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Chembiochem. 2019 Apr 23. doi: 10.1002/cbic.201900228. [Epub ahead of print]

Automatically Full Glycan Structural Determination with Logically Derived Sequence Tandem Mass Spectrometry.

Author information

1
Academia Sinica, Institute of Atomic and Molecular Sciences, 1, Sec.4, Roosevelt Rd., 10617, Taipei, TAIWAN.
2
Academia Sinica, Institute of Atomic and Molecular Sciences, No.1, Sec. 4, Roosevelt, Rd, 10617, Taipei, TAIWAN.
3
Academia Sinica, Institute of Atomic and Molecular Sciences, No. 1. Sec. 4 Roosevelt Rd, 10617, Taipei, TAIWAN.
4
Academia Sinica, Institute of Atomic and Molecular Sciences, No. 1, Sec. 4, Roosevelt Rd., 10617, Taipei, TAIWAN.
5
Academia Sinica, Institute of Atomic and Molecular Sciences, No.1, Sec. 4 Roosevelt Rd., 10617, Taipei, TAIWAN.
6
Academia Sinica, Institute of Atomic and Molecular Sciences, No.1, Sec. 4, Roosevelt Rd., 10617, Taipei, TAIWAN.
7
Academia Sinica, Institute of Atomic and Molecular Sciences, No.1, Sec. 4, Roosevelt, Rd., 10617, Taipei, TAIWAN.

Abstract

Glycans have diverse functions and play vital roles in many biological systems such as influenza, vaccines, and cancer biomarkers. However, fully structural identification of glycans remains challenging. Glycan structure was conventionally determined by chemical methods or nuclear magnetic resonance spectroscopy which require a large amount of sample and are not readily applicable for glycans extracted from biological samples. Although it has a high sensitivity and widely used for structural determination of molecules, current mass spectrometry can only reveal parts of the glycan structure. Here we show the full structures of glycans, including diastereomers and anomericity of each monosaccharide and linkage position of each glycosidic bond, can be determined using tandem mass spectrometry guided by a logically derived sequence (LODES). This new method provides de novo oligosaccharide structural identifications with high sensitivity and was applied to automatically in situ structural determination of the oligosaccharides eluted by high performance liquid chromatography. We showed that the structure of a given trisaccharide from trisaccharide mixture and bovine milk were determined from near three thousand isomers by using six to seven logically selected collision inudced dissociation spectra. The entire procedure of mass spectrum measurement guided by LODES can be programmed in computer for automatically full glycan structural identification.

KEYWORDS:

CID; LODES; mass spectrometry; oligosaccharides; structure

PMID:
31016827
DOI:
10.1002/cbic.201900228

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