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Int. J. Mol. Sci. 2014, 15(4), 6527-6543; doi:10.3390/ijms15046527
Article

MALDI Q-TOF CID MS for Diagnostic Ion Screening of Human Milk Oligosaccharide Samples

1,* , 2
, 3
 and 1,4
Received: 20 March 2014; in revised form: 1 April 2014 / Accepted: 8 April 2014 / Published: 16 April 2014
(This article belongs to the Special Issue Mass Spectrometry Application in Biology)
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Abstract: Human milk oligosaccharides (HMO) represent the bioactive components of human milk, influencing the infant’s gastrointestinal microflora and immune system. Structurally, they represent a highly complex class of analyte, where the main core oligosaccharide structures are built from galactose and N-acetylglucosamine, linked by 1-3 or 1-4 glycosidic linkages and potentially modified with fucose and sialic acid residues. The core structures can be linear or branched. Additional structural complexity in samples can be induced by endogenous exoglycosidase activity or chemical procedures during the sample preparation. Here, we show that using matrix-assisted laser desorption/ionization (MALDI) quadrupole-time-of-flight (Q-TOF) collision-induced dissociation (CID) as a fast screening method, diagnostic structural information about single oligosaccharide components present in a complex mixture can be obtained. According to sequencing data on 14 out of 22 parent ions detected in a single high molecular weight oligosaccharide chromatographic fraction, 20 different oligosaccharide structure types, corresponding to over 30 isomeric oligosaccharide structures and over 100 possible HMO isomers when biosynthetic linkage variations were taken into account, were postulated. For MS/MS data analysis, we used the de novo sequencing approach using diagnostic ion analysis on reduced oligosaccharides by following known biosynthetic rules. Using this approach, de novo characterization has been achieved also for the structures, which could not have been predicted.
Keywords: human milk oligosaccharides; MALDI Q-TOF (matrix-assisted laser desorption/ionization quadrupole-time-of-flight) MS (mass spectrometry); CID (collision-induced dissociation); diagnostic ion MS; de novo sequencing human milk oligosaccharides; MALDI Q-TOF (matrix-assisted laser desorption/ionization quadrupole-time-of-flight) MS (mass spectrometry); CID (collision-induced dissociation); diagnostic ion MS; de novo sequencing
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Jovanović, M.; Tyldesley-Worster, R.; Pohlentz, G.; Peter-Katalinić, J. MALDI Q-TOF CID MS for Diagnostic Ion Screening of Human Milk Oligosaccharide Samples. Int. J. Mol. Sci. 2014, 15, 6527-6543.

AMA Style

Jovanović M, Tyldesley-Worster R, Pohlentz G, Peter-Katalinić J. MALDI Q-TOF CID MS for Diagnostic Ion Screening of Human Milk Oligosaccharide Samples. International Journal of Molecular Sciences. 2014; 15(4):6527-6543.

Chicago/Turabian Style

Jovanović, Marko; Tyldesley-Worster, Richard; Pohlentz, Gottfried; Peter-Katalinić, Jasna. 2014. "MALDI Q-TOF CID MS for Diagnostic Ion Screening of Human Milk Oligosaccharide Samples." Int. J. Mol. Sci. 15, no. 4: 6527-6543.



Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert