Human Metabolite Identification Through Web-based Applications

• Author / Creator

  Li, Ronghong

• High throughput bio-technologies in chemistry experiments generate a huge amount of data. These data are awaiting to be analyzed for knowledge discovery.
  In this work, we have developed a web-based resource MyCompoundID for compound identification. Our base database contains 8,021 metabolite substrates imported from Human Metabolome Database, and we adopt 76 the most commonly encountered biotransformations collected from the literature. We first expand the database to include all the pseudo metabolic products for up to two reactions, which are filtered by multiple levels of restrictions we specified. Using MyCompoundID for compound identification, either through mass queries or MS/MS spectrum queries, can identify many more unknown metabolites than using the existing works.

• Subjects / Keywords

  • MyCompoundID
  • Metabolic reaction
  • Web-based application
  • Mass-spectrometry
  • Biotransformation
  • Human metabolite

• Graduation date

  Fall 2013

• Type of Item

  Thesis

• Degree

  Master of Science

• DOI

  https://doi.org/10.7939/R3Q69V

• License

  This thesis is made available by the University of Alberta Libraries with permission of the copyright owner solely for non-commercial purposes. This thesis, or any portion thereof, may not otherwise be copied or reproduced without the written consent of the copyright owner, except to the extent permitted by Canadian copyright law.