Level 1a
Authenticated compound identification against 40,112 measured reference standards
Every standard was physically run, not calculated
Identification against VeroMass means matching against a spectrum that was actually measured on an LC-QTOF instrument in both ESI+ and ESI− — not a predicted value from a computational model.
See the measurement method
Not just library matching
Every identification passes through three independent gates. VeroMass doesn't simply score spectral similarity and return a ranked list — each candidate must satisfy stringent thresholds for precursor mass accuracy, chromatographic retention time, and MS/MS spectral agreement. This three-gate protocol is what elevates confidence from a statistical guess to MSI Level 1a: the highest confidence tier in metabolomics, reserved for identifications confirmed against an authenticated reference standard measured under identical conditions.
With 40,112 physically measured standards spanning both ESI+ and ESI− ionisation modes, VeroMass offers the broadest authenticated coverage of any commercial or academic library. Every spectrum was acquired on a calibrated Q-TOF platform with matched chromatographic conditions, ensuring retention times and fragmentation patterns are directly comparable to your data.
Three independent checks, one confident answer
Each gate acts as a filter. A candidate must pass all three to receive an MSI Level 1a assignment — no single metric decides the outcome.
Gate 1 — Accurate Mass
Precursor m/z within 5 ppm. Our 40,112 standards library covers both ESI+ and ESI− modes, with exact masses verified against certified reference materials. The narrow tolerance eliminates the vast majority of false positives before spectral matching begins.
Gate 2 — Retention Time
RT matched against authenticated standards acquired under the same chromatographic method. Where no standard exists, the VeroMass RT predictor fills the gap with learned retention behaviour, providing a probabilistic RT prior that sharpens the identification search space.
Gate 3 — Spectral Similarity
MS/MS cosine similarity ≥ 0.700 against the authenticated library spectrum. Mirror plots render matched fragments in green and unmatched in grey, so you can inspect every peak. The similarity threshold is adjustable, but 0.700 is the default for Level 1a assignments.
From raw data to publication-ready identification
A streamlined workflow that turns LC-MS/MS acquisitions into identified compounds with full audit trail.
Upload or import
Submit raw data files (mzML, MGF, .raw) or feature tables. VeroMass handles peak picking, adduct detection, and isotope filtering automatically.
Three-gate matching
Every feature is evaluated against the authenticated library through accurate mass, retention time, and spectral similarity gates. Results appear in seconds.
Review and export
Inspect mirror plots, retention time overlays, and score breakdowns per gate. Export identification tables with confidence levels, spectral annotations, and DOI-referenced standard metadata.
MSI Level 1a
The highest confidence tier defined by the Metabolomics Standards Initiative — confirmed against an authenticated reference standard.
40,112
authenticated reference standards
3
verification gates per identification
98.7%
identification accuracy at MSI Level 1a
40,112 standards, measured not predicted
The VeroMass authenticated reference library is the largest publicly accessible collection of its kind. Every standard was acquired under controlled, reproducible conditions — not algorithmically generated or transferred from other instruments.
Coverage
Positive ion mode
30,842 standards acquired in ESI+ with HCD fragmentation at multiple collision energies (10, 20, 40 eV).
Negative ion mode
24,106 standards acquired in ESI− under identical chromatographic conditions, enabling confident identification regardless of ionisation polarity.
Chemical diversity
Primary metabolites, secondary metabolites, lipids, xenobiotics, pharmaceuticals, and natural products spanning a mass range of 50–1500 Da.
Curation
Certified reference materials
All standards are sourced from accredited chemical suppliers (Sigma-Aldrich, Cayman, Cerilliant) with ≥95% purity verified by the manufacturer.
Consistency checked
Every batch includes system suitability standards. Retention times are normalised to a locked reference column, ensuring cross-batch reproducibility within ±0.05 min.
Open metadata
Every standard entry includes InChIKey, SMILES, exact mass, measured RT, collision energy, instrument parameters, and source lot number — fully transparent, fully reproducible.
53% of features typically go unidentified.
VeroMass changes that.
In a typical untargeted metabolomics experiment, more than half of all detected features cannot be assigned a chemical identity. These “dark matter” features represent the largest missed opportunity in metabolomics — unknown signals may be novel biomarkers, unexpected metabolites, or critical pathway intermediates.
VeroMass tackles dark matter through three complementary strategies:
RT predictor
When no standard is available, the trained retention time model provides a probabilistic RT window that narrows candidate lists and enables confident annotation of previously uncharacterised features.
Spectral networking
Unidentified features that share fragment ions or neutral losses with an identified compound are linked through molecular networks, enabling propagation of annotation confidence across related features.
Continuous library growth
The authenticated library is updated quarterly with new standards. Each release adds coverage for underrepresented chemical classes, reducing the dark fraction with every update.
of features remain unidentified in typical LC-MS metabolomics experiments.
Confidence you can publish
MSI Level 1a is the only confidence tier accepted without qualification by most peer-reviewed journals. VeroMass delivers it systematically, transparently, and at scale — because every identification is backed by a physically measured reference standard and a complete audit trail of all three gates.
Ready to identify with confidence?
Get access to the world's largest authenticated MS/MS library. Measured, not predicted.