Early access · MSI Level 1a · 50,000 compounds

The science
of certainty.

The only plant metabolomics platform that uses retention time as a hard binary gate — delivering compound identification you can publish.

Get access → How it works
±9 mDa mass gate ±0.200 min RT gate Dual ESI+/ESI− MSI Level 1a
50,000
Verified reference compounds
±9 mDa
Mass accuracy gate
±0.200 min
Retention time gate
1a
MSI confidence level

Scientific Domains

Identify with confidence
across every workflow

MoleculeID adapts to your research context. Whether you're profiling unknowns or verifying knowns, the dual-gate algorithm delivers the same MSI Level 1a certainty.

Targeted Matching

Confirm what
you expect to find

You have a list of compounds. You need to know which ones are in your sample — with evidence strong enough to put in a methods section. Upload your ESI+ and ESI− files. MoleculeID cross-validates against your target list using all three gates simultaneously.

  • Binary pass/fail per compound — no ambiguous scores
  • Adduct profile stored for every passing hit
  • Cross-file RT gate confirms co-elution
  • Colour-coded Excel output, publication-ready
Try targeted matching →
MoleculeID · L189_ddms_pos.mgf + neg.mgf · 8 matches
Astragaloside II
C₄₃H₇₀O₁₅ · [M+NH₄]⁺
DUAL ★
Δm/z 1.001 mDa · ΔRT 0.033 min
4,5-Dicaffeoylquinic acid
C₂₅H₂₄O₁₂ · [M+H]⁺
DUAL ★
Δm/z 1.520 mDa · ΔRT 0.013 min
Voglibose
C₁₀H₂₁NO₇ · [M+H]⁺
DUAL ★
Δm/z 0.677 mDa · ΔRT 0.003 min
Complanatuside
C₂₈H₃₂O₁₆ · [M+H]⁺
DUAL ★
Δm/z 1.549 mDa · ΔRT 0.022 min
8,171 spectra · 40 compounds tested 8 dual confirmed · MSI 1a

The Algorithm

Three gates.
One truth.

Every competitor uses mass accuracy alone, or at best a predicted retention time that acts as a soft filter. MoleculeID requires RT agreement as a hard binary pass/fail gate, simultaneously with mass accuracy, on both ESI+ and ESI− modes.

The probability that two different compounds share the same nominal mass AND elute at the same retention time AND ionize in both modes is vanishingly small. This is what makes false positives effectively impossible.

See it in action →
Gate 1 — ESI+ Mass accuracy
|Δm/z| < 0.009 Da (9 mDa)
PASS
Gate 2 — ESI− Mass accuracy
|Δm/z| < 0.009 Da (9 mDa)
PASS
Gate 3 — RT cross-validation
|ΔRT| < 0.200 min
PASS
Result
MSI Level 1a
Highest confidence tier in metabolomics — confirmed identity
PlatformRT gateDual modeMSI
MoleculeID Hard binary ±0.200 min ESI+/ESI− 1a
METLINML ~70%—1b
mzCloudNo—1b
GNPSNo—1b
MassBankNot searchable—1b
Astragaloside II · C₄₃H₇₀O₁₅ · Δm/z 1.001 mDa · ΔRT 0.033 min
4,5-Dicaffeoylquinic acid · C₂₅H₂₄O₁₂ · Δm/z 1.520 mDa
Voglibose · C₁₀H₂₁NO₇ · Δm/z 0.677 mDa · ΔRT 0.003 min
Complanatuside · C₂₈H₃₂O₁₆ · Δm/z 1.549 mDa · ΔRT 0.022 min
Benzoylpaeoniflorin · C₃₀H₃₂O₁₂ · Δm/z 0.861 mDa
Deapioplatycodin D · C₅₂H₈₄O₂₄ · Δm/z 2.672 mDa
Tridecanedioic acid · C₁₃H₂₄O₄ · Δm/z 0.179 mDa · ΔRT 0.022 min
Sibiricose A6 · Δm/z 0.812 mDa · ΔRT 0.028 min · MSI 1a
Astragaloside II · C₄₃H₇₀O₁₅ · Δm/z 1.001 mDa · ΔRT 0.033 min
4,5-Dicaffeoylquinic acid · C₂₅H₂₄O₁₂ · Δm/z 1.520 mDa
Voglibose · C₁₀H₂₁NO₇ · Δm/z 0.677 mDa · ΔRT 0.003 min
Complanatuside · C₂₈H₃₂O₁₆ · Δm/z 1.549 mDa · ΔRT 0.022 min
Benzoylpaeoniflorin · C₃₀H₃₂O₁₂ · Δm/z 0.861 mDa
Deapioplatycodin D · C₅₂H₈₄O₂₄ · Δm/z 2.672 mDa
Tridecanedioic acid · C₁₃H₂₄O₄ · Δm/z 0.179 mDa · ΔRT 0.022 min
Sibiricose A6 · Δm/z 0.812 mDa · ΔRT 0.028 min · MSI 1a

The Platform

MoleculeID — identify with authority

Upload your LC-MS data. Get compound identifications backed by dual-gate mass and retention time evidence from 50,000 physically verified reference standards.

⚗️
Authentic reference standards
Every compound was physically characterized on real instrumentation — not predicted, not in silico. Real measurements from real samples.
🔬
Dual ESI+/ESI− upload
Upload positive and negative mode files together. Cross-file RT gate applied server-side — the same algorithm as the desktop processor.
📊
Approach B all-adduct reporting
Every adduct passing the ±9 mDa gate stored separately. No evidence discarded. Full adduct profile available for Premium subscribers.
🔒
Zero data retention
Your MGF files are processed in memory and immediately deleted. We retain only a usage receipt. Nothing analytical ever persists on our servers.
⚡
Streaming results
Matches stream to your browser as they're found. No waiting — compounds appear progressively with a live five-phase pipeline timeline.
📥
Excel export
Download colour-coded annotated results in the format your team already uses. Compatible with every major metabolomics workflow.

The Company

Built by scientists,
for scientists.

VeroMass was founded by a team with deep roots in plant metabolomics, mass spectrometry, and scientific software. We built MoleculeID because the tools we needed didn't exist.

Chief Scientist
Scientific Lead
Chief Executive Officer
Strategy & Operations
Chief Technology Officer
Engineering & Infrastructure

Get Started

Ready to identify
with certainty?

MoleculeID is in early access. We review every request personally and respond within 2–3 business days.

For researchers
Request early access
Academic metabolomics labs, natural products groups, and plant science researchers — tell us about your work.
Apply for access →
For industry
Enterprise & pharma
Pharmaceutical QC, CROs, and natural product companies — we offer custom arrangements for high-throughput workflows.
Contact us →

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Terms of Service

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Acceptable Use Policy

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Data Processing Addendum

Explore our Data Processing Addendum (DPA) and GDPR commitments.

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Zero Data Retention Policy

Our formal commitment that your MGF files and spectra are never stored on our servers.

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