Our services include a broad portfolio of mass spectrometry
Metabolomics Data Processing
- LC-MS/MS data processing (mzMine, Compound Discoverer, MS-DIAL, Skyline)
- Orbitrap, Q-TOF, Triple Quad data handling
- Feature detection, alignment, gap-filling
- Batch correction and normalization
- QC-based filtering and quality control
Statistical Analysis & Chemometrics
- PCA, PLS-DA, OPLS-DA and other algorithms
- Univariate statistics (t-tests, ANOVA, Kruskal-Wallis)
- Pathway enrichment analysis (KEGG, Reactome, MetaboAnalyst)
- Differential metabolite analysis
- Biomarker discovery and validation
- Custom R workflows (xcms, notame, mixOmics, MetaboAnalystR)
Metabolite Annotation & Identification
- MS/MS spectrum interpretation
- In-silico fragmentation (CFM-ID, MetFrag)
- Database searches (HMDB, LipidMaps, MoNA, GNPS)
- Compound Discoverer workflows
- Manual verification and curation
Study Design Consultation
- Sample size calculations for metabolomics
- QC strategy (pooled QC, blank samples)
- Batch effect mitigation
- Experimental design optimization
- Method development support
- Pre-acquisition data planning
Reproducible Analysis Pipelines
- Custom R scripts and workflows
- Version-controlled code (GitHub)
- FAIR data principles
- Reproducible reports
- Documentation and standard operating procedures
Publication Support
- Publication-quality figures
- Methods sections for manuscripts
- Supplementary tables and data
- Statistical reporting
- Reviewer response support