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MetabolomicsCustomized Consensus Spectral Library Building for Untargeted Quantitative Metabolomics Analysis with Data Independent Acquisition Mass Spectrometry and MetaboDIA Workflow
Data independent acquisition-mass spectrometry (DIA-MS) coupled with liquid chromatography is a promising approach for rapid, automatic sampling of MS/MS data in untargeted metabolomics. However, wide isolation windows in DIA-MS generate MS/MS spectra containing a mixed population of fragment ions t...
2018-03-26 | MTBLS417 | MetaboLights
MetabolomicsIntegrative Modeling of Quantitative Plasma Lipoprotein, Metabolic, and Amino Acid Data Reveals a Multiorgan Pathological Signature of SARS-CoV-2 Infection
The metabolic effects of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection on human blood plasma were characterized using multi-platform metabolic phenotyping with Nuclear Magnetic Resonance (NMR) spectroscopy and liquid chromatography-mass spectrometry (LC-MS). Quantitative mea...
2021-01-29 | MTBLS2014 | MetaboLights
MetabolomicsQuantitative metabolic profiles of tomato flesh and seeds during fruit development: complementary analysis with ANN and PCA (NMR data)
Global approach to characterize changes in metabolic profiles in two interdependent tissues Seed and Flesh from the same tomato fruits during tomato fruit development. Tomato, an essential crop in terms of economic importance and nutritional quality, is also used as a model species for all fleshy fr...
2013-09-24 | MTBLS56 | MetaboLights
MetabolomicsAutomated Label-free Quantification of Metabolites from Liquid Chromatography–Mass Spectrometry Data (Simulated)

Liquid chromatography coupled to mass spectrometry (LC-MS) has become a standard technology in metabolomics. In particular, label-free quantification based on LC-MS is easily amenable to large-scale studies and thus well suited to clinical metabolomics. Large-scale studies, however, require autom...

2015-12-16 | MTBLS235 | MetaboLights
MetabolomicsQuantitative Metabolomic Dataset of Avian Eye Lenses

Metabolomics is a powerful set of methods that uses analytical techniques to identify and quantify metabolites in biological samples, providing a snapshot of the metabolic state of a biological system. In medicine, metabolomics can help diagnose diseases, reveal molecular basis of a disease, and ...

2023-06-30 | MTBLS7739 | MetaboLights
MetabolomicsFunctional analysis of isoprenoid precursors biosynthesis by quantitative metabolomics and isotopologue profiling

INTRODUCTION: Isoprenoids are amongst the most abundant and diverse biological molecules and are involved in a broad range of biological functions. Functional understanding of their biosynthesis is thus key in many fundamental and applicative fields, including systems biology, me...

2021-04-01 | MTBLS923 | MetaboLights
MetabolomicsCharacterization of the Human Exposome by a Comprehensive and Quantitative Large-Scale Multianalyte Metabolomics Platform
The exposome, defined as the cumulative measure of external exposures and associated biological responses throughout the lifespan, has emerged in recent years as a cornerstone in biomedical sciences. Metabolomics stands out here as one of the most powerful tools for investigating the interplay betwe...
2022-02-17 | MTBLS1906 | MetaboLights
MetabolomicsComparison of Full-Scan, Data-Dependent, and Data-Independent Acquisition Modes in Liquid Chromatography-Mass Spectrometry Based Untargeted Metabolomics
Full-scan, data-dependent acquisition (DDA), and data-independent acquisition (DIA) are the three common data acquisition modes in high resolution mass spectrometry-based untargeted metabolomics. It is an important yet underrated research topic on which acquisition mode is more suitable for a given ...
2020-05-21 | MTBLS1572 | MetaboLights
MetabolomicsQuantitative metabolomics of plasma and tissue interstitial fluids from mice

This study presents quantitative metabolomic measurements of plasma and tissue interstitial fluids (IF) collected from healthy C57BL/6J mice. Using liquid chromatography–mass spectrometry (LC–MS) and external chemical standards, absolute concentrations were determined for over one hundred polar m...

2025-12-30 | MTBLS13165 | MetaboLights
MetabolomicsMetaboKit: a comprehensive data extraction tool for untargeted metabolomics (Standard mixture assay)

We have developed MetaboKit, a comprehensive software package for compound identification and relative quantification in mass spectrometry-based untargeted metabolomics analysis. In data dependent acquisition (DDA) analysis, MetaboKit constructs a customized spectral library with compound identit...

2021-11-05 | MTBLS1311 | MetaboLights
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