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This dataset comprises the raw mass spectrometry files generated from the analysis of VOCs extracted from the pulp of Theobroma grandiflorum (Copoazu) at three distinct maturation stages (ripe, overripe, and medium). The study used HS-SPME-GC-MS. A Divinylbenzene/carbon wide-range/polydimethylsiloxa...
ORGANISM(S): Theobroma Grandiflorum (ncbitaxon:108881) 
2024-08-20 | MSV000095666 | MassIVE
This study evaluates changes in metabolite levels in hepatocellular carcinoma (HCC) cases vs. patients with liver cirrhosis by analysis of human blood plasma using gas chromatography coupled with mass spectrometry (GC-MS). Untargeted metabolomic analysis of plasma samples from participants recruited...
2015-08-13 | MTBLS105 | MetaboLights
We used machine learning (ML) to improve metabolite identification confidence in GC-MS data. This project was funded by PNNL's M/Q initiative. All data was collected on an Agilent GC 7890A coupled with a single quadrupole MSD 5975C. Metabolites were derivatized prior to analysis.
ORGANISM(S): Trichoderma Reesei (ncbitaxon:51453) Aspergillus (ncbitaxon:5052) Homo Sapiens (ncbitaxon:9606) Aspergillus Nidulans (ncbitaxon:162425) 
2022-07-20 | MSV000089933 | MassIVE
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

The metabolic network, composed of thousands of metabolic reactions, is essential for any organism. Despite its importance, a systems level understanding of how metabolic network is wired by reactions that carry flux in unperturbed condition and rewired by transcriptionally activating or repressi...

2024-12-03 | MTBLS11742 | MetaboLights
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