首页> 外文期刊>Journal of mass spectrometry: JMS >Identification of glucosinolates in capers by LC-ESI-hybrid linear ion trap with Fourier transform ion cyclotron resonance mass spectrometry (LC-ESI-LTQ-FTICR MS) and infrared multiphoton dissociation
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Identification of glucosinolates in capers by LC-ESI-hybrid linear ion trap with Fourier transform ion cyclotron resonance mass spectrometry (LC-ESI-LTQ-FTICR MS) and infrared multiphoton dissociation

机译:LC-ESI-混合线性离子阱,傅立叶变换离子回旋共振质谱(LC-ESI-LTQ-FTICR MS)和红外多光子离解法鉴定刺山柑中的芥子油苷

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摘要

An liquid chromatography-mass spectrometry method using electrospray ionization in negative ion mode coupled with a hybrid quadrupole linear ion trap and Fourier transform ion cyclotron resonance (FTICR) mass spectrometer was applied to characterize of intact glucosinolates (GLSs) in crude sample extracts of wild bud flowers of Capparis spinosa (Capparis species, family Capparaceae). Structural information of GLSs was obtained upon precursor ions' isolation within the FTICR trapping cell and subsequent fragmentation induced by infrared multiphoton dissociation (IRMPD). Such a fragmentation was found very useful in terms of chemical identification of all precursor ions [M-H] ~- including sulfur-rich GLSs reported here for the first time. Along with most common GLSs already found in capers such as glucocapparin, isopropyl-propyl- GLS, mercapto-glucocapparin, and two indolic GLS, i.e., 4-hydroxyglucobrassicin and glucobrassicin, the occurrence of the uncommon glycinyl-glucocapparin as well as two sulfur-rich GLSs is reported. IRMPD showed an increased selectivity towards disulfide bond cleavages with thiol migration, suggesting the side chain structure of non-targeted compounds, i.e., disulfanyl-glucocapparin and trisulfanyl-glucocapparin. Glucocapparin [2.05 ± 0.25 mg/g, dry weight (dw)] was the most abundant GLS, followed by glucobrassicin (232 ± 18 μg/g, dw) and 4-hydroxyglucobrassicin (89 ± 12 μg/g, dw). All other compounds were present at very low content ranging from 0.5 to 1.5 μg/g dw.
机译:采用负离子模式电喷雾电离结合混合四极线性离子阱和傅立叶变换离子回旋共振(FTICR)质谱仪的液相色谱-质谱法来表征野生芽粗样品提取物中的完整芥子油苷(GLSs) Capparis spinosa(Capparis种类,Capparaceae家族)的花。 GLS的结构信息是在FTICR捕集池中分离前体离子并随后通过红外多光子离解(IRMPD)诱导碎裂后获得的。发现这种碎片化对于从本文首次报道的所有前体离子[M-H]-包括富硫GLS的化学鉴定而言非常有用。连同已在雀跃中发现的最常见的GLS,例如葡萄糖Capparin,异丙基/正丙基-GLS,巯基-葡萄糖Capparin和两种吲哚类GLS,即4-羟基葡萄糖brassicin和glucobrassicin,不常见的glycinyl-glucocapparin以及两种据报道富含硫的GLS。 IRMPD显示出随着硫醇迁移而对二硫键裂解的选择性增加,这表明非靶向化合物即二硫烷基-葡糖基肝素和三硫烷基-葡糖基肝素的侧链结构。葡糖肝素[2.05±0.25 mg / g,干重(dw)]是最丰富的GLS,其次是葡糖溴素(232±18μg/ g,dw)和4-羟基葡糖素(89±12μg/ g,dw)。所有其他化合物的含量非常低,为0.5至1.5μg/ g dw。

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