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Updated: Jun 17, 2025

A Strategy for Sensitive, Large Scale Quantitative Metabolomics

A Strategy for Sensitive, Large Scale Quantitative Metabolomics

Published on: May 27, 2014

MRMQuant: Automated MRM Data Quantitation for Large-Scale Targeted Metabolomics Analysis.

Ke-Shiuan Lynn¹, Hsiang-Yu Tang², Chi-Jen Lo²

¹Department of Mathematics, Fu Jen Catholic University, New Taipei City 24205, Taiwan.

Analytical Chemistry

|August 11, 2024

Summary

This summary is machine-generated.

MRMQuant is a new automated tool for accurate metabolite quantification from multiple reaction monitoring (MRM) data. It simplifies data analysis in targeted metabolomics with user-friendly features for high-throughput studies.

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Large Scale Non-targeted Metabolomic Profiling of Serum by Ultra Performance Liquid Chromatography-Mass Spectrometry UPLC-MS

Published on: March 14, 2013

Area of Science:

Biochemistry
Analytical Chemistry
Bioinformatics

Background:

Targeted metabolomics relies on accurate metabolite quantification.
Multiple reaction monitoring (MRM) is a key technique for this quantification.
Existing methods can be labor-intensive and prone to errors.

Purpose of the Study:

To develop an automated, user-friendly tool for accurate quantification of MRM data.
To improve the efficiency and reliability of targeted metabolomic analyses.
To provide features for data inspection and correction with minimal user intervention.

Main Methods:

Development of an automated software tool named MRMQuant.
Implementation of dynamic signal smoothing and automatic deconvolution of coeluted peaks.
Integration of absolute quantification using standard curves and/or internal standards.
Inclusion of visualized inspection, correction, multi-sample corrections, and batch-effect correction.

Main Results:

MRMQuant provides accurate metabolite quantification from high-throughput LC-MS/MS MRM data.
The tool automates complex data processing steps, reducing human intervention.
Features for data correction and batch-effect adjustment enhance data reliability.

Conclusions:

MRMQuant is an effective tool for accurate and efficient targeted metabolomic quantitation.
The software facilitates robust data analysis in high-throughput metabolomics studies.
MRMQuant offers a user-friendly solution for researchers in the field.