--- title: "Untargeted Metabolomics" lang: en url: https://www.gereallife.com/en/services/untargeted-metabolomics.html canonical: https://www.gereallife.com/en/services/untargeted-metabolomics.html entity: Shanghai Gereallife Biotech Co., Ltd updated: 2026-11-02 --- # Untargeted Metabolomics Untargeted Metabolomics Plus — Discover First, Understand Later No predefined targets — full-spectrum scanning of metabolic changes in your samples, ideal for exploratory research, phenotyping and biomarker discovery. Polarity-switching acquisition plus dual matching against public and in-house libraries covers both polar and non-polar metabolites in blood, tissue, cell, urine and other matrices. Powered by Q Exactive HF-X with deep analysis extended to 9 modules. Q Exactive HF-X High-Resolution MS Platform HIGH-RESOLUTION MS 9 Analysis Modules ANALYSIS MODULES 10,000+ Metabolic Features METABOLIC FEATURES ## Technical Specifications TECHNICAL SPECIFICATIONS | Item | Details | | --- | --- | | Platform | Q Exactive HF-X high-resolution MS · polarity-switching acquisition | | Identification Strategy | Dual matching against public databases and in-house libraries, covering polar and non-polar metabolites | | Applicable Matrices | Blood (serum/plasma) · tissue · cells · urine and other matrices | | Differential Screening | Default FC ≥ 1.5 and p < 0.05; or VIP ≥ 1 and q ≤ 0.05 (strategy auto-selected based on permutation-test results) | ## Analysis Workflow ANALYSIS WORKFLOW 1 Data Preprocessing Peak picking · alignment · normalization 2 Quality Control PCA · QC correlation 3 Univariate Stats FC · t-test / Wilcoxon 4 Multivariate Stats OPLS-DA · permutation test 5 Differential Screening FC + p or VIP + q 6 Abundance Analysis Clustering · correlation · Z-score 7 Functional annotation KEGG · HMDB / SMPDB 8 Biomarkers & Disease ROC · AUC · Venn Workflow: consultation (goals / study design) → proposal & quote (timeline / agreement) → sample intake (cold chain / pre-check / labeling) → experiment (acquisition / QC) → delivery (data + report + interpretation). ## Bioinformatics Analyses (9 Modules) BIOINFORMATIC MODULES | Module | Core Methods & Metrics | Key Outputs | | --- | --- | --- | | Data Preprocessing | Peak picking, retention-time correction and alignment in Compound Discoverer; TIC normalization, missing-value filtering and imputation, Pareto scaling | Metabolic-feature quantification matrix | | Quality Control | Global PCA / PLS-DA, QC-sample correlations (generally > 0.99) and pairs plots, sample-intensity boxplots, HMDB level-3 classification statistics | QC figure sets, classification statistics tables | | Univariate Stats | Fold change; Welch's t-test / Wilcoxon test; BH-adjusted p-values (padj) | Volcano plots, classified volcano plots, full metabolite statistics tables | | Multivariate Stats | PCA / PLS-DA / OPLS-DA modeling; 200 permutation tests; VIP score calculation | Score plots, permutation-test plots, VIP Top-25 bar charts | | Differential Screening | Default FC ≥ 1.5 and p < 0.05; or VIP ≥ 1 and q ≤ 0.05 (strategy auto-selected based on permutation-test results) | Differential metabolite lists, up/down-regulation counts | | Abundance Analysis | Hierarchical clustering; complex heatmap of top-50 significant metabolites; abundance analysis; Spearman correlation; Z-score normalization | Cluster heatmaps, correlation plots, abundance plots | | Functional annotation | KEGG level 1–3 annotation and enrichment; Sankey diagrams, differential abundance score (DA Score), pathway-impact topology analysis, chord / donut plots / regulatory networks | KEGG enrichment figure sets and result tables | | HMDB / SMPDB | HMDB and SMPDB enrichment; single-metabolite pathway analysis; pathway–metabolite networks | SMPDB enrichment figure sets and result tables | | Disease & Biomarkers | Metabolite–disease association enrichment; ROC curves and AUC ranking; Venn overlap analysis of differential metabolites for multi-group comparisons | ROC plots, AUC ranking tables, Venn diagrams | ## Example Results SELECTED FIGURES FROM ACTUAL REPORTS Total Ion Chromatogram (TIC) One