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

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 deco...

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Bibliographic Details
Published in:Rapid communications in mass spectrometry 1999-02, Vol.13 (4), p.279-284
Main Authors: Halket, John M., Przyborowska, Anna, Stein, Stephen E., Mallard, W. Gary, Down, Stephen, Chalmers, Ronald A.
Format: Article
Language:English
Subjects:
Acyl-CoA Dehydrogenase
Autoanalysis
Child, Preschool
Dicarboxylic Acids - urine
Fatty Acid Desaturases - deficiency
Gas Chromatography-Mass Spectrometry - methods
Glutarates - urine
Humans
Infant
Meglutol - urine
Metabolism, Inborn Errors - diagnosis
Metabolism, Inborn Errors - urine
Methylmalonic Acid - urine
Pattern Recognition, Automated
Pentanoic Acids - blood
Propionates - blood
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Summary: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. Copyright © 1999 John Wiley & Sons, Ltd.
ISSN:0951-4198
1097-0231
DOI:10.1002/(SICI)1097-0231(19990228)13:4<279::AID-RCM478>3.0.CO;2-I