528-90-5

2,4,5-三甲基苯甲酸(528-90-5)质谱(MS)

产品名称:2,4,5-三甲基苯甲酸

CAS:528-90-5

分子式:C10H12O2

分子量: 164.2

InChI:InChI=1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)

InChIKey: QENJZWZWAWWESF-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC(C)=C(C)C=C1C

IR1

IR2

Mass

MS2014-05043CW      
2,4,5-trimethylbenzoic acid
C10H12O2            (Mass of molecular ion:    164)

   Source Temperature: 240 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      18.0       4.1
      27.0       7.2
      29.0       1.1
      38.0       1.9
      39.0      17.9
      40.0       2.2
      41.0      12.3
      43.0       2.9
      45.0       2.3
      50.0       6.7
      51.0      19.1
      51.5       1.5
      52.0       5.9
      53.0       7.7
      55.0       1.1
      57.0       1.7
      57.5       4.3
      58.0       5.4
      59.0       2.6
      62.0       3.5
      63.0      10.8
      64.0       2.4
      65.0      14.9
      65.5       2.6
      66.0       2.9
      67.0       1.7
      72.5       1.3
      73.0       5.2
      74.0       3.8
      74.5       1.4
      75.0       4.0
      76.0       2.9
      77.0      31.1
      78.0      10.7
      79.0      10.0
      82.0       2.1
      86.0       1.1
      87.0       1.6
      89.0       5.1
      90.0       1.8
      91.0      51.7
      92.0       5.8
      93.0       5.5
     101.0       1.0
     102.0       5.0
     103.0      19.9
     104.0       8.5
     105.0      31.3
     106.0       2.9
     107.0       1.5
     115.0      21.2
     116.0       5.3
     117.0      28.5
     118.0      97.4
     119.0      99.0
     120.0      12.3
     121.0       5.3
     131.0       4.4
     135.0       1.1
     145.0       4.5
     146.0      99.5
     147.0      38.3
     148.0       3.8
     149.0      21.4
     150.0       2.2
     163.0       5.1
     164.0     100.0
     165.0      13.7
     166.0       1.2

KBr disc