偶电子离子裂解规律讲解.ppt

专业质谱培训机构 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 CID m/z 609 m/z 577 m/z 397 m/z 365 - CH3OH re - CH3OH re ESI 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 Full MS (FT-ICR) [M+H]+ C10H12N2O2 measured: m/z 193.09740 calculated: m/z 193.09714 Delta 0.26 mmu / 1.3 ppm + N N H O CH 3 - Nicotine-1-N-oxide [M+H]+ C10H14N2O1 measured: m/z 179.11801 calculated: m/z 179.11788 Delta 0.13 mmu / 0.7 ppm 3 possible isomers different CID spectra N N H CH 3 O 1 2 3 4 5 Cotinine [M+H]+ C10H12N2O1 measured: m/z 177.10248 calculated: m/z 177.10223 Delta 0.25 mmu / 1.4 ppm Nornicotine N N H H [M+H]+ C9H12N2 measured: m/z 149.10753 calculated: m/z 149.10732 Delta 0.2mmu / 1.4ppm 130 135 140 145 150 155 160 165 170 175 180 185 190 195 200 205 m/z 179.11801 193.09740 177.10248 180.12151 149.10753 0 5 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 85 90 95 100 Relative Abundance ESI MS/MS of m/z 193.1 C10H12N2O2 5-Hydroxycotinine 162.05499 175.08653 Calculated: 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 ? 134.05917 149.07008 175.08553 C10H12N2O2 3-Hydroxycotinine ESI 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+ 223.0823 2级MS 3级MS 4级MS 4级MS 139.0503 166.0611 206.0571 139.0510 149.0354 122.0230 85.0388 121.0409 93.0454 [C9H11N4O3]+ 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MS [C9H8N3O3]+ 206.0561 i [M+H] +- 17 [C9H11N4O3]+ 223.0826 223.0823 1.3ppm 206.0571 4.8ppm 测量值 2 级MS [C9H11N4O3]+ 223.0826 re [C7H8N3O2]+ 166.0611 [M+H]+- 57 i i 166.0611 [C7H8N3O2]+ 166.0611 i rH, i rH, i, [-HCN] [C6H7N2O2]+ 139.0502 139.0510, 5.8ppm 3 级MS [C6H7N2O2]+ 139.0502 i, [- NH3] [C6