School of Science, Constructor University, Bremen, Germany.
Institute of Physical Chemistry Rocasolano, Madrid, Spain.
J Mass Spectrom. 2023 Oct;58(10):e4972. doi: 10.1002/jms.4972. Epub 2023 Aug 23.
The fragmentation mechanism of D-glucose was investigated in detail by two different fragmentation techniques, namely, collision-induced dissociation (CID) and infrared multiphoton dissociation (IRMPD) using all six C-labeled isotopomers and H-labeled isotopomers. For both CID and IRMPD energy-resolved measurements were carried out. Individual fragmentation pathways were studied at MS and MS levels. Additionally, we have developed an HPLC-tandem MS method to separate the anomers of D-glucose using a HILIC column and investigated their fragmentation patterns individually. We propose a complete fragmentation landscape of D-glucose, demonstrating that a rather simple multifunctional molecule displays extreme complexity in gas phase dissociation, following multiple parallel fragmentation routes yielding a total of 23 distinct fragment ions. The results allowed a detailed formulation of the complex fragmentation mechanism of D-glucose. The results have immediate consequences for the full structure analysis of complex carbohydrates.
详细研究了 D-葡萄糖的碎裂机制，分别采用两种不同的碎裂技术，即碰撞诱导解离（CID）和红外多光子解离（IRMPD），并使用了所有六个 ¹³C 标记的同位素异构体和 ¹H 标记的同位素异构体。对 CID 和 IRMPD 进行了能量分辨测量。在 MS 和 MS 水平上研究了各个碎裂途径。此外，我们还开发了一种 HPLC-串联 MS 方法，使用 HILIC 柱分离 D-葡萄糖的异头物，并单独研究它们的碎裂模式。我们提出了 D-葡萄糖的完整碎裂图谱，表明一个相当简单的多功能分子在气相解离中表现出极端的复杂性，遵循多种平行的碎裂途径，产生了总共 23 个不同的碎片离子。结果允许详细制定 D-葡萄糖的复杂碎裂机制。这些结果对复杂碳水化合物的全结构分析具有直接影响。
