| 李晋成,刘欢,张静,吴立冬,许玉燕,马兵,宋怿.3-氨基苯甲酸乙酯的电喷雾正离子质谱裂解规律[J].食品安全质量检测学报,2014,5(11):3615-3619 |
| 3-氨基苯甲酸乙酯的电喷雾正离子质谱裂解规律 |
| The cleavage pathways of 3-aminobenzoic acid ethyl ester by positive elec-trospray ionization mass spectrometry |
| 投稿时间：2014-09-04 修订日期：2014-11-05 |
| DOI： |
| 中文关键词: 3-氨基苯甲酸乙酯 电喷雾电离 裂解规律 |
| 英文关键词:3-aminobenzoic acid ethyl ester electrospray ionization cleavage pathways |
| 基金项目:中国水产科学研究院院部中央级公益性科研院所基本科研业务费专项资金项目(2013C005) |
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| 中文摘要: |
| 目的 采用电喷雾电离串联质谱(ESI-MS/MS), 对3-氨基苯甲酸乙酯在正离子模式下的裂解途径进行分析研究。方法 通过ESI电离产生准分子离子[M+H] , 并对[M H] 进行碰撞诱导解离(CID)获得3-氨基苯甲酸乙酯的二级质谱图。结果 在CID模式下, 3-氨基苯甲酸乙酯主要产生m/z 138、m/z 94和m/z 77 三个碎片离子。通过解析3-氨基苯甲酸乙酯二级质谱图得到其裂解途径信息: 3-氨基苯甲酸乙酯首先断裂苯环C1位支链上的乙氧基丢失一个乙烯生成特征碎片离子m/z 138, 然后断裂苯环C1位支链上酯基丢失一个CO2生成特征碎片离子m/z 94, 继续断裂C3位上C-N键丢失一个NH3并生成特征碎片离子m/z 77。结论 本研究所提出的3-氨基苯甲酸乙酯的电喷雾质谱裂解规律, 为其在水产品体内代谢物质的鉴别提供参考依据。 |
| 英文摘要: |
| Objective To study the cleavage pathways of 3-aminobenzoic acid ethyl ester by electrospray ionization mass spectrometry (ESI-MS/MS) in the positive mode. Methods The quasi-molecular ion [M+H] of 3-aminobenzoic acid ethyl ester was obtained by ESI, and the MS2 spectrum of quasi-molecular ion [M H] ion were obtained from collision-induced dissociation (CID). Results There were three main fragment ions of quasi-molecular ion [M H] with CID that were m/z 138, m/z 94, m/z 77. The cleavage pathways information of [M H] ion were obtained by analyzing the MS2 spectrum of [M H] ion. It was found that quasi-molecular ion [M H] mainly fractured through ethoxyl group at the C1 of benzene ring, and lost CH2=CH2 with generated fragment ion m/z 138. A part of fragment ion m/z 138 continuously lost CO2 at the C1 of benzene ring with generated fragment ion m/z 94. Then a part of fragment ion m/z 94 lost NH3 at the C3 of benzene ring with generated characteristic fragment ion m/z 77. Conclusion These cleavage rules presented here can provide a technical support for metabolites’ identification of 3-aminobenzoic acid ethyl ester in aquatic products. |
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