Overview
Metabolite profiles are a close readout of biological state. We process raw spectra to identified, quantified features.
Salient features
- Peak detection, alignment and annotation
- NMR and mass-spectrometry platforms
- Pathway and flux interpretation
Analyses we offer
MS-based untargeted metabolomics
Detects, aligns and annotates thousands of metabolite features from LC-MS or GC-MS runs.
Methods: xcms, mzmine, MsdialWorkbench.
NMR-based metabolomics
Processes NMR spectra and quantifies metabolites with multivariate analysis.
Methods: nmrglue, nPYc-Toolbox, ASICS.
Metabolic profiles analysis
Statistical analysis of metabolite profiles, with normalisation, PCA/PLS-DA and biomarker selection.
Methods: MetaboAnalystR, xcms.
13C-fluxomics
Estimates intracellular metabolic fluxes from isotope labelling data.
Methods: mfapy, freeflux.
Metabolite identification (MS/MS)
Identifies unknown metabolites by matching and predicting fragmentation spectra.
Methods: sirius, matchms.
Molecular networking
Groups related molecules by spectral similarity to explore chemical space.
Methods: GNPS_Workflows.
Lipidomics
Identifies, normalises and analyses lipid species across classes and conditions.
Methods: lipidr, goslin, lipidspace.
What you receive
- A written report with methods, parameters and interpretation
- Processed data tables and publication-quality figures
- Scripts and settings so every result can be reproduced
Not sure which analysis fits your data? Contact us and we will advise.