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国家自然科学基金(20475059)

作品数:5 被引量:29H指数:3
相关作者:苏越郭寅龙姬厚伟苏式兵廖远熹更多>>
相关机构:中国科学院上海中医药大学中国药科大学更多>>
发文基金:国家自然科学基金更多>>
相关领域:理学医药卫生更多>>

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Detection of Radical Adducts with Small Molecular Weights by Matrix-Assisted Laser Desorption/Ionization with Fourier Transform Mass Spectrometry被引量:1
2007年
As an alternative method, matrix-assisted laser desorption/ionization with Fourier transform mass spectrometry (MALDI-FTMS) has been successfully used to detect and identify free radical adducts with small molecular weights of hydroxyl and 2-cyano-2-propyl radicals trapped with 5,5-dimethylpyrroline N-oxide (DMPO). The detection and identification by MS/MS experiments using sustained offresonance irradiation collision-induced dissociation (SORI-CID) of [(DMPO+·OH-·H)+H^+] (m/z 130.0868) and [DMPO+2 ·CH(CH3)2CN+H^+] (m/z 250.1917) have demonstrated that MALDI-FTMS could be an effective method for detection and identification of free radical adducts. Other radical adducts have been also detected and identified. The approach of MALDI-FTMS is simple, fast, and sensitive which has potential for high-throughput analysis.
田耀伟孙世豪谢剑平宗永立聂聪郭寅龙
关键词:DMPO
气相色谱/离子阱质谱中组分图谱提取的主成分分析方法被引量:9
2007年
由于离子阱质谱中容易发生分子-离子反应,致使质谱图发生改变,影响与主要由四极质谱建立的参照图谱的匹配效果.本文采用主成分分析方法对气相色谱/离子阱质谱中组成色谱峰的所有全扫描质谱进行提取,提取后的质谱图能够有效克服分子-离子反应和基线干扰的影响,应用不同的匹配算法均能很好地和参照图谱匹配,和传统方法相比匹配度显著提高,对目标化合物定性准确.
苏越廖远熹郭寅龙
关键词:主成分分析离子阱质谱
Comparative Analysis of the Volatile Components in the Fresh Roots and Rhizomes of Curcuma wenyujin by Static Headspace Gas Chromatography Mass Spectrometry被引量:5
2006年
Static headspace GC-MS method coupled with H/D exchange was firstly developed to determine and identify the volatile components in the fresh root and rhizome of Curcuma wenyujin. The TIC chromatograms of 3 batches of fresh roots harvested at different time showed significant difference in the volatile components: the constitution was the same but the content of them was different. More than 60 volatile components in fresh roots (Root of C. wenyujin) and rhizomes (Rhizome of C. wenyujin) of C. wenyujin were detected, of which 51 and 48 volatile components were identified respectively. The fresh roots and rhizomes of C. wenyujin were found to have the similar volatile components. The contents of these components were calibrated by the response of β-elemene. In addition, the principal active component, β-elemene, was further confirmed and relatively quantified by its standard. γ-terpinene showed obvious allylic hydrogen/deuterium exchange using deuterium oxide which gave a new method to identify some compounds containing allylic hydrogen. At the same time, the active hydrogen compounds were also further confirmed. The results show that HS-GC-MS of volatile components from medical plants. method is a fast, simple and efficient way for the analysis
方芳程志红郭寅龙蔡延奔
人工神经网络用于FTMS准确质量的测定
2006年
FTMS中离子质量和测量频率之间的关系通常采用回归法实现经验公式的描述,由于离子频率的测定受许多因素影响,离子质量和测定频率之间的准确关系很难以一种公式来描述。采用无隐含层的BP网络建立了测定频率和质荷比的数学关系,提高了离子质量预测的准确度,并成功地在内标法和外标法准确质量测定中应用,对阿奇霉素的降解产物质量测定的相对误差均小于2×10-6。
苏越王昊阳郭寅龙相秉仁安登魁
关键词:FTMS人工神经网络
GC/MS中保留指数和保留温度回归分析应用于单萜烯结构确认被引量:15
2008年
GC/MS定性分析中,由于同分异构体的质谱图相似,常常出现结构鉴定错误.同分异构体化合物的保留行为具有较大地差别,采用文献保留指数和保留温度测定值回归分析方法对2篇已发表论文进行了研究,发现了对单萜烯类同分异构体结构鉴定中存在的错误,并提出可能的正确结构.文献保留指数和保留温度测定值回归分析方法可以简化GC/MS色谱峰的定性分析过程,提高定性分析的准确性,在样品定性分析中具很强的使用价值.
苏越姬厚伟苏式兵郭寅龙
关键词:GC/MS
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