OctoChemDB: An Aggregated Database for Small Molecule Identification Using High-Resolution MS Data.

Ricardo Silvestre, Rémi Martinent, Laure Menin, Natalia Gasilova, Vincent Mutel, Cyril Portmann, Luc Patiny

Abstract read

In one paragraph

Article in Analytical chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing 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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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.

Ricardo SilvestreSchool of Engineering and Architecture, Institute of Chemical Technology, HES-SO University of Applied Sciences and Arts Western Switzerland, Fribourg 1700, Switzerland.ORCID 0000-0002-5372-6716

Rémi MartinentSchool of Engineering and Architecture, Institute of Chemical Technology, HES-SO University of Applied Sciences and Arts Western Switzerland, Fribourg 1700, Switzerland.

Laure MeninMass Spectrometry and Elemental Analysis Platform, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, Lausanne 1015, Switzerland.

Natalia GasilovaMass Spectrometry and Elemental Analysis Platform, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, Lausanne 1015, Switzerland.

Vincent MutelInflamalps SA, Monthey 1870, Switzerland.

Cyril PortmannSchool of Engineering and Architecture, Institute of Chemical Technology, HES-SO University of Applied Sciences and Arts Western Switzerland, Fribourg 1700, Switzerland.ORCID 0000-0003-2424-0351

Luc PatinyMass Spectrometry and Elemental Analysis Platform, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, Lausanne 1015, Switzerland.ORCID 0000-0002-4943-2643

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

High-resolution mass spectrometry (HRMS) is a cornerstone technology to dereplicate small molecules by comparing their MS spectral data to references in extensive chemical databases. However, most existing chemical databases lack robust support for processing spectral data or enabling direct

Identifiers

PMID41693620

DOI10.1021/acs.analchem.5c06761

PMCPMC12961639

What OpenQuestion holds

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LicenceCC BY

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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.