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MetabolomicsPublic LC-Orbitrap-MS/MS Spectral Library for Metabolite Identification

Liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics studies require high-quality spectral libraries for reliable metabolite identification. We have constructed EMBL-MCF (European Molecular Biology Laboratory-Metabolomics Core Facility), an open LC-MS/MS spectral library ...

2020-09-28 | MTBLS1861 | MetaboLights
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
MetabolomicsA high-resolution Orbitrap mass spectral library for trace volatile compounds in fruit wines
The overall aroma is an important factor of the sensory quality of fruit wines, which attributed to hundreds of volatile compounds. However, the qualitative determination of trace volatile compounds is considered to be very challenging work. GC-Orbitrap-MS with high resolution and high sensitivity p...
2022-08-12 | MTBLS3840 | MetaboLights
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
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
UnknownA multi-model statistical approach for proteomic spectral count quantitation.
Not available
S-EPMC4967010 | biostudies-literature
ProteomicsMorpheus Spectral Counter - Morpheus spectral counter: a computational tool for label-free quantitative mass spectrometry using the morpheus search engine
Label-free quantitative mass spectrometry (MS) based on the Normalized Spectral Abundance Factor (NSAF) has emerged as a simple and reasonably robust method to determine the relative abundance of individual proteins within complex mixtures. Here, we describe Morpheus Spectral Counter (MSpC) as the ...
ORGANISM(S): Arabidopsis thaliana (Mouse-ear cress) 
2016-02-24 | PXD003002 | Pride
Proteomics Morpheus Software Bioinformatics Spectral count Label-free quantification Lc-ms/ms 
ProteomicsPROTEOMIC ANALYSIS OF THE UMBILICAL CORD IN FETAL GROWTH RESTRICTION AND PREECLAMPSIA
Fetal growth restriction (FGR) is associated with adverse perinatal outcomes. Pre-eclampsia (PreE) increases the associated perinatal morbidity and mortality. The structure of the umbilical cord in the setting of FGR and PreE has yet to be determined. This study aimed to examine chan...
ORGANISM(S): Homo Sapiens (ncbitaxon:9606) 
2021-03-15 | MSV000087051 | MassIVE
ProteomicsReal-time spectral library matching for sample multiplexed quantitative proteomics
Sample multiplexed quantitative proteomics has proved to be a highly versatile means to assay molecular phenotypes. Yet, stochastic precursor selection and precursor coisolation can dramatically reduce the efficiency of data acquisition and quantitative accuracy. To address this, intelligent data ac...
ORGANISM(S): Homo Sapiens (ncbitaxon:9606) Saccharomyces Cerevisiae (ncbitaxon:4932) 
2023-02-03 | MSV000091200 | MassIVE
TranscriptomicsA comparison of DNA copy number profiling platforms using a panel of melanoma cell lines
The accurate mapping of recurring DNA copy number aberrations (CNAs), a hallmark feature of the cancer genome, has facilitated the discovery of tumor suppressor genes and oncogenes. Microarray-based assays designed to detect these chromosomal copy number alterations on a genome-wide and high-resolu...
ORGANISM(S): Homo sapiens 
2010-05-26 | E-GEOD-7822 | biostudies-arrayexpress
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