A comparison of electrospray tandem mass spectra of some derivatives of sialic acid: ion trap and high resolution QqToF mass spectrometers

T13N2

A.O. Chizhov, A.M. Spirt1, N.Y. Savel’eva, L.O. Kononov

Using O-acetyl-N-acyl derivatives of O-methyl sialoside methyl esters it was shown that an ion trap and a hybrid analyzer (linear quadrupole — time-of-flight analyzer, reflectron) give comparable, though not identical secondary order mass spectra for the [M+Na]+ and [M+K]+ ions. A parallel use of an ion trap and a hybrid QqToF instrument makes possible to get information on fragmentation pathways of ions of sialic acid derivatives under collisional activation. In this case, a sequence of fragmentation may be established using an ion trap, whereas a QqToF instrument gives a possibility to reveal elemental composition of fragment ions quickly and unequivocally.

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T13N2

Contents

 

81 Игорь Александрович Ревельский (к восьмидесятилетию со дня рождения)

 

Todua_Graf

83 Mass spectrometry of analytical derivatives. 2. “Ortho”
and “Para” effects in electron ionization mass spectra
of derivatives of hydroxy, mercapto and amino benzoic acids

N.G. Todua, A.I. Mikaia

 

Kozlov_Graf

95 Investigation of organic sulfides in the form of sulfonium salts
by “soft” ionization mass spectrometric methods

A.V. Kozlov, R.S. Borisov, V.G. Zaikin

 

Pavlov_Graf

103 Synthesis of ion-optical devices for transportation
of charged particle beams in mass spectrometers

V.V. Pavlov, N.K. Krasnova

 

Amelin_Graf

111 Features of determination of residual amounts
of chloramphenicol and tetracycline in food by high performance liquid
chromatography/high resolution quadrupole time-of-flight mass spectrometry

V.G. Amelin, N.M. Fedina, A.I. Korotkov

 

Shevlyakova_Graf

117 Detection of metabolites of flavonoids Epimedium in rats urine
by high performance liquid chromatography-high-resolution
tandem mass spectrometry

O.A. Shevlyakova, K.J. Vasil’yev, A.A. Ihalaynen,
A.M. Antokhin, V.F. Taranchenko, V.M. Goncharov,
A.V. Aksenov, D.A. Mitrofanov, I.A. Rodin, O.A. Shpigun

 

Raznikov_Graf

124 Disentangling of information about the structure
of biomolecules based on decomposition and separation
of two-dimensional charge distributions of ions

V.V. Raznikov, M.O. Raznikova, M.L. Pridatchenko

 

Kuleshov_Graf

132 Application of high-performance liquid chromatography / high 
resolution mass spectrometry for investigation 
of sodium 2,3-disulfanyl-1-propanesulfonate (unithiol) 
and products of its oxidation with hydrogen peroxide

D.O. Kuleshov, T.E. Berezkina, Y. V. Russkikh, E. N. Chernova,
Z. A. Zhakovskaya, S.V. Masyukevich, L.N. Gall, N.R. Gall

 

Chijov_Graf

139 A comparison of electrospray tandem mass spectra
of some derivatives of sialic acid: ion trap
and high resolution QqToF mass spectrometers

A.O. Chizhov, A.M. Spirt, N.Y. Savel’eva, L.O. Kononov

 

144 Информация о защищенных диссертациях по масс-спектрометрии

 

146 Памяти Анатолия Марковича Зякуна 

Application of high-performance liquid chromatography / high resolution mass spectrometry for investigation of sodium 2,3-disulfanyl- 1-propanesulfonate (unithiol) and products of its oxidation with hydrogen peroxide

T13N2

D.O. Kuleshov, T.E. Berezkina, Y. V. Russkikh, E. N. Chernova, Z. A. Zhakovskaya,
S.V. Masyukevich, L.N. Gall, N.R. Gall

High-performance liquid chromatography combined with high resolution mass spectrometry has been used to study soft oxidation of sodium 2,3-disulfanyl-1-propanesulfonate (unithiol) with hydrogen peroxide; reference peaks were identified for initial substance and reaction products. The possibility to use high-performance liquid chromatography with high resolution mass spectrometry for Sokolovsky thiol-disulphide test has been shown.

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Disentangling of information about the structure of biomolecules based on decomposition and separation of two-dimensional charge distributions of ions 

T13N2

V.V. Raznikov, M.O. Raznikova, M.L. Pridatchenko Далее

Detection of metabolites of flavonoids Epimedium in rats urine by high performance liquid chromatography-high-resolution tandem mass spectrometry

T13N2

O.A. Shevlyakova, K.J. Vasil’yev, A.A. Ihalaynen, A.M. Antokhin, V.F. Taranchenko,
V.M. Goncharov, A.V. Aksenov, D.A. Mitrofanov, I.A. Rodin, O.A. Shpigun Далее

Synthesis of ion-optical devices for transportation of charged particle beams in mass spectrometers

T13N2

V.V. Pavlov, N.K. Krasnova Далее

Mass spectrometry of analytical derivatives. 2. “Ortho” and “Para” effects in electron ionization mass spectra of derivatives of hydroxy, mercapto and amino benzoic acids

T13N2

Нино Гурамовна Тодуа, Анзор Иванович Микая

Derivatives requiring either anhydrous or aqueous reaction conditions were prepared for robust and reliable gas chromatography/mass spectrometry (GC/MS) characterization of hydroxyl, mercapto, and amino benzoic acids. Methylation and trialkylsilylation are employed for blocking the acidic function. Alkyl, trimethylsilyl, acetyl, perfluoroacyl and alkoxycarbonyl derivatization groups are introduced to hydroxyl, mercapto and amino functions. The electron ionization induced fragmentation characteristics of corresponding derivatives are explained by comparing the MS1 spectra of unlabeled compounds to their 2H and 13C labeled analogs, and analysis of collision-induced dissociation data from MS2 spectra. Competing fragmentation alternatives are identified and specific decomposition processes are detailed that characterize (a) ortho isomers due to interaction of vicinal functional substituents and (b) para isomers prone to forming para quinoid type structures. Skeletal and hydrogen rearrangements typical for methyl benzoates and the blocking groups are considered when discussing diagnostically important ions. Characteristic ions produced as a result of rearrangements in ortho isomers are classified, and skeletal rearrangements required to produce para quinoid type ions specific for para isomers are noted. Key ions for structure elucidation and differentiation of isomers for derivatives of substituted benzoic acids by GC/MS are suggested.

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