v7.0  ·  Open Access

From Rumen to
Exhaled Breath,
Annotated.

A peer-reviewed knowledgebase mapping rumen microbial metabolism to volatile organic compounds, thermodynamic properties, and breath biomarkers in ruminant livestock.

Explore the Database → Learn More

Free to use  ·  No account required  ·  Open access data

83
VOC Compounds
42
BMDB Mapped
22
Publications
11
Biomarker Panels
Acetone · Ketosis biomarker Dimethyl sulfide · Sulfur metabolism 4-Methylphenol · Amino acid catabolism Acetate · Primary fermentation Hydrogen sulfide · Cysteine catabolism 3-Methylindole · Tryptophan catabolism Methane · Methanogenesis D-Limonene · Terpene metabolism Trimethylamine · Choline metabolism Nonanal · Chorioamnionitis biomarker Isoprene · Isoprenoid pathway β-Hydroxybutyrate · Ketone body metabolism Indole · Tryptophan catabolism Propionate · VFA fermentation Acetone · Ketosis biomarker Dimethyl sulfide · Sulfur metabolism 4-Methylphenol · Amino acid catabolism Acetate · Primary fermentation Hydrogen sulfide · Cysteine catabolism 3-Methylindole · Tryptophan catabolism Methane · Methanogenesis D-Limonene · Terpene metabolism Trimethylamine · Choline metabolism Nonanal · Chorioamnionitis biomarker Isoprene · Isoprenoid pathway β-Hydroxybutyrate · Ketone body metabolism Indole · Tryptophan catabolism Propionate · VFA fermentation
83
Curated VOC compounds
12
Canonical metabolic pathways
11
Disease biomarker panels
3+
MS platforms (GC · SESI · PTR)
Capabilities

Everything for Ruminant
Exhalomics Research

Every data point is traceable to peer-reviewed literature, with thermodynamic and analytical metadata ready for your workflows.

01
Curated VOC Database
83 rumen volatile organic compounds from systematic literature review across cattle, sheep, and goats — with evidence tier ratings and DOI-linked sources.
02
Breath Transfer Scores
Lung-transfer likelihood scored using vapor pressure, Henry's Law constants, and logP — cross-validated against published in-vivo breath detection data.
03
Metabolic Pathway Mapping
12 canonical metabolic pathways annotated per compound — from primary VFA fermentation to sulfur, terpene, and one-carbon pathways — cross-linked to KEGG.
04
MS Fragment Libraries
GC-MS, SESI-HRMS, and PTR-MS fragment data embedded per compound — m/z values, relative intensities, and detection matrices included.
05
BMDB Cross-reference
42 compounds matched to the Bovine Metabolome Database with accession IDs, enzyme links, KEGG and SMPDB pathway entries, pKa, and water solubility data.
06
Disease Biomarker Panels
11 disease panels — ketosis, tuberculosis, MAP, chorioamnionitis, BRD, and more — with evidence grading, sensitivity/specificity, and full reference DOIs.
Featured · Compound Record
Acetone
Produced during ketone body metabolism in the rumen and bloodstream. Volatile and lipophilic, it readily crosses the alveolar membrane — making it the highest-scoring rumen-origin breath biomarker and a primary non-invasive indicator of subclinical ketosis in dairy cattle.
✓ Lung-exhaled Ketone metabolism Score: 95 BMDB mapped PTR-MS · GC-MS C₃H₆O
Tools

Seven Integrated
Analysis Tools

From compound search to network visualisation — built for researchers, not just data lookup.

⊞
Compound Browser
Search 83 compounds by name, formula, pathway, or synonym. Filter by chemical class, detection platform, microbial origin, or breath-detected status.
▦
MS Peak Matching
Enter up to 6 m/z values. Matches against fragment ion libraries and exact-mass adducts across positive and negative ionisation modes.
⚡
Volatility Index (RVI)
Compute Rumen Volatility Index for any compound using SIMPOL.1 — rank by gas-phase partitioning potential across three matrix environments.
⬡
Network Explorer
Interactive force-directed graph mapping compound–pathway–microbe connections. Search by compound or microbe to visualise the metabolic network.
◈
Pathway Explorer
Browse 12 canonical pathways from VFA fermentation to terpene biosynthesis. Navigate by compound, pathway, or producing microorganism with KEGG link-outs.
✦
Biomarker Panels
11 curated disease panels with evidence grading, AUC-ROC, sensitivity/specificity, diagnostic cutoffs, and full reference DOIs for each biomarker compound.
Workflow

From Query to Discovery

RumeFlux connects microbial source, metabolic pathway, thermodynamic data, and breath evidence in one interface.

01
Search & Filter
Find compounds by name, CAS, molecular formula, or metabolic class. Filter by breath-detected status, analytical platform, ruminant species, or evidence tier.
02
Inspect the Evidence
Review microbial origin, thermodynamic properties, MS fragment patterns, BMDB and KEGG cross-links, and every peer-reviewed reference behind each compound.
03
Integrate & Publish
Use pathway mappings, biomarker annotations, and thermodynamic exports to power your exhalomics pipeline, clinical monitoring study, or methane research.
Biomarker Panels

11 Disease Conditions.
Evidence-graded.

Curated VOC panels for non-invasive ruminant disease detection — from subclinical ketosis to bovine tuberculosis, chorioamnionitis, BRD, and beyond.

Explore biomarker panels →
Chorioamnionitis
● Strong · AUC 0.93
Subclinical Ketosis
● Moderate · 4 studies
Bovine Tuberculosis
● Moderate · Sen 78–100%
Johne's Disease (MAP)
● Preliminary · 3 studies
Bovine Resp. Disease
● Preliminary · 3 studies
Trypanosomosis
● Emerging · urine VOCs
11
Disease panels
47
Biomarker VOCs
30
References
Featured · Chorioamnionitis Panel
AUC 0.93
15-VOC discriminatory panel in ovine model. Sen 83%, Spe 71%. Validated by GC-TOF-MS and SESI-HRMS. Nonanal and xanthurenic acid as primary discriminatory metabolites.
Nonanal Xanthurenic acid Acetone 4-Methylphenol +11 more
Linking rumen microbial metabolism to breath biomarkers through rigorous thermodynamic and literature-validated annotations.
Built on peer-reviewed literature · 22 key publications
Open Access · No account required · Freely accessible
DOI-linked sources for every compound annotation
Supabase-backed · Real-time data · Continuously updated
Access

Open Science,
With Future Depth

The core database is freely accessible today. Expanded tools and curated method packs are in active development.

Available Now
Open Database
Free public access — no account required
  • 83 curated rumen VOC records
  • Breath transfer scores & evidence tiers
  • MS fragment libraries (GC-MS, SESI, PTR)
  • BMDB, KEGG & PubChem cross-references
  • 7 integrated analysis tools
  • 11 disease biomarker panels
  • Thermodynamic property data
Open the Database →
Coming Soon
Academic
For research groups needing deeper integration
  • Expanded library (>200 VOCs)
  • In-vitro & in-vivo concentration data
  • Batch CSV / JSON export
  • Custom biomarker panel builder
  • Priority annotation requests
Coming Soon
Research Tools
Integrated analytical & pipeline tools
  • Exhalomics pipeline integration
  • REST API access
  • ODE breath prediction model outputs
  • Multi-omics data overlay
  • Collaboration & shared workspaces
Get in Touch →
Open Access Research Tool

Explore the
Rumen Volatilome.

83 curated VOC records, thermodynamic properties, MS fragment libraries, 11 disease biomarker panels, and breath biomarker annotations — free, instantly, no account needed.

Launch the Database → Contact Us