3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID

Mass

MS-KW-0239          
3-(2-benzothiazolylthio)propionic acid
C10H9NO2S2          (Mass of molecular ion:    239)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.3
      25.0       1.0
      26.0       5.7
      27.0      13.4
      28.0       3.1
      37.0       1.3
      38.0       2.2
      39.0       4.0
      43.0       1.0
      44.0       2.6
      45.0      10.6
      50.0       2.2
      51.0       2.1
      52.0       1.7
      53.0       1.0
      55.0      12.0
      58.0       3.0
      59.0       1.3
      61.0       1.0
      61.5       1.5
      62.0       2.0
      63.0       7.1
      64.0       6.6
      65.0       4.0
      69.0      11.3
      70.0       2.8
      71.0       1.9
      72.0      18.0
      73.0       1.0
      74.0       1.2
      75.0       1.5
      76.0       2.0
      77.0       1.1
      78.0       1.1
      81.0       1.5
      82.0       4.6
      83.0       1.0
      83.5       8.4
      84.0       2.1
      90.0       1.7
      91.0       9.6
      95.0       1.9
      96.0       8.3
     102.0       2.2
     103.0       4.9
     107.0       1.1
     108.0      14.0
     109.0      13.3
     110.0       1.6
     122.0       5.0
     123.0       9.2
     124.0       1.0
     133.0       1.1
     134.0       1.3
     135.0       5.3
     136.0       2.8
     139.0       1.0
     140.0       6.1
     141.0       1.0
     160.0       1.2
     166.0       5.8
     167.0     100.0
     168.0      10.8
     169.0       9.4
     180.0       1.6
     193.0       4.4
     194.0      11.1
     195.0       1.7
     196.0       1.0
     239.0       6.2

Assign. Shift(ppm) A 12.5 B 8.016 C 7.889 D 7.483 E 7.382 F 3.551 G 2.848

     Hz     ppm     Int.

   5020.38  12.558     19
   3209.11   8.028    329
   3208.56   8.026    346
   3208.01   8.025    343
   3201.24   8.008    362
   3200.69   8.007    358
   3200.14   8.005    349
   3159.10   7.903    361
   3158.56   7.901    350
   3151.41   7.883    364
   3151.05   7.882    393
   3150.50   7.881    360
   2999.92   7.504    181
   2999.01   7.502    189
   2992.60   7.486    294
   2991.86   7.484    359
   2984.54   7.466    229
   2983.62   7.464    220
   2958.34   7.400    251
   2957.43   7.398    257
   2950.28   7.380    370
   2943.14   7.362    170
   2942.22   7.360    163
   1426.42   3.568    457
   1419.64   3.552   1000
   1412.86   3.535    480
   1145.06   2.865    496
   1138.28   2.848    999
   1131.32   2.830    436