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MetabolomicsComprehensive evaluation of untargeted metabolomics data processing software in feature detection, quantification and discriminating marker selection
Data analysis represents a key challenge for untargeted metabolomics studies and it commonly requires extensive processing of more than thousands of metabolite peaks included in raw high-resolution MS data. Although a number of software packages have been developed to facilitate untargeted data proc...
2019-11-19 | MTBLS733 | MetaboLights
MetabolomicsComprehensive evaluation of untargeted metabolomics data processing software in feature detection, quantification and discriminating marker selection (AB SCIEX TripleTOF 6600 assay)

Data analysis represents a key challenge for untargeted metabolomics studies and it commonly requires extensive processing of more than thousands of metabolite peaks included in raw high-resolution MS data. Although a number of software packages have been developed to facilitate untargeted data p...

2019-11-19 | MTBLS736 | MetaboLights
MetabolomicsSoftware tool for internal standard based normalization of lipids, and effect of data-processing strategies on resulting values

BACKGROUND: Lipidomics, the comprehensive measurement of lipids within a biological system or substrate, is an emerging field with significant potential for improving clinical diagnosis and our understanding of health and disease. While lipids diverse biological roles contribute ...

2022-05-17 | MTBLS710 | MetaboLights
MetabolomicsDevelopment and validation of the PyMS Mass Spectrometry software
To provide useful data for development and validation of the PyMS Mass Spectrometry software, a test dataset was run at Metabolomics Australia. A biologically complex mix of a biological background material (foetal calf serum), spiked with 2-fold increasing amounts of a mix of metabolite standards. ...
2012-03-29 | MTBLS6 | 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
MetabolomicsModel-driven multi-omic data analysis elucidates metabolic immunomodulators of macrophage activation
Macrophages are central players in immune response, manifesting divergent phenotypes to control inflammation and innate immunity through release of cytokines and other signaling factors. Recently, the focus on metabolism has been reemphasized as critical signaling and regulatory pathways of human pa...
2012-09-05 | MTBLS23 | MetaboLights
MetabolomicsMass spectrometry data of metabolomics analysis of Nepenthes pitchers
Hybridisation plays a significant role in the evolution and diversification of plants. Hybridisation among Nepenthes species is extensive, either naturally or man-made. To investigate the effects of hybridisation on the chemical compositions, we carried out metabolomics study on pitcher tissue of Ne...
2018-07-31 | MTBLS484 | MetaboLights
MetabolomicsMetaboKit: a comprehensive data extraction tool for untargeted metabolomics (Mouse liver assays)

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...

2021-11-02 | MTBLS1266 | 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
MetabolomicsUntargeted metabolomics workshop report: quality control considerations from sample preparation to data analysis

The Metabolomics workshop on experimental and data analysis training for untargeted metabolomics was hosted by the Proteomics Society of India in December 2019. The Workshop included six tutorial lectures and hands-on data analysis training sessions presented by seven speakers. The tutorials and ...

2020-12-17 | MTBLS1301 | MetaboLights
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