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Deconvolution gas chromatography/mass spectrometry of urinary organic acids – potential for pattern recognition and automated identification of metabolic disorders

✍ Scribed by John M. Halket; Anna Przyborowska; Stephen E. Stein; W. Gary Mallard; Stephen Down; Ronald A. Chalmers


Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
87 KB
Volume
13
Category
Article
ISSN
0951-4198

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✦ Synopsis


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.