title: Deconvolution gas chromatography/mass spectrometry of urinary organic acids--potential for pattern recognition and automated identification of metabolic disorders.
abstract: The National Institute of Standards and Technology (NIST) Automated Mass Spectral Deconvolution and Identification System (AMDIS) is applied to a selection of data files obtained from the gas chromatography/mass spectrometry (GC/MS) analysis of urinary organic acids. Mass spectra obtained after deconvolution are compared with a special user library containing both the mass spectra and retention indices of ethoxime-trimethylsilyl (EO-TMS) derivatives of a set of organic acids. Efficient identification of components is achieved and the potential of the procedure for automated diagnosis of inborn errors of metabolism and for related research is demonstrated.
authors: Centre for Chemical Sciences, Royal Holloway, University of London, Egham, UK.
authors: J M
authors: JM
authors: Halket
authors: A
authors: A
authors: Przyborowska
authors: S E
authors: SE
authors: Stein
authors: W G
authors: WG
authors: Mallard
authors: S
authors: S
authors: Down
authors: R A
authors: RA
authors: Chalmers
mesh_terms: D042964:Acyl-CoA Dehydrogenase; D001322:Autoanalysis; D002675:Child, Preschool; D003998:Dicarboxylic Acids / Q000652:urine*; D044943:Fatty Acid Desaturases / Q000172:deficiency; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D005977:Glutarates / Q000652:urine; D045782:Hemiterpenes; D006801:Humans; D007223:Infant; D015093:Meglutol / Q000652:urine; D008661:Metabolism, Inborn Errors / Q000175:diagnosis* / Q000652:urine*; D008764:Methylmalonic Acid / Q000652:urine; D010363:Pattern Recognition, Automated; D010421:Pentanoic Acids / Q000097:blood; D011422:Propionates / Q000097:blood
chemical_list: D003998:Dicarboxylic Acids; D005977:Glutarates; D045782:Hemiterpenes; D010421:Pentanoic Acids; D011422:Propionates; C008216:isovaleric acid; D008764:Methylmalonic Acid; D015093:Meglutol; D044943:Fatty Acid Desaturases; D042964:Acyl-CoA Dehydrogenase; C035736:glutaric acid; C029658:propionic acid