Targeted Metabolomics — Quantitative Panels for Precision Metabolite Analysis

LC-MS/MS

SCIEX QTRAP 6500+ — Triple quadrupole/linear ion trap with scheduled MRM for targeted quantification. HILIC (polar metabolites) and reversed-phase C18 (lipids, non-polar) in both ESI modes. Quantifies 100+ analytes per run with sub-nM LOD.

AB SCIEX TripleTOF 5600 — Q-TOF for method development and structural confirmation. SWATH DIA for comprehensive MS/MS. Mass accuracy below 2 ppm.

Thermo Q Exactive Orbitrap — Resolution 140,000 FWHM with HCD fragmentation. Used for panel development, isomer resolution, and unknown metabolite identification in custom projects.

GC-MS/MS & NMR

Agilent 7890B-5977A GC-MS — EI source with DB-5MS/DB-FFAP columns. SIM for targeted volatile/derivatized metabolites, full scan for untargeted. Covers organic acids, sugars, fatty acids, sterols.

Thermo TSQ 9000 GC-MS/MS — Triple quadrupole with SRM for low-abundance volatiles (EI and CI modes). Sub-nM sensitivity for SCFA, VOC, and terpenoid panels.

Bruker Avance 600/800 MHz NMR — 1D 1H-NMR for biofluid profiling without derivatization. 2D NMR (HSQC, TOCSY) for structural elucidation in custom method development.

• MRM Assay Development — 2-3 optimized transitions per analyte (quantifier + qualifier) from MS/MS spectra. CE, DP, and RT windows optimized per compound. All transitions validated against authentic chemical standards on SCIEX QTRAP 6500+ or Thermo Q Exactive platforms.
• Isotopically Labeled Internal Standards — Matched 13C/15N/D-labeled IS spiked at the earliest preparation step. Corrects for extraction efficiency, derivatization yield, ion suppression, and instrument drift.
• 8-Point Matrix-Matched Calibration — Calibrators in the same matrix as study samples, 3-4 orders of magnitude, 1/x2 weighted regression. R2 above or equal to 0.99. Calibrator back-calculated accuracy: within plus or minus 15% (plus or minus 20% at LLOQ).

• Batch QC System — Pooled QCs injected every 8-10 samples. RSD below 15% acceptance. QC-LOESS drift correction. ComBat for multi-batch studies. Blank carryover below 1% of LLOQ.
• Precision & Accuracy — Intra-batch CV below 5% (major analytes), below 10% (low-abundance). Inter-batch CV below 15%. Spike recovery: 85-115% at low/mid/high QC levels.
• Panel Validation Status — Standard panels: full validation (LOD, LLOQ, linear range, precision, recovery) for plasma/serum, tissue, urine. Custom panels: fit-for-purpose validation with calibration, precision, and matrix effect assessment.

• Feasibility Assessment — Review your target list against our MS/MS spectral library (150+ verified metabolites). Identify authentic standards and labeled IS. Assess ionization, chromatography, and expected LOD. Report within 5 business days.
• Method Development — Optimize MRM transitions, chromatography (HILIC vs. RP C18), collision energy, and ion source parameters. Validate extraction recovery from your sample matrix.
• Fit-for-Purpose Validation — Calibration linearity (R2 above or equal to 0.99), precision at 2 levels (CV below 15%), LOD/LLOQ, matrix effects, processed sample stability (24 h at 4 degree C). Full report with first batch.

Common custom requests fulfilled:

• Species-specific metabolites — D-amino acids, plant secondary metabolites (glucosinolates, phenylpropanoids), microbial siderophores and quorum sensing molecules
• Drug & xenobiotic panels — Parent drug + phase I/II metabolites for ADME/PK; CYP450 phenotyping; environmental exposure panels (phthalates, PFAS, pesticides)
• Expanded pathway coverage — Add 5-20 analytes to an existing standard panel (e.g., glucuronidated bile acids, acetylated polyamines)
• Unusual matrices — CSF (ultra-low volume), vitreous humor, synovial fluid, amniotic fluid, bone marrow aspirate, dried blood spots, BAL fluid, microdialysate