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MetabolomicsDetection of adulteration in Iranian saffron samples by 1H NMR spectroscopy and multivariate data analysis techniques
Introduction: The high market value of saffron (Crocus sativus L.) has made it an attractive candidate for adulteration. Safflower (Carthamus tinctorius L.) and tartrazine are among the most common herbal and synthetic foreign materials that may be added to pure saffron for the purpose of adulterati...
2017-07-20 | MTBLS331 | MetaboLights
MetabolomicsUntargeted food contaminant detection using UHPLC-HRMS combined with multivariate analysis: Feasibility study on tea (Dataset 2 - Validation)
Powerful data pretreatment strategies inspired from the field of metabolomics were adapted to chemical food safety context to enable samples discrimination by multivariate methods based on low abundance ions. A highly automated workflow was produced. The open-source XCMS package was used and efficie...
2018-10-26 | MTBLS754 | MetaboLights
MetabolomicsUntargeted food contaminant detection using UHPLC-HRMS combined with multivariate analysis: Feasibility study on tea (Dataset 1 - Development)
Powerful data pretreatment strategies inspired from the field of metabolomics were adapted to chemical food safety context to enable samples discrimination by multivariate methods based on low abundance ions. A highly automated workflow was produced. The open-source XCMS package was used and efficie...
2018-10-26 | MTBLS752 | 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
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
MetabolomicsDirect infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality control
Direct-infusion mass spectrometry (DIMS) metabolomics is an important approach for characterising molecular responses of organisms to disease, drugs and the environment. Increasingly large-scale metabolomics studies are being conducted, necessitating improvements in both bioanalytical and computatio...
2022-05-16 | MTBLS79 | MetaboLights
MetabolomicsMetabolomics sequencing raw data of feces and serum from British Shorthair cats

This study explores the effect of antimicrobial peptides on improving the behavior and physiological and biochemical indicators of British shorthair cats after transportation stress and unfamiliar environment stress. This part is the original data obtained after the feces and blood collected befo...

2026-01-22 | MTBLS13746 | MetaboLights
MetabolomicsmassPix: An R package for annotation and interpretation of mass spectrometry imaging data for lipidomics
Mass spectrometry imaging (MSI) experiments result in complex multi-dimensional datasets, which require specialist data analysis tools. Here we have developed massPix - an R package for analysing and interpreting data from MSI of lipids in tissue. MassPix is an open-source tool for the analysis and ...
2017-08-31 | MTBLS487 | MetaboLights
MetabolomicsAnalysis of the human adult urinary metabolome variations with age, body mass index and gender by implementing a comprehensive workflow for univariate and OPLS statistical analyses. ('Sacurine' data set)

Urine metabolomics is widely used for biomarker research in the fields of medicine and toxicology. As a consequence, characterization of the variations of the urine metabolome under basal conditions becomes critical in order to avoid confounding effects in cohort studies. Such physiological infor...

2017-01-20 | MTBLS404 | MetaboLights
MetabolomicsNoninvasive Recognition and Biomarkers of Early Allergic Asthma in Cats using Multivariate Statistics of NMR Spectra of Exhaled Breath Condensate
Not available
ORGANISM(S): Felis catus 
ST000406 | MetabolomicsWorkbench
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