Electrospray ionization ion-trap multistage mass spectrometric study of sodium cationized aldobiuronic and pseudoaldobiuronic acid derivatives |
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Authors: | Kovácik Vladimír Bekesová Slávka Tvaroska Igor Hirsch Ján Chmelík Josef |
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Institution: | Institute of Chemistry, Slovak Academy of Sciences, Dúbravská cesta 9, 84258 Bratislava, Slovakia. |
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Abstract: | Fragmentation mechanisms of electrospray ionization (ESI) mass spectrometry of aldobiuronic and pseudoaldobiuronic acid derivatives were elucidated by multistage mass spectrometric (MS(n), n = 2-5) measurements of selected ions. Characteristic under the conditions of ESI-MS analysis is the production of alkali metal (Na and K) cationized adducts. The probability the of locations of Na cations in per-O-methylated compounds was proved by quantum chemical calculations, using the Jaguar program. The most probably position of alkali metal attachment is the carboxy group of the methoxycarbonyl C-5 group of the uronic acid unit. Characteristic cleavages vary according the kind of O-derivatization. In most cases they take place on the acidic part of the dimer and at the interglycosidic oxygen atom. As a result, the criteria for the differentiation of aldobiouronic and pseudoaldobiouronic acids derivatives were elucidated. |
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Keywords: | electrospray ionization multistage mass spectra aldobiuronic acid derivatives pseudoaldobiuronic acid derivatives quantum chemical calculations |
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