chromatogram per polarity mode showing base-peak overlap of QCs and all samples, assessing chromatographic separation and instrument-response stability. Global PCA All samples including QCs projected together; tight QC clustering indicates a stable system, while clear group separation indicates distinct metabolic profiles. QC Sample Correlation Pairwise Pearson correlation heatmap of QC samples; values generally > 0.99 indicate reliable, batch-comparable data. Sample Intensity Boxplot Comparison of metabolite intensity distributions across groups, revealing outliers and normalization quality. Metabolite Classification Donut Composition of identified metabolites by HMDB Super Class, profiling the chemical classes of the dataset. OPLS-DA Score Plot Clearer separation after orthogonal signal correction, used to screen the most discriminating metabolites between groups. QC Correlation Pairs Plot Pairwise scatter, distribution and correlation coefficients of QC samples, assessing injection stability and data reproducibility. Differential Metabolite Radar Chart Radar chart of fold changes for differential metabolites, intuitively comparing magnitude and pattern of changes across groups. Volcano Plot log2(FC) on the x-axis and −log10(P) on the y-axis, presenting fold change and statistical significance together. Volcano Plot (Classified) Colored by HMDB chemical superclass, with the top-15 most significant known differential metabolites labeled. Significant Pathway Chord Diagram Mapping between differential metabolites and significant pathways (Level 1 / Level 2), colored by regulation direction and log2(FC). Hierarchical Clustering Heatmap Rows are metabolites and columns are samples — red high, blue low; dendrograms show clustering, revealing intergroup patterns and within-group reproducibility. ## Applications APPLICATIONS Disease Biomarker Discovery Drug Mechanism & Efficacy Nutrition & Phenotyping Plant / Microbial Metabolism Toxicology & Exposure Assessment ## FAQ FAQ How long does a Untargeted Metabolomics project take? Mature targeted panels typically take 1-3 weeks; untargeted projects take 2-4 weeks (counted from sample receipt and QC approval). The exact timeline is confirmed in writing before project start, and progress is trackable on the OmicsHub cloud platform. What if my sample amount is below the recommendation? Please do not dilute your samples. Low-input samples can often be accommodated by adjusting the preparation workflow — tell us the actual amount and our technical team will assess feasibility and note adjustments in the study plan. Can I add targets to an existing panel? Yes. Mature panels support on-demand additions; novel analytes outside the list can be implemented through custom method development (requires standards and extra validation time) — see our Custom Targeted Metabolomics service. What samples do you need for Untargeted Metabolomics? Serum/plasma ≥100 μL (fasting, no haemolysis), tissue ≥50 mg (snap-frozen), cells ≥1×10⁶ (medium washed off), urine ≥200 μL. Keep fasting time consistent, aliquot into single-use volumes and avoid freeze–thaw. Full guidance: Technical Resources → Sample Guide . ## Related Services RELATED SERVICES ### Metabolic Flux & Isotope Tracing Metabolic Flux & Isotope Tracing ### Targeted Metabolomics Targeted Metabolomics ### Environmental Exposomics Environmental Exposomics Delivery timing: sample shipping, customs declaration and similar steps may extend turnaround; actual project timelines prevail. ## Request a Quote or Study Design Tell us about your project — we reply within one business day (free assessment) Name Organization Phone or WeChat Service of interest Sample type, number of samples and aims (optional) Submit Used only for this enquiry; never shared. ## Start Your Multi-omics Project Free study design · Interactive execution · In-depth data interpretation HOTLINE 400-660-8826 EMAIL market@gereallife.com Official Channels OFFICIAL CHANNELS Official Account WECHAT OFFICIAL ACCOUNT WeChat Service CUSTOMER SERVICE Xiaohongshu XIAOHONGSHU Call us： 400-660-8826 Scan to chat on WeChat