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MetabolomicsMetabolite profiling in LC-DAD using multivariate curve resolution: the alsace package in R
For those chemical compounds absorbing in the UV–Vis region and not readily applicable to routine mass spectrometry ionisation methods, liquid chromatography coupled to diode array detection is a convenient platform to perform metabolite profiling. Data processing by hand is labour-intensive and err...
2014-07-01 | MTBLS86 | MetaboLights
MetabolomicsLCMS analysis of seven apple varieties with a leaking chromatographic column
The experiment contains data from a metabolomics experiment on different apple varieties. Quality Control and Standard Mixture samples are also included. In this study, retention times are extremely variable because of a problem with the chromatographic column.
2015-06-05 | MTBLS99 | MetaboLights
MetabolomicsHigh-throughput carotenoid profiling using multivariate curve resolution (Stability of isoprenoids in grape extract)
We present automated data analysis of high throughput high-performance liquid chromatography with diode array detection (HPLC-DAD) data using multivariate curve resolution. This technique provides spectra and elution profiles of all UV-Vis active compounds present in the mixture. The specifics of us...
2014-07-01 | MTBLS85 | MetaboLights
MetabolomicsA benchmark spike-in data set for biomarker identification in metabolomics
The development and the validation of innovative approaches for biomarker selection are of paramount importance in many -omics technologies. Unfortunately, the actual testing of new methods on real data is difficult, because in real data sets, one can never be sure about the “true” biomarkers. In th...
2013-10-24 | MTBLS59 | MetaboLights
MetabolomicsLC-MS based plant metabolic profiles of thirteen grassland species grown in diverse neighbourhoods
In plants, secondary metabolite profiles provide a unique opportunity to explore seasonal variation and responses to the environment. These include both abiotic and biotic factors. In field experiments, such stress factors occur in combination. This variation alters the plant metabolic profiles in y...
2020-12-23 | MTBLS679 | MetaboLights
MetabolomicsMetaDB a Data Processing Workflow in Untargeted MS-Based Metabolomics Experiments
This dataset reports the UPLC-QTof MS untargeted analysis of Vitis vinifera L. leaves, collected from Italy (Trentino) and Germany (Mecklenburg West-Pomerania), from two fungus-resistant grape varieties (PIWI), Regent and Phoenix. For each variety, 40 leaves were sampled from 10 plants (4 leaves/pla...
2014-11-09 | MTBLS137 | MetaboLights
TranscriptomicsTranscriptome analysis during seed development provides insights into co-regulated and altered gene expression between a seeded wine grape variety and it seedless somatic variant.
We report the application of Illumina mRNA sequencing technology for high-throughput profiling of the transcriptome of a seeded wine cultivar (wild-type) and its seedless somatic variant (mutant), sampled at three key growth stages of grapevine: E-L 15 (single flowers in compact groups), E-L 27 (yo...
ORGANISM(S): Vitis vinifera 
2014-12-31 | E-GEOD-58061 | biostudies-arrayexpress
MetabolomicsThe WEIZMASS spectral library for high-confidence metabolite identification
Annotation of metabolites is an essential, yet problematic, aspect of mass spectrometry (MS)-based metabolomics assays. The current repertoire of definitive annotations of metabolite spectra in public MS databases is limited and suffers from lack of chemical and taxonomic diversity. Furthermore, the...
2018-03-05 | MTBLS330 | MetaboLights
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