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文献总结：有机胺的质谱图特征

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总结 Angelino-2001-EST 和 Silva-2000-AC 两篇文献中有机胺质谱图特征。

Trimethylamine, TMA

  1. Name: Trimethylamine, TMA
  2. CAS: 75-50-3
  3. Chemical/Structural formula: C3H9N, (CH3)3N
  4. molecular weight: 59.11
  5. Standard Amines: TMA
    • [M]+ : 59[(CH3)3N]+
  6. Standard Alky Ammonium Salts: TMANO3
    • [M]+ : 59[(CH3)3N]+
  7. Reacted TMA Pos:
    • [M]+ : 59[(CH3)3N]+
    • [M-H]+ : 58[(CH3)2N(CH2)]+
    • [MH]+ : 60[(CH3)3NH]+
    • [TMAOH]+ : 76[(CH3)3NOH]+
    • Fragments:
      • 42[C2H4N]+
      • dimethylnitramine: 91[(CH3)2NHNO2]+
  8. Reacted TMA Neg:
    • Nitrate: -42[CNO]-, -46[NO2]-, -62[NO3]-, -125[H(NO3)2]-
    • Sulfate: -80[SO3]-, -97[HSO4]-
    • Fragments:
      • dimethylnitramine: -90[(CH3)2NNO2]-
      • dimethylnitrosamine: -74[(CH3)2NNO]-
      • -72[(CH3)2NCO]-

Triethylamine, TEA

  1. Name: Triethylamine, TEA
  2. CAS: 121-44-8
  3. Chemical/Structural formula: C6H15N, (C2H5)3N
  4. molecular weight: 101.19
  5. Standard Amines: TEA
    • [M]+ : 101[(C2H5)3N]+
    • [MH]+ : 102[(C2H5)3NH]+
    • [M-CH3]+: 86[(C2H5)2N=CH2]+
  6. Standard Alky Ammonium Salts: TEANO3
    • [M]+ : 101[(C2H5)3N]+
    • [MH]+ : 102[(C2H5)3NH]+
    • [M-CH3]+: 86[(C2H5)2N=CH2]+
  7. Reacted TEA Pos:
    • [M]+ : 101[(C2H5)3N]+
    • [M-H]+ : 100[(C2H5)2N(C2H4)]+
    • [MH]+ : 102[(C2H5)3NH]+
    • [M-CH3]+: 86[(C2H5)2N=CH2]+
    • [TEAOH]+: 118[(C2H5)3NOH]+
  8. Reacted TEA Neg:
    • Nitrate: -42[CNO]-, -46[NO2]-, -62[NO3]-, -125[H(NO3)2]-
    • Sulfate: -80[SO3]-, -97[HSO4]-
    • Fragments: -88[(C2H5)2NO]-

Tripropylamine, TPA

  1. Name: Tripropylamine, TPA
  2. CAS: 102-69-2
  3. Chemical/Structural formula: C9H21N, (C3H7)3N
  4. molecular weight: 143
  5. Standard Amines: TPA
    • [M]+ : 143[(C3H7)3N]+
    • [M-C2H5]+: 114[(C3H7)2N=CH2]+
  6. Standard Alky Ammonium Salts: TPANO3
    • [M]+ : 143[(C3H7)3N]+
    • [M-C2H5]+: 114[(C3H7)2N=CH2]+
  7. Reacted TPA Pos:
    • [M]+ : 143[(C3H7)3N]+
    • [MH]+ : 144[(C3H7)3NH]+
    • [M-CH3]+: 128[(C3H7)2N(C2H4)]+
    • [M-C2H5]+: 114[(C3H7)2N=CH2]+
    • [M-C3H7]+: 100[(C3H7)2N]+
    • [TPAOH]+: 160[(C3H7)3NOH]+
    • Fragments: 72[C4H9NH]+,
  8. Reacted TPA Neg:
    • Nitrate: -42[CNO]-, -46[NO2]-, -62[NO3]-, -125[H(NO3)2]-
    • Sulfate: -80[SO3]-, -97[HSO4]-
    • Fragments:
      • -128[(C3H7)2NC2H4]-
      • -100[(C3H7)2N]-
      • -72[(C2H5)2N]-

