Center for the Development of Therapies for Civilization and Age-Related Diseases

Small Molecule Analysis Laboratory (SMAL)

Laboratory of Small Molecule Analysis 

The Laboratory of Small Molecule Analysis at CDT-CARD offers a wide range of analytical services, including high-performance liquid chromatography coupled with low- or high-resolution mass spectrometry, gas chromatography coupled with mass spectrometry, headspace gas chromatography with FID detection, and capillary electrophoresis coupled with low-resolution mass spectrometry. 

 

Standard Method Capabilities: 

  1. LC/MS or MS analysis (direct infusion of analytes into the ion source) using positive (+) and negative (–) ionization modes in a single run –  routine confirmation of the identity and purity of compounds with masses up to 2 kDa (e.g., related substances and other organic impurities).
  2. LC-MS/MS and MS/MS (fragmentation) – analysis of up to 30 ions in a single run for detailed fragmentation studies.
  3. Thermodynamic and kinetic solubility determination using LC/MS for concentrations up to 50 mg/mL.
  4. Buffer stability studies – determination of degradation constants (k) with the option to measure m/z of the degradation products and fragmentation for structural elucidation.
  5. Quantitative analysis of ionizable compounds – m/z range up to 2000, including quantification of active molecules and their metabolites in biological samples (e.g., bodily fluids, tissue homogenates, plant extracts).
  6. High-resolution UHPLC/MS and UHPLC-MS/MS:
  • m/z range 100–2000, in positive (+) or negative (–) ionization modes.   
  • Useful for elemental composition verification and structural elucidation of new compounds (e.g., biotransformation or degradation products).   
  • Supports untargeted fragmentation (MSE) with simultaneous detection of all ions and generation of standard MS spectra in one run. 
  1. DESI Imaging (Desorption Electrospray Ionization):  
  • Imaging of tissue sections integrated with standard analytical methods (MS, MS/MS, IMS/MS).   
  • Particularly suited for spatial distribution mapping of compounds (e.g., drug candidates, metabolites, small endogenous molecules, lipids, xenobiotics) in tissues for m/z up to 1000.   
  • Both targeted (specific m/z) and untargeted (full-scan 100–1000 m/z) analyses are available. 
  1. Headspace-GC with FID Detection:
  • The laboratory currently has a validated method for the determination of solvent residues, compliant with ICH Q3C guidelines. The method offers high sensitivity, allowing analysis with as little as 10 mg of sample. 
  • This system is also used for analyzing volatile compounds in complex matrices, such as ointments, gels, blood, and tissue homogenates. 
  1. GC-MS analysis:  
  • Routine analysis of volatile compounds (e.g., essential oils, mineral oils, solvents) in liquid samples using mass spectrometric detection. 
  1. CE/MS Analysis:  
  • Quantification of small ions (e.g., chlorides, oxalates, lactates, potassium) in complex matrices using capillary electrophoresis coupled with mass spectrometry.

Custom Analysis: 

For non-standard analyses, the laboratory provides method selection and development tailored to the specific needs of the task. 


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