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Untargeted Metabolomics

280,000-Metabolite Database Enables Deep Reference Coverage
Advanced Annotation Strategy for Confident Discovery
Up to 10,000+ Signals Support Broad Metabolome Profiling
10+ Quality Control Metrics Ensure Data Reliability

What is Untargeted Metabolomics?

Untargeted metabolomics, also known as nontargeted metabolomics or global metabolomics profiling, is a systematic approach to detecting and quantifying full spectrum of small-molecule metabolites in a biological system. Unlike targeted approaches that focus on predefined compounds, untargeted metabolomics takes an unbiased view, detecting both known and novel metabolites without prior assumptions. This method uses high-resolution analytical platforms—typically mass spectrometry combined with liquid chromatography—to deliver a comprehensive view of metabolic changes triggered by genetic variation, environmental factors, disease progression, or therapeutic intervention. As a key tool in systems biology and translational research, untargeted metabolomics provides valuable insights into cellular pathways and disease mechanisms. It is especially effective for exploratory studies such as early-stage biomarker discovery, drug mechanism research, and evaluating the metabolic effects of diet or environmental exposures. With the support of statistical modeling and pathway analysis, this approach helps researchers uncover meaningful biological patterns and generate data-driven hypotheses from complex metabolomic datasets.
MetwareBio’s untargeted metabolomics service integrates a comprehensive metabolite database containing over 280,000 curated compounds—sourced from proprietary libraries, public databases, and AI-based predictions—together with high-resolution mass spectrometry, enabling broad and sensitive coverage of the metabolome. Supported by a professional technical team, advanced identification strategies, and rigorous quality control, our platform can detect over 10,000 metabolite signals from small sample volumes. The service is compatible with a wide range of biological samples (tissues, biofluids, cells) and non-biological matrices (soil, water, etc.), providing accurate and reliable metabolomic insights across diverse research fields.
MetwareBio untargeted metabolomics workflow using LC-MS QTOF and DDA, showing sample injection, spectral data acquisition, MS2 score-based identification, and quantification via public metabolite databases.

Why Choose MetwareBio’s Untargeted Metabolomics Service?

Large Curated Database
Our untargeted metabolomics service is powered by a large, expertly curated database encompassing over 280,000 metabolites. This integrated resource—combining in-house, public, and AI-augmented entries—ensures high-confidence metabolite identification across a wide variety of biological and environmental sample types.

Why Choose MetwareBio’s Untargeted Metabolomics Service?

Comprehensive Identification Strategy
We apply a robust identification workflow that includes metDNA network-based annotation and AI-assisted prediction tools. This strategy improves metabolite coverage, enhances annotation accuracy, and supports confident discovery of novel or low-abundance compounds.
Broad Metabolome Coverage
By utilizing both T3 and HILIC chromatographic columns with high-resolution mass spectrometry, our platform achieves broad-spectrum metabolic profiling. This enables detection of over 10,000 metabolite signals from limited sample volumes, offering unmatched coverage in untargeted analysis.
Rigorous Quality Control
We implement a standardized, multi-point quality control system that includes over 10 indicators—such as blanks, solvents, pooled QCs, internal standards, and reference samples—to ensure data accuracy, reproducibility, and batch comparability throughout the workflow.
MetwareBio untargeted metabolomics quality control workflow including experimental design, LC-MS/MS detection, data generation, and report submission with solvent QC, internal standards, and statistical validation.
Sample-Specific Extraction Protocols
We use optimized extraction methods tailored to the physicochemical characteristics of each sample type. This approach maximizes metabolite recovery and signal consistency for diverse matrices including tissues, biofluids, environmental samples, and cell cultures.
Publication-Ready Output
We provide clean, well-organized deliverables including publication-ready figures, annotated metabolite tables, pathway enrichment results, and statistical analyses—streamlining the path from raw data to journal submission.
Multi-Omics Integration
Our platform supports integrated analysis with transcriptomics, proteomics, and genomics datasets. This enables cross-omics correlation, enhances biological interpretation, and facilitates systems-level insights in complex research studies.

List of Metabolites

MetwareBio’s untargeted metabolomics platform offers broad and in-depth coverage of metabolites involved in key biological pathways. Detectable compound classes include amino acids, carbohydrates, organic acids, nucleotides, lipids, amines, alcohols, ketones, aldehydes, steroids, bile acids, vitamins, and various secondary metabolites. These metabolites span critical pathways such as energy metabolism, amino acid metabolism, nucleotide biosynthesis, lipid metabolism, and redox balance, enabling comprehensive insights into cellular function and systemic metabolic regulation.