Diethylamine, DEA

  1. Name: Diethylamine, DEA
  2. CAS: 109-89-7
  3. Chemical/Structural formula: C4H11N, (C2H5)2NH
  4. molecular weight: 73
  5. Standard Amines: DEA
    • [MH]+ : 74[(C2H5)2NH2]+
    • [M-CH3]+: 58[(C2H5)NH=CH2]+
    • [(M-1)+14]+ : 86[(C2H5)2N=CH2]+
  6. Standard Alky Ammonium Salts: DEANO3
    • [M-H]+ : 72[(C2H5)2N]+
    • [MH]+ : 74[(C2H5)2NH2]+
    • [M-CH3]+: 58[(C2H5)NH=CH2]+
    • smaller fragments: 30[(CH2)=NH2]+
  7. Reacted DEA Pos:
    • [M-H]+ : 72[(C2H5)2N]+
    • [MH]+ : 74[(C2H5)2NH2]+
    • [M-CH3]+: 58[(C2H5)NH=CH2]+
    • [(M-1)+14]+ : 86[(C2H5)2N=CH2]+
    • smaller fragments: 30[(CH2)=NH2]+
  8. Reacted DEA Neg:
    • Nitrate: 42[CNO]-, 46[NO2]-, 62[NO3]-, 125[H(NO3)2]-
    • Sulfate: 80[SO3]-, 97[HSO4]-
    • 88[(C2H5)2NO]-

Dipropylamine, DPA

  1. Name: Dipropylamine, DPA
  2. CAS: 142-84-7
  3. Chemical/Structural formula: C6H15N, (C3H7)2NH
  4. molecular weight: 101.19
  5. Standard Amines: DPA
    • [MH]+ : 102[(C3H7)2NH2]+
    • [M-CH3]+: 86[(C3H7)NH(CH2=CH2)]+
    • [M-C2H5]+: 72[(C3H7)NH=CH2]+
    • [(M-1)+14]+ : 114[(C3H7)2N=CH2]+
    • smaller fragments: 30[(CH2)=NH2]+
  6. Standard Alky Ammonium Salts: DPANO3
    • [M-H]+ : 100[(C3H7)2N]+
    • [MH]+ : 102[(C3H7)2NH2]+
    • [M-C2H5]+: 72[(C3H7)NH=CH2]+
    • smaller fragments: 30[(CH2)=NH2]+
  7. Reacted DPA Pos:
    • [M]+ : 101[(C3H7)2NH]+
    • [M-H]+ : 100[(C3H7)2N]+
    • [MH]+ : 102[(C3H7)2NH2]+
    • [M-CH3]+: 86[(C3H7)NH(C2H4)]+
    • [M-C2H5]+: 72[(C3H7)NH=CH2]+
    • [M-C3H7]+: 58[(C3H7)NH]+
    • smaller fragments: 30[(CH2)=NH2]+
  8. Reacted DPA Neg:
    • Nitrate: 42[CNO]-, 46[NO2]-, 62[NO3]-, 125[H(NO3)2]-
    • Sulfate: 80[SO3]-, -97[HSO4]-

Diethylethanolamine nitrate (二乙基乙醇胺硝酸盐)

  1. Figure 8 shows the positive and negative ion mass spectra of a quaternary ammonium salt, diethylethanolamine nitrate. These particles were generated by reaction of diethylethanolamine with nitric acid in the gas phase.
  2. The positive ion mass spectrum shows an ion due to the intact quaternary ammonium cation at m/z 118.
  3. A fragment at m/z 102 is probably due to loss of CH3• from the parent ion.
  4. An intense peak at m/z 86 (C5H12N+) results from the α cleavage of •CH2OH and is characteristic of quaternary ammonium compounds with ethyl substituents.
  5. Four major peaks are observed in the negative ion mass spectrum. Mass-to-charge 46, 62, and 125 are nitrate-related peaks, assigned to NO2-, NO3-, and HN2O6-, respectively.