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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

Živković Semren, Tanja ; Brčić Karačonji, Irena ; Jurič, Andreja ; Brajenović, Nataša ; Tariba Lovaković, Blanka ; Pizent Alica Tools for the identification of unknown compounds after gas chromatographic-mass spectrometric (GC-MS) analysis of urinary volatile organic metabolites (VOMs) / Matović, Vesna (ur.). Beograd: Serbian Society of Toxicology, 2018. str. 94-94

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

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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

Povezanost rada

Javno zdravstvo i zdravstvena zaštita, Kemija