In-house biomedical database

Category Quantity Representative substance
Amino acids and their derivatives 600+ glycine, L-threonine, L-arginine, N-acetyl-L-alanine
Organic acids and their derivatives 400+ 3-hydroxybutyric acid, adipic acid, hippuric acid, kynurenine
Nucleotides and their derivatives 200+ adenine, 5'-Adenine Nucleotide, guanine, 2'-Deoxycytidine
Carbohydrates and their derivatives 100+ D-glucose, glucosamine, D-fructose 6-phosphate
Lipids 500+ O-acetylcarnitine, γ-linolenic acid, lysophosphatidylcholine 22:4
Benzene and its derivatives 500+ benzoic acid, 3,4-dimethoxyphenylacetic acid, 4-hydroxybenzoic acid
Coenzymes and vitamins 60+ folic acid, pantothenic acid, vitamin D3
Alcohols, Amines 150+ dopamine, histamine, DL-1-amino-2-propanol
Aldehydes, Ketones, Esters 120+ furfural, ethyl butyrate, α-pentyl cinnamaldehyde
Heterocyclic compound 200+ pyridoxal, biopterin, indole-3-acetic acid
Bile acids 40+ glycocholic acid, deoxycholic acid, taurolithocholic acid
Hormones and hormone-related substances 100+ juvenile hormone 3, epinephrine, 3,3'-diiodo-L-thyroxine
Tryptamines, Cholines, Pigments 15+ serotonin, bilirubin (E-E), urobilin
Others 50+ astaxanthin, hydroxyurea
Total 3000+

 

Project Workflow of Untargeted Metabolomics Service
MetwareBio’s untargeted metabolomics service follows a streamlined and standardized workflow to ensure data quality and biological relevance. The process begins with careful sample preparation, followed by optimized metabolite extraction protocols tailored to sample type. Extracted metabolites are then subjected to high-resolution LC-MS/MS detection, capturing a broad spectrum of compounds across multiple chemical classes. Finally, data analysis is performed using advanced software pipelines, including peak alignment, metabolite annotation, statistical analysis, and pathway interpretation, delivering comprehensive and actionable results.

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1
Sample Preparation
2
Metabolite Extraction
3
LC-MS/MS Detection
4
Data Analysis

Deliverables of Untargeted Metabolomics Service

MetwareBio provides a complete set of deliverables from raw data processing to biological interpretation. Data preprocessing steps include retention time correction, peak alignment, and peak area integration. Quality evaluation covers total ion current inspection, PCA, correlation analysis, and CV distribution, among others. Differential metabolites are identified through statistical analysis and visualized using volcano plots, radar charts, heatmaps, Venn diagrams, etc. KEGG pathway annotation and enrichment analysis are also included to support functional interpretation. Contact Us for Demo

Demo Report Of Untargeted Metabolomics

Experience in Untargeted Metabolomics Service

MetwareBio has rich experience in untargeted metabolomics across a broad range of species, including humans, mice, rats, monkeys, cattle, sheep, rabbits, chickens, fruit flies, zebrafish, C. elegans, and E. coli. We work with a variety of sample types such as tissues, cells, biofluids, and feces, supporting diverse research needs from basic biology to applied studies. Our high-resolution platform can detect over 10,000 metabolite signals per sample, delivering deep and comprehensive metabolic insights across species and sample types.

Number of metabolites identified from various sample types using MetwareBio's untargeted metabolomics approach

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Applications of Untargeted Metabolomics Service

Disease Mechanism and Biomarker Discovery

Untargeted metabolomics plays a crucial role in exploring disease mechanisms and identifying potential biomarkers. By profiling global metabolic changes in patient samples, researchers can uncover metabolic signatures associated with cancer, metabolic disorders, neurodegenerative diseases, and more. This approach supports early diagnosis, patient stratification, and therapeutic monitoring in clinical and translational research.

Pharmacology and Drug Response Studies

In pharmacology research, untargeted metabolomics enables comprehensive evaluation of drug-induced metabolic changes. It helps assess drug efficacy, toxicity, and off-target effects by capturing metabolic shifts in blood, tissue, or urine samples. This approach is widely used in preclinical studies to support drug mechanism elucidation and safety evaluation.

Animal Health and Nutrition Research

Untargeted metabolomics is widely applied in animal models and livestock research to study physiological responses to diet, environment, or disease. By analyzing metabolic profiles in serum, tissue, feces, and milk, researchers can monitor growth, immunity, and health status. This helps optimize animal nutrition strategies and improve welfare in veterinary and agricultural settings.

Microbial Metabolism and Host-Microbiome Interaction

This approach is a powerful tool for studying microbial metabolism and host-microbiome interactions. It allows researchers to track microbial-derived metabolites, analyze gut microbial activity, and explore how microbiota influence host physiology. Applications span from probiotic research and microbiome-targeted therapies to understanding microbial roles in inflammation and metabolic diseases.

