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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
MetabolomicsDiscovery and validation of metabolite markers in bloodstains for bloodstain age estimation

The age estimation of bloodstains measures the time-dependent changes in the levels of bloodstain biomolecules. Although several studies have identified bloodstain metabolites as markers for estimating bloodstain age, none has consider gender and age-related metabolomic differences or long-time b...

2024-01-16 | MTBLS5208 | MetaboLights
MetabolomicsIdentification and Validation of Plasma Lipid Biomarkers for Oral Cancer Diagnosis

Despite lipid metabolic changes in oral cancer (OC), their potential as diagnostic markers remains unclear. This study assessed the diagnostic potential of metabolites for OC detection. Plasma metabolites of patients with OC and healthy controls (HC) were profiled using untargeted and targeted me...

2026-05-02 | MTBLS12655 | MetaboLights
MetabolomicsSRM1957 validation using GC-XLE
Not available
ORGANISM(S): Homo sapiens 
ST001797 | MetabolomicsWorkbench
MetabolomicsLION-web validation lipidomics experiments (FA-incorporation, membrane fluidty)
A major challenge for lipidomic analyses is the handling of the large amounts of data and the translation of results to interpret the involvement of lipids in biological systems. We built a new lipid ontology (LION) that associates over 50,000 lipid species to biophysical, chemical and cell biologic...
2019-04-24 | MTBLS757 | MetaboLights
MetabolomicsDiscovery and validation of potential serum biomarkers for heart failure by untargeted metabolomics

Detection of biomarkers was extremely important for the early diagnosis, prognosis and therapy optimization of diseases. The purpose of this study was to investigate the differences in serum metabolites between patients with heart failure (HF) and healthy controls (HC), and to diagnose HF qualita...

2025-07-18 | MTBLS9586 | MetaboLights
MetabolomicsPrediction, detection, and validation of isotope peaks in mass spectrometry data (Supplemental data for manuscript)
Mass spectrometry is a key analytical platform for metabolomics. The precise quantification and identification of small molecules is a prerequisite for elucidating the metabolism and the detection, validation, and evaluation of isotope clusters in LC-MS data is important for this task. Here, we pres...
2016-10-30 | MTBLS381 | MetaboLights
MetabolomicsInterday validation of of developed quantatation method
Not available
ORGANISM(S): Fecal Bacteria 
ST001498 | MetabolomicsWorkbench
MetabolomicsSRM1957 validation using GC-XLE (2)
Not available
ORGANISM(S): Homo sapiens 
ST001798 | MetabolomicsWorkbench
MetabolomicsIntraday validation of of developed quantatation method
Not available
ORGANISM(S): Fecal Bacteria 
ST001497 | MetabolomicsWorkbench
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