Metabolomics is focused on profiling and quantification of small, naturally occurring compounds that collectively constitute the so-called metabolome. Small molecules serve as direct signatures of biochemical activity and therefore are easier to correlate with phenotype.


  • Metabolome profiling or global metabolomics.
  • Lipidomics.
  • Relative and absolute quantitation of small molecules (targeted metabolomics).

Metabolomics and Small molecules applications

  • Relative and absolute quantitation of small molecules: metabolites, vitamins, drugs, antibiotics, pesticides, food contaminants.
  • Analysis of complex natural product extracts,
  • Structure elucidation of complex pharmaceuticals and their metabolites,
  • Accurate-mass data analysis of environmental samples,
  • Differential analysis to identify impurities in pharmaceuticals
  • Characterization of unknown compounds,
  • Forensic and toxicological screening,
  • Profile-directed biomarker discovery.
  • Detection of pesticides in food matrices
  • Analysis of steroidal analogs
  • Determination of Fatty Acid Methyl Esters (FAMEs)
  • Determination of low and trace level polycyclic aromatic hydrocarbons (PAHs) in food samples
  • Detection of phthalates in food
  • Determination of chemical contaminants.
  • Analysis of PCBs in food and biological samples
  • High-throughput pesticides analysis
  • PCDD/F screening at the maximum residue level for food safety analysis
  • Quantitative dioxins screening at the level of interest in animal feed and food
  • Determination of anabolic steroids in human urine
  • Determination of organotins in water.


  • 2 Agilent 6490 with iFunnel technology Triple quandrupole LC/MS
  • 1 Agilent 6550 iFunnel LC/MS Q-TOF
  • 1 Agilent 6530 LC/MS Q-TOF
  • 1 Agilent 7200 Q-TOF for GC/MS
  • 1 Agilent Triple Quadrupole GC/MS
  • 1 Leco GCxGC-TOFMS
  • 1 Thermo Orbitrap Velos Pro
  • NMR 600 MHz Bruker Avance III spectrometer fitted with a cryoprobe and a SampleJet robot
  • NMR 500 MHz Bruker Avance III spectrometer coupled to an HR-MAS probe and a X-PRESS Sample Changer
  • Bravo liquid handling robot
  • Gilson liquid handling robot


  • Mass Profiler Professional (MPP) (Agilent)
  • MassHunter (Agilent)
  • SIEVE (Thermo)
  • Mass Frontier (Thermo)
  • XCMS (open-access)
  • TopSpin (Bruker)
  • AMIX (Bruker)
  • Chenomx NMR Siute (Chenomx Inc)
  • ChromaTOF (Leco)
  • Binbase (open access)

General Softwares

  • BioNumerics  (Applied-maths)
  • Gene Spring GX  (Agilent)