Case Study of Untargeted Metabolomics Service

Untargeted Metabolomics Reveals Distinct Metabolic Responses to Dual Nutrient Delivery in the Small Intestine

In a Cell publication titled “A two-front nutrient supply environment fuels small intestinal physiology through differential regulation of nutrient absorption”, researchers examined how luminal and vascular nutrient inputs shape the metabolic environment of the small intestine. Using a mouse model under sham feeding, total parenteral nutrition (TPN), and starvation conditions, gut interstitial fluid (GIF) was collected for untargeted metabolomics analysis performed by MetwareBio. The results showed that enteral nutrient input enriched lipid-related and steroid biosynthesis metabolites, while serosal delivery led to higher levels of carbohydrates and organic acids. Importantly, many of these metabolites were microbiota-derived, suggesting a key role of host–microbiome interactions in shaping intestinal physiology.

This study demonstrates the power of untargeted metabolomics in dissecting nutrient-specific metabolic regulation. MetwareBio’s platform enabled the unbiased profiling of extracellular metabolite dynamics, revealing distinct biosynthetic pathways engaged by different feeding routes. This approach offers valuable insights for research in nutrition, gut health, and host–microbe interactions.

GIF extraction and detection in the small intestine (Zhang et al., 2024)

Sample Requirements of Untargeted Metabolomics Service

Sample Type Sample Recommended sample size Minimum sample size Biological replication
Liquid Plasma, serum, hemolymph, milk, egg white 100μL 20μL human>30
animal>6
Cerebrospinal fluid, tear fluid, interstitial fluid, uterine fluid, pancreatic, fluid and bile, pleural effusion, follicular fluid, corpse fluid 100μL 20μL human>30
animal>6
seminal plasma, amniotic fluid, prostate fluid, rumen fluid, respiratory, condensate, gastric lavage fluid, alveolar lavage fluid, urine, sweat, saliva, sputum 500μL 100μL human>30
animal>6
Tissue Animal tissue, placenta, thrombus, fish skin, mycelium, nematode 100mg 20mg human>30
animal>6
whole body, aircraft (wings). pupae 500mg 20mg human>30
animal>6
Zebrafish organs, insect organs 20 10 animal>6
Cell Cultured cells 2*10^6 1*10^6 human>30
animal>6
Escherichia coli and other microorganisms 1*10^10 5*10^8 animal>6
Feces Feces, ilntestinal contents 200 mg (wet weight) 50 mg (wet weight) human>30
  animal>6

FAQ on Untargeted Metabolomics

What is the difference between untargeted and targeted metabolomics?

Untargeted metabolomics captures a broad range of metabolites in a sample without prior selection, making it suitable for discovery-driven research and hypothesis generation. Targeted metabolomics, by contrast, focuses on quantifying a defined set of known metabolites, often with absolute quantification and greater sensitivity for specific compounds.

How should I design my experiment for untargeted metabolomics to ensure meaningful results?

A robust experimental design should include adequate biological replicates, matched controls, and consistent sample handling to reduce variability. Incorporating quality control (QC) samples, such as pooled QC and reference standards, is essential for monitoring data consistency. We also recommend randomizing sample processing and acquisition to minimize batch effects.

How do you address batch effects and technical variability in large-scale untargeted metabolomics studies?

We use a combination of QC-based normalization, signal drift correction, and statistical modeling to minimize batch effects. System suitability and pooled QC samples are regularly injected to monitor instrument stability, and multivariate analyses like PCA are applied to assess data quality across batches.

How are unidentified features handled in untargeted metabolomics? Can I still use them for biological interpretation?

Yes. Unidentified features—metabolic signals without definitive structural annotation—can still be statistically analyzed and used for pattern recognition, classification, or pathway-level inference (via correlation with known metabolites or network-based enrichment). These features may serve as potential biomarkers pending further validation.

Can untargeted metabolomics data be integrated with transcriptomics or proteomics data for multi-omics analysis?

Absolutely. We support multi-omics integration through pathway enrichment tools and correlation-based analysis. Combining metabolomics with transcriptomic or proteomic data allows for deeper insight into biological regulation, linking metabolic phenotypes with gene expression and protein activity.

How reproducible are the results from untargeted metabolomics across different batches or projects?

While untargeted metabolomics is inherently more variable than targeted methods, we apply strict quality control protocols, standardized extraction procedures, and internal normalization strategies to ensure the reproducibility. We routinely evaluate CV distribution across QC samples and offer cross-batch comparability analysis for long-term or multi-phase projects.

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Reference

Zhang, J., Tian, R., Liu, J., Yuan, J., Zhang, S., Chi, Z., Yu, W., Yu, Q., Wang, Z., Chen, S., Li, M., Yang, D., Hu, T., Deng, Q., Lu, X., Yang, Y., Zhou, R., Zhang, X., Liu, W., & Wang, D. (2024). A two-front nutrient supply environment fuels small intestinal physiology through differential regulation of nutrient absorption and host defense. Cell, 187(22), 6251–6271.e20.https://doi.org/10.1016/j.cell.2024.08.012

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