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Related Concept Videos

High-Resolution Mass Spectrometry (HRMS)01:15

High-Resolution Mass Spectrometry (HRMS)

The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For example, the mass of helium...
Genome Annotation and Assembly03:36

Genome Annotation and Assembly

The genome refers to all of the genetic material in an organism. It can range from a few million base pairs in microbial cells to several billion base pairs in many eukaryotic organisms. Genome assembly refers to the process of taking the DNA sequencing data and putting it all back together in a correct order to create a close representation of the original genome. This is followed by the identification of functional elements on the newly assembled genome, a process called genome annotation.

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Related Experiment Video

Updated: May 22, 2026

A Metadata Extraction Approach for Clinical Case Reports to Enable Advanced Understanding of Biomedical Concepts
07:50

A Metadata Extraction Approach for Clinical Case Reports to Enable Advanced Understanding of Biomedical Concepts

Published on: September 20, 2018

Ensuring Traceability in Nontargeted HRMS Annotation Workflows: An Urgent Call for Editorial Standards.

Francisco José Díaz-Galiano1, Yann Guitton1, María Murcia-Morales1

  • 1Oniris, INRAE, LABERCA, 44300, Nantes, France.

Analytical Chemistry
|May 21, 2026
PubMed
Summary

Untargeted high-resolution mass spectrometry (HRMS) studies lack standardized compound annotation, hindering data interpretation and reproducibility. Improving reporting of metadata and confidence criteria is crucial for scientific accountability and data reuse.

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Last Updated: May 22, 2026

A Metadata Extraction Approach for Clinical Case Reports to Enable Advanced Understanding of Biomedical Concepts
07:50

A Metadata Extraction Approach for Clinical Case Reports to Enable Advanced Understanding of Biomedical Concepts

Published on: September 20, 2018

Area of Science:

  • Analytical Chemistry
  • Metabolomics
  • Exposomics

Background:

  • Untargeted high-resolution mass spectrometry (HRMS) is vital for metabolomics, exposomics, and chemical monitoring.
  • Compound annotation is critical for interpreting HRMS data but often lacks sufficient detail for independent evaluation.

Purpose of the Study:

  • To examine current compound annotation practices in untargeted HRMS studies.
  • To highlight the inconsistent reporting of metadata, structural identifiers, and confidence criteria.
  • To advocate for improved annotation traceability for scientific robustness.

Main Methods:

  • Review of current annotation practices in untargeted HRMS studies.
  • Analysis of reporting standards for metadata, structural identifiers, and confidence criteria.
  • Examination of the impact of annotation deficiencies on data reproducibility and reusability.

Main Results:

  • Compound annotation in untargeted HRMS studies frequently lacks standardized reporting.
  • Information provided is often limited to compound names and exact masses, with inconsistent application of community guidelines.
  • Insufficient annotation traceability impedes reproducibility, interstudy comparability, and long-term data reuse.

Conclusions:

  • Improving annotation traceability is essential for the scientific validity of untargeted HRMS workflows.
  • Journals, reviewers, and authors must ensure annotation information is verifiable, reusable, and accountable.
  • Enhanced reporting standards will support downstream applications like meta-analyses and regulatory assessments.