偶电子离子裂解规律

1、偶电子离子裂解规律ESI 源内 CID (瘦肉精) ESI In-source CID (clenbuterol) ESI 源内 CID ESI In-source CIDm/z 609 m/z 577m/z 397 m/z 365 - CH3OHre- CH3OHreESI 源内 CID ESI In-source CID三聚氰胺 (MS/MS)DAPCI 分析乳制品中的三聚氰胺 (MS/MS) 定量离子尼古丁 (MS/MS)尼古丁C10H14N2 162.1尼古丁咖啡因咖啡因咖啡因 (MS/MS)水杨酸甲酯 (MS/MS)Atrazine (MS/MS)MS / MS尼古丁的代谢产物Ful

2、l MS (FT-ICR)M+H+C10H12N2O2measured: m/z 193.09740calculated: m/z 193.09714Delta 0.26 mmu / 1.3 ppm+NNHOCH3-Nicotine-1-N-oxide M+H+C10H14N2O1measured: m/z 179.11801calculated: m/z 179.11788Delta 0.13 mmu / 0.7 ppm3 possible isomersdifferent CID spectraNNHCH3O12345CotinineM+H+C10H12N2O1measured: m/z

3、177.10248calculated: m/z 177.10223Delta 0.25 mmu / 1.4 ppmNornicotine NNHHM+H+C9H12N2measured: m/z 149.10753calculated: m/z 149.10732Delta 0.2mmu / 1.4ppm130135140145150155160165170175180185190195200205m/z179.11801193.09740177.10248180.12151149.1075305101520253035404550556065707580859095100Relative

4、AbundanceESI MS/MS of m/z 193.1C10H12N2O25-Hydroxycotinine162.05499175.08653Calculated: 175.0871尼古丁的代谢产物高能碎裂，由偶电子离子产生奇电子离子(改变羟基位置，即不出现 m/z 162 离子) ( 见下图 ) - CH3O 134.05917149.07008175.08553C10H12N2O23-HydroxycotinineESI MS/MS of m/z 193.1尼古丁的代谢产物产生 m/z 134 的反应历程质子转移到羰基?来自某国际机构的考核样品主成分为：少量杂质：MH+ 223.

5、08232级MS3级MS4级MS4级MS139.0503166.0611206.0571139.0510149.0354122.023085.0388121.040993.0454C9H11N4O3+223.0826 (1.3ppm)杂质 C9H10N4O3 222.07529 (1.3 ppm)主成分Caffeine C8H10N4O2 194.08038(1)(2)(3)(4)(5)2 级MSC9H8N3O3+206.0561iM+H +- 17C9H11N4O3+223.0826223.08231.3ppm206.05714.8ppm测量值2 级MSC9H11N4O3+223.0826r

6、eC7H8N3O2+166.0611M+H+- 57ii166.0611C7H8N3O2+166.0611irH, irH, i, -HCNC6H7N2O2+139.0502139.0510, 5.8ppm3 级MSC6H7N2O2+139.0502i, - NH3 C6H4NO2+122.0237C3H5N2O+85.0396质子转移i122.0230, 5.7ppm85.0388, 9.4ppm4 级MSC7H8N3O2+166.0611质子转移i, - NH3 C7H5N2O2+149.0346149.0354, 5.4ppm3 级MSC6H5N2O+121.0396- COC5H5N2+93.044793.0454, 7.5ppmC6H5N2O+121.0396iC7H5N2O2+149.0346121.0409, 10,7ppm4 级MS质 子 化 多 肽 的 裂 解质 子 化 多 肽 的 裂 解146Electron Capture Dissociation (ECD)电子捕获解离Electron Transfer Dissociation (ETD)电