Development of a cyclic ion mobility spectrometry-mass spectrometry-based collision cross-section database of permethylated human milk oligosaccharides

IF 1.9 3区 化学 Q3 BIOCHEMICAL RESEARCH METHODS
Sanaz C. Habibi, Victoria R. Bradford, Sophie C. Baird, Shadrack Wilson Lucas, Christopher D. Chouinard, Gabe Nagy
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Abstract

Human milk oligosaccharides (HMOs) are an important class of biomolecules responsible for the healthy development of the brain-gut axis of infants. Unfortunately, their accurate characterization is largely precluded due to a variety of reasons – there are over 200 possible HMO structures whereas only 10s of these are available as authentic analytical standards. Furthermore, their isomeric heterogeneity stemming from their many possible glycosidic linkage positions and corresponding α/β anomericities further complicates their analyses. While liquid chromatography coupled to tandem mass spectrometry remains the gold standard for HMO analyses, it often times cannot resolve all possible isomeric species and thus warrants the development of other orthogonal approaches. High-resolution ion mobility spectrometry coupled to mass spectrometry has emerged as a rapid alternative to condensed-phase separations but largely has remained limited to qualitative information related to the resolution of isomers. In this work, we have assessed the use of permethylation to improve both the resolution and sensitivity of HMO analyses with cyclic ion mobility separations coupled with mass spectrometry. In addition to this, we have developed the first-ever high-resolution collision cross-section database for permethylated HMOs using our previously established calibration protocol. We envision that this internal reference database generated from high-resolution cyclic ion mobility spectrometry-mass spectrometry will greatly aid in the accurate characterization of HMOs and provide a valuable, orthogonal, approach to existing liquid chromatography–tandem mass spectrometry-based methods.

Abstract Image

开发基于循环离子迁移谱-质谱法的过甲基化人乳寡糖碰撞截面数据库。
人乳寡糖(HMOs)是一类重要的生物大分子,对婴儿大脑-肠轴的健康发育起着重要作用。遗憾的是,由于种种原因,对其进行准确表征在很大程度上是不可能的--可能的 HMO 结构有 200 多种,而其中只有数十种可以作为真实的分析标准。此外,它们的异构体异质性源于许多可能的糖苷键位置和相应的 α/β 异构体,这使它们的分析更加复杂。虽然液相色谱-串联质谱法仍是 HMO 分析的黄金标准,但它往往无法解析所有可能的异构体,因此需要开发其他正交方法。高分辨率离子迁移谱-质谱联用法作为凝聚相分离的快速替代方法已经出现,但在很大程度上仍局限于与异构体分辨相关的定性信息。在这项工作中,我们评估了如何利用过甲基化来提高利用循环离子迁移率分离质谱法进行 HMO 分析的分辨率和灵敏度。此外,我们还利用之前建立的校准协议,首次开发了过甲基化 HMO 的高分辨率碰撞截面数据库。我们预计,这个由高分辨率环离子迁移谱-质谱法生成的内部参考数据库将大大有助于准确表征 HMO,并为现有的基于液相色谱-串联质谱法的方法提供一种宝贵的正交方法。
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来源期刊
Journal of Mass Spectrometry
Journal of Mass Spectrometry 化学-光谱学
CiteScore
5.10
自引率
0.00%
发文量
84
审稿时长
1.5 months
期刊介绍: The Journal of Mass Spectrometry publishes papers on a broad range of topics of interest to scientists working in both fundamental and applied areas involving the study of gaseous ions. The aim of JMS is to serve the scientific community with information provided and arranged to help senior investigators to better stay abreast of new discoveries and studies in their own field, to make them aware of events and developments in associated fields, and to provide students and newcomers the basic tools with which to learn fundamental and applied aspects of mass spectrometry.
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