《Instr Anal-02_MS》.ppt

Chapter 8. Mass Spectrometer The Mass Spectrum 8-1. Instrument 8-1-1. Ion Sources Ion Sources 1、Electron Impact (EI) Ion Source Characteristics of EI 2. Chemical Ionization (CI) Ion Source Chemical Ionization Reactions Comparison of EI and CI 3. Field Ionization FI，（场电离源） Features 8-1-2. Mass Analyzers Example 1. Single Focus 2. Double Focus 3. Time-of-Flight Analyzer 4. Quadrupole Analyzers （四极杆质量分析器） 8-1-3. Sample Introduction Direct MS Inlet for solid 2. GC-MS Inlets 3. LC-MS Inlets Direct inlet Moving-belt inlet Thermospray inlet Direct LC-MS Inlet Moving-Belt LC-MS Inlet Thermospray LC-MS Inlet 8-2. Applications of Molecular MS Fragment peaks give evidence for functional groups Halogenated Compounds Mass Spectrum of2-Bromoacetaldehye Diethyl Acetal 8-3. Summary of MS Sample vial inserted through air-lock into ionizer chamber Vial heated to vaporize sample Vial can be reduced to capillary or surface plate for small quantities Identification of Pure Compounds: Nominal M+ peak (one m/z resolution) (or (M+1)+ or (M-1)+ ) gives MW (not EI) Exact m/z (fractional m/z resolution) can give stoichiometry but not structure (double-focusing instrument) Fragment peaks give evidence for functional groups (M-15)+ peak T methyl (M-18)+ T OH or water (M-45)+ T CO2H series (M-14)+, (M-28)+, (M-42)+... T sequential CH2 loss in alkanes Isotopic peaks can indicate presence of certain atoms: Cl, Br, S, Si Isotopic ratios can suggest plausible molecules from M+, (M+1)+ and (M+2)+ peaks 13C/12C = 1.08 % 2H/1H = 0.015 % (M+1)+ peak for ethane C2H6 should be (2?1.08)+(6?0.015) = 2.25% M+ peak Comparison with library spectra Mass Spectrum of 2-Methylheptane (M=114) CH3CH(CH2)4CH3 CH3 There are two common isotopes of bromine: 79Br (50.53%)  81Br (49.48%) There are two common isotopes of chlorine: 35Cl (75.53%) and  37Cl (24.47%) Monohalogenated species give diagnostic mass doublets * * * * * Prof. Qingyun Cai Phone:E-mail: qycai0001@h