools to support non-targeted exposomics of mixtures

Published:2023 Issue:11 Volume:25 Page:1788-1801
ISSN:2050-7887
Container-title:Environmental Science: Processes & Impacts
language:en
Short-container-title:Environ. Sci.: Processes Impacts

Author:

Elapavalore Anjana¹^ORCID,Kondić Todor¹^ORCID,Singh Randolph R.¹²^ORCID,Shoemaker Benjamin A.³^ORCID,Thiessen Paul A.³^ORCID,Zhang Jian³^ORCID,Bolton Evan E.³^ORCID,Schymanski Emma L.¹^ORCID

Affiliation:

1. Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg

2. IFREMER (Institut Français de Recherche pour l’Exploitation de la Mer), Laboratoire Biogéochimie des Contaminants Organiques, Rue de l’Ile d’Yeu, BP 21105, Nantes Cedex 3, 44311, France

3. National Center for Biotechnology Information (NCBI), National Library of Medicine (NLM), National Institutes of Health (NIH), Bethesda, MD, 20894, USA

Abstract

Adding mass spectra from complex mixtures of chemicals relevant for exposomics to open spectral libraries such as MassBank and chemical databases like PubChem empowers identification efforts for non-target high resolution mass spectrometry workflows.

Funder

Fonds National de la Recherche Luxembourg

U.S. National Library of Medicine

National Institutes of Health

Publisher

Royal Society of Chemistry (RSC)

Subject

Management, Monitoring, Policy and Law,Public Health, Environmental and Occupational Health,Environmental Chemistry,General Medicine

Link

http://pubs.rsc.org/en/content/articlepdf/2023/EM/D3EM00181D

Reference50 articles.

1. EPA’s non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings

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3. Multiple classes of environmental chemicals are associated with liver disease: NHANES 2003–2004

4. Understanding the human health effects of chemical mixtures.

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