4-OXO-4-PYREN-1-YL-BUTYRIC ACID

Mass

MS-NW-9224          
gamma-oxo-1-pyrenebutyric acid
C20H14O3            (Mass of molecular ion:    302)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       2.4
      18.0      13.1
      28.0       1.8
      44.0       1.4
      45.0       1.2
      55.0       1.0
      87.0       2.3
      99.0       1.7
      99.5       1.8
     100.0      15.2
     100.5      18.2
     101.0       4.2
     113.0       2.2
     114.0       1.4
     114.5       5.9
     115.0       1.1
     118.5       1.0
     119.0       1.2
     119.5       1.5
     128.0       1.4
     150.0       1.2
     151.0       2.0
     174.0       1.8
     175.0       1.4
     198.0       2.2
     199.0       3.5
     200.0      22.0
     201.0      60.1
     202.0      13.1
     203.0       1.5
     226.0       1.9
     227.0       1.8
     228.0       1.9
     229.0     100.0
     230.0      18.7
     231.0       2.1
     235.0       1.5
     237.0       1.0
     239.0       4.0
     240.0       2.1
     255.0       1.4
     256.0       3.4
     284.0       5.7
     285.0       1.7
     302.0      37.3
     303.0       8.2
     304.0       1.1

Assign. Shift(ppm) A 12. B 8.809 C 8.570 D 8.39 E 8.37 F 8.36 G 8.32 J 8.31 K 8.233 L 8.149 M 3.52 N 2.824 ASSIGNED BY H-H AND C-H COSY. THE SIGNAL M INCLUDES H2O.

     Hz     ppm     Int.

   3525.63   8.822    390
   3521.24   8.811    204
   3516.36   8.799    404
   3429.44   8.582    398
   3421.63   8.562    433
   3355.47   8.397    612
   3348.39   8.379   1000
   3346.68   8.375    990
   3338.87   8.355    619
   3328.61   8.329    602
   3323.49   8.317    562
   3319.34   8.306    627
   3315.19   8.296    629
   3305.66   8.272    146
   3304.93   8.270    142
   3304.20   8.268    142
   3303.71   8.267    142
   3303.22   8.266    142
   3293.95   8.243    520
   3284.91   8.220    325
   3263.92   8.167    298
   3256.35   8.149    409
   3249.02   8.130    211
   1408.45   3.525    946
   1128.66   2.825    725