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MetabolomicseRah: A computational tool integrating spectral deconvolution and alignment with quantification and identification of metabolites in GCMS- based metabolomics
Gas chromatography coupled to mass spectrometry (GC-MS) has been a long- standing approach used for identifying small molecules due to the highly reproducible ionization process of electron impact ionization (EI). However, the use of GC-EI MS in untargeted metabolomics produces large and complex dat...
2016-09-22 | MTBLS321 | MetaboLights
MetabolomicsAssessing the potentiality of sputtered gold nanolayers in mass spectrometry imaging for metabolomics applications (Liver MALDI-MSI assay)

Mass spectrometry imaging (MSI) is a molecular imaging technique that maps the distribution of molecules in biological tissues with high spatial resolution. The most widely used MSI modality is matrix-assisted laser desorption/ionization (MALDI), but some organic matrices used in classical MALDI ...

2022-01-21 | MTBLS589 | MetaboLights
MetabolomicsAssessing the potential of sputtered gold nanolayers in mass spectrometry imaging for metabolomics applications (Brain MALDI-MSI assay)

Mass spectrometry imaging (MSI) is a molecular imaging technique that maps the distribution of molecules in biological tissues with high spatial resolution. The most widely used MSI modality is matrix-assisted laser desorption/ionization (MALDI), mainly due to the large variety of analyte classes...

2022-01-21 | MTBLS588 | MetaboLights
MetabolomicsNovel automated workflow for spectral alignment and mass calibration in MS imaging using a sputtered Ag nanolayer
Mass spectrometry imaging (MSI) is a technique that can map analyte spatial distribution directly onto a tissue section. This enables the spatial correlation of molecular entities with a tissue morphology to be investigated. Analyte annotation in MSI is intrinsically linked to the mass accuracy of t...
2022-01-20 | MTBLS587 | MetaboLights
MetabolomicsMachine Learning-Based Retention Time Prediction of Trimethylsilyl Derivatives of Metabolites
In gas chromatography-mass spectrometry-based untargeted metabolomics, metabolites are identified by comparing mass spectra and chromatographic retention time with reference databases or standard materials. In that sense, machine learning has been used to predict the retention time of metabolites la...
2022-05-26 | MTBLS2841 | MetaboLights
MetabolomicsMetabolomics reveals impaired maturation of HDL particles in adolescents with hyperinsulinaemic androgen excess
Hyperinsulinaemic androgen excess (HIAE) in prepubertal and pubertal girls usually precedes a broader pathological phenotype in adulthood that is associated with anovulatory infertility, metabolic syndrome and type 2 diabetes. The metabolic derangements that determine these long-term health risks re...
2015-04-09 | MTBLS103 | MetaboLights
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