title: Database-dependent metabolite profiling focused on steroid and fatty acid derivatives using high-temperature gas chromatography-mass spectrometry.
abstract: BACKGROUND
  A database-dependent gas chromatography-mass spectrometry (GC-MS) based approach was developed for non-targeted metabolite profiling, focusing on 232 steroids, 24 fatty acids, 10 eicosanoids, 10 cannabinoids and 22 steroid-fatty acid esters in biological specimens.
  
  
  METHODS
  This method, used to search for potent biomarkers in lipid metabolism, included MS based analysis combined with high-temperature gas chromatographic (HTGC) separation of biological metabolites, statistical clustering and an in-house database (DB) searching.
  
  
  RESULTS
  The HTGC technique showed better detectability of high lipophilic compounds, particularly steroid-fatty acid esters, which generally have poor chromatographic properties on a conventional GC column. The in-house DB search consisted of the retention index and mass spectrum corresponding to each compound selected. The method was applied to tissue samples obtained from cardiac hypertrophy-induced mice. Increased levels of palmitic, linoleic, oleic, and stearic acids and cholesterol were detected and identified.
  
  
  CONCLUSIONS
  This data-dependent non-targeted metabolite profiling technique could be more effective in biomarker studies associated with the steroid and lipid metabolism than commercially available DBs.
authors.affiliation: Life/Health Division, Korea Institute of Science and Technology, Seoul 136-791, Republic of Korea.
authors.forename: Hyun-Jin
authors.initials: HJ
authors.lastname: Jung
authors.forename: Won-Yong
authors.initials: WY
authors.lastname: Lee
authors.forename: Young Sook
authors.initials: YS
authors.lastname: Yoo
authors.forename: Bong Chul
authors.initials: BC
authors.lastname: Chung
authors.forename: Man Ho
authors.initials: MH
authors.lastname: Choi
mesh_terms: D000818:Animals; D006332:Cardiomegaly / Q000175:diagnosis / Q000235:genetics; D016208:Databases, Factual / Q000592:standards; D005227:Fatty Acids / Q000235:genetics / Q000378:metabolism*; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D020869:Gene Expression Profiling / Q000379:methods / Q000592:standards; D008297:Male; D051379:Mice; D008810:Mice, Inbred C57BL; D013256:Steroids / Q000378:metabolism*
chemical_list: D005227:Fatty Acids; D013256:Steroids