MRMQuant: Automated MRM Data Quantitation for Large-Scale Targeted Metabolomics Analysis.
Anal Chem
; 96(33): 13625-13635, 2024 Aug 20.
Article
in En
| MEDLINE
| ID: mdl-39127919
ABSTRACT
Multiple reaction monitoring (MRM) is a powerful and popular technique used for metabolite quantification in targeted metabolomics. Accurate and consistent quantitation of metabolites from the MRM data is essential for subsequent analyses. Here, we developed an automated tool, MRMQuant, for targeted metabolomic quantitation using high-throughput liquid chromatography-tandem mass spectrometry MRM data to provide users with an easy-to-use tool for accurate MRM data quantitation with minimal human intervention. This tool has many user-friendly functions and features to inspect and correct the quantitation results as required. MRMQuant possesses the following features to ensure accurate quantitation (1) dynamic signal smoothing, (2) automatic deconvolution of coeluted peaks, (3) absolute quantitation via standard curves and/or internal standards, (4) visualized inspection and correction, (5) corrections applicable to multiple samples, and (6) batch-effect correction.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Tandem Mass Spectrometry
/
Metabolomics
Limits:
Humans
Language:
En
Journal:
Anal Chem
Year:
2024
Document type:
Article
Affiliation country:
Taiwan