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Structure Identification

BOC Sciences has an experienced professional team that can identify a large number of compounds and provide structural identification technical services for global customers.

Technical Capabilities (Including but not limited to the following abilities)

  • Nuclear Magnetic Resonance Spectroscopy (NMR)

NMR is an important means of compound structure identification. According to the different measurement objects, NMR can be divided into hydrogen spectrum, carbon spectrum, fluorine spectrum, phosphorus spectrum, nitrogen spectrum and so on. Among them, hydrogen spectrum and carbon spectrum are the most widely used. Structural identification by NMR generally identifies groups based on chemical shifts; determines the connection relationship between groups based on the number of coupling split peaks and coupling constants; determines the proton ratio of each group based on the integrated area of each peak. NMR spectroscopy can be used in studies of chemical kinetics, chemical pathways and reaction mechanisms, and structural analysis. Isotope labeling technology has played a significant role in promoting NMR research.

  • Mass Spectrometry (MS)

Mass spectrometry has the advantages of high sensitivity and low compound dosage, and can accurately determine the molecular formula, structural formula and relative molecular mass of the compound. At present, our mass spectrometers mainly include organic mass spectrometers, inorganic mass spectrometers and isotope mass spectrometers. Among them, the organic mass spectrometer is mainly used for the identification of the structure of organic compounds. Inorganic mass spectrometers are mainly used in trace analysis and isotope analysis of inorganic elements. Isotope mass spectrometer is mainly used in the analysis of isotopic mass and relative content of gas compounds.

  • Hydrogen-Deuterium Exchange (HDX)

As a new technology to improve mass spectrometry, HDX uses the difference in atomic mass between hydrogen and its isotope deuterium to determine the number of active hydrogen in the molecule. HDX is widely used in structural analysis and determination. We combine the hydrogen-deuterium exchange method with MS, liquid chromatography-mass spectrometry (LC-MS) and other analytical techniques for the structural identification of compounds. Hydrogen-deuterium exchange mass spectrometry (HDX-MS) can identify protein surface amino acid sequences and protein interaction sites, etc., and is an important tool for studying protein structure. HDX combined with LC-MS (HDX-LC-MS) technology is commonly used in proteomics for the study of higher protein structures.

HDX-MS analysis processFig. 1 HDX-MS analysis process

Structural Identification Service Process

  • Customers provide samples
  1. Customers contact us or consult us.
  2. Customers send samples.
  3. We conduct a preliminary inspection to determine follow-up projects.
  4. We make quotations according to samples and customer needs.
  5. Both parties confirm, sign a confidentiality agreement, and start the experiment.
  6. We complete the experiment.
  7. We issue a structural appraisal report.
  • Customers provide spectrum
  1. Customers provide nuclear magnetic resonance (NMR), mass spectrometry (MS) spectra
  2. We analyze the structure according to the spectrum, and quote according to multiple factors such as the complexity of the structure
  3. Both parties sign the contract and confidentiality agreement
  4. We send compound structures and references. The client makes the determination
  5. We send back the structural appraisal report

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