Tools for the identification of unknown compounds after gas chromatographic-mass spectrometric (GC-MS) analysis of urinary volatile organic metabolites (VOMs) (CROSBI ID 661291)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Živković Semren, Tanja ; Brčić Karačonji, Irena ; Jurič, Andreja ; Brajenović, Nataša ; Tariba Lovaković, Blanka ; Pizent Alica
engleski
Tools for the identification of unknown compounds after gas chromatographic-mass spectrometric (GC-MS) analysis of urinary volatile organic metabolites (VOMs)
Volatile organic metabolites (VOMs) in human urine can be used in non-targeted metabolomics research to identify specific metabolites that may be useful as new diagnostic, predictive, and prognostic disease biomarkers. Determination of urinary metabolite profile provides novel information on phenotypic characteristics of an organism that cannot be obtained from target measurement. The headspace-solid phase microextraction (HS-SPME) technique coupled with gas chromatography-mass spectrometry (GC-MS) proved to be the most successful in VOMs analysis. After data processing of raw GC-MS data crucial step is to identify compounds of interest. Due to the complexity of the matrix, wide chemical diversity of the metabolites and their wide concentration range, metabolite identification is intrinsically difficult. In our laboratory, we use automated mass spectral deconvolution and identification system (AMDIS) for identification of unknown VOMs. AMDIS first deconvolutes the raw GCMS data file to find all components, and then compare mass spectral data against a library of target compound (e.g. National Institute of Standards (NIST) mass spectral library). To reduce possible solutions of identification offered by NIST Kovats retention index (RI) is used. A Kovats retention index system uses a series of standards, homologous series of n-alkanes applied as reference peak. Despite some limitations, presented methods could be very useful in VOMs identification. To confirm identification of unknown VOMs unequivocally, analysis of available analytical standards using the same GC-MS conditions is recommended.
metabolomics, HS-SPME, AMDIS, Kovats retention index, NIST
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
nije evidentirano
Podaci o prilogu
94-94.
2018.
objavljeno
Podaci o matičnoj publikaciji
Matović, Vesna
Beograd: Serbian Society of Toxicology
978-86-917867-1-7
Podaci o skupu
10th Congress of Toxicology in Developing Countries (CTDC 10) ; 12th Serbian Congress of Toxicology
poster
18.04.2018-21.04.2018
Beograd, Srbija