Three verification gates — accurate mass, retention time, and spectral similarity — deliver MSI Level 1a confidence. Every match is backed by a standard we physically measured.
Import raw MS data
Smoothing, baseline correction
Detect and deconvolute peaks
Align features across samples
Identify compounds using libraries/databases
Quantify peak intensities
Differential analysis, multivariate analysis
Heatmaps, PCA, volcano plots
QC samples, blanks, reproducibility
Generate reports and export results
Three-gate matching against an authenticated MS/MS library for MSI Level 1a confidence.
Cross-reference compounds against KEGG, PubChem, ChEMBL, and Reactome databases.
Discover relationships between known and unknown features across your LC-MS samples.
Three independent gates turn a raw feature into a compound you can defend in review.
Compound Identification →Target fishing, spectral networking and pathway analysis put an identity in biological context.
Target Fishing →A REST endpoint and Python client run whole cohorts through the same engine, unattended.
Batch API →Every candidate is checked against measured accurate mass within ±9 mDa — the first of three independent gates a compound must clear before it's called identified.
Query known bioactivity against your identified compounds: