Automated metabolite formula ranking using formula subset analysis for LC-MS/MS-based metabolomics

FSA has not utilized structural information yet and therefore its accuracy may not be competitive with some of the state-of-the-art identification tools. However, its advantages in speed, expandability, and applicability, make it suitable for prescreening candidates in untargeted LC-MS metabolomics studies.

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Publication Details

Journal
Metabolomics
Published
2025-12-01
DOI
https://doi.org/10.1007/s11306-025-02379-0
Primary Topic
Metabolomics and Mass Spectrometry Studies
Type
article
Field-Weighted Citation Impact
0.00

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article

Automated metabolite formula ranking using formula subset analysis for LC-MS/MS-based metabolomics

Ke‐Shiuan Lynn
Metabolomics
Metabolomics and Mass Spectrometry Studies
article

Automated metabolite formula ranking using formula subset analysis for LC-MS/MS-based metabolomics

Ke‐Shiuan Lynn
article en

Abstract

FSA has not utilized structural information yet and therefore its accuracy may not be competitive with some of the state-of-the-art identification tools. However, its advantages in speed, expandability, and applicability, make it suitable for prescreening candidates in untargeted LC-MS metabolomics studies.

MetabolomicsVol. 22(1)
Fu Jen Catholic University (TW)
National Science and Technology Council
Openalex Percentile: Top 66%
Metabolomics and Mass Spectrometry Studies
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Automated metabolite formula ranking using formula subset analysis for LC-MS/MS-based metabolomics — Ke‐Shiuan Lynn · Metabolomics (2025) | TGRS Research Map | TGRS