2-THIO-6-AZAURIDINE

Mass

MS-IW-0783          
6-aza-2-thiouridine
C8H11N3O5S          (Mass of molecular ion:    261)

   Source Temperature: 140 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       2.6
      17.0       1.1
      18.0       6.2
      19.0       4.2
      27.0       4.1
      28.0      10.5
      29.0       8.2
      30.0       2.3
      31.0      10.9
      39.0       1.4
      40.0       1.1
      41.0       6.7
      42.0       6.7
      43.0      27.5
      44.0       4.2
      45.0      12.6
      46.0       1.8
      47.0       1.3
      54.0       1.3
      55.0       7.5
      56.0       3.4
      57.0      26.3
      58.0       4.8
      59.0       4.5
      60.0      12.2
      61.0       9.8
      68.0       2.8
      69.0      11.6
      70.0       2.9
      71.0      12.4
      72.0       2.2
      73.0      23.8
      74.0       5.8
      75.0       3.8
      83.0       3.7
      84.0       3.6
      85.0      28.5
      86.0       6.7
      87.0       2.4
      88.0       1.2
      96.0       1.1
      97.0       4.2
      98.0       1.6
      99.0       1.1
     100.0       1.3
     101.0       3.2
     102.0       1.5
     103.0       4.3
     104.0       1.0
     105.0       2.5
     109.0       1.6
     111.0       1.1
     113.0       2.8
     114.0      12.3
     115.0       3.0
     116.0       1.6
     127.0       1.3
     129.0      15.3
     130.0      43.7
     131.0       7.3
     132.0     100.0
     133.0      11.1
     134.0       1.8
     141.0       2.2
     142.0       2.6
     143.0       1.1
     146.0       2.0
     154.0       1.4
     157.0       1.2
     159.0       1.0
     160.0       5.7
     161.0       1.0
     169.0      77.6
     170.0       7.3
     171.0       7.5
     172.0       4.5
     173.0      21.3
     174.0       1.7
     175.0       1.0
     189.0       5.3
     190.0       1.5
     200.0       1.0
     216.0       1.4
     230.0       1.1
     243.0       3.8
     244.0       1.4
     262.0       1.1

Assign. Shift(ppm) A 13.37 B 7.860 C 6.799 C 6.799 D 5.33 E 5.06 F 4.66 G 4.19 J 4.03 K 3.823 L 3.554 M 3.410 assigned by H-H COSY and addition of D2O. J(A,B)=0.6 Hz J(C,G)=2.8 Hz J(D,G)=4.0 Hz J(E,J)=4.0 Hz J(J,K)=4.2 Hz J(L,M)=-11.7 Hz J(L,K)=2.9 Hz J(M,K)=5.3 Hz J(G,J)=4.2 Hz

     Hz     ppm     Int.

   5341.68  13.366    171
   3141.85   7.862   1000
   3141.31   7.861    966
   2718.92   6.804    403
   2716.18   6.797    403
   2133.34   5.339    118
   2129.49   5.329    121
   2024.72   5.067     96
   2024.17   5.065     96
   2023.44   5.064     95
   2022.89   5.062     95
   2021.06   5.058     98
   2020.69   5.057     98
   2020.33   5.056     98
   1861.34   4.658     90
   1672.13   4.184    153
   1610.77   4.031    120
   1610.22   4.030    120
   1607.84   4.024    124
   1535.85   3.843     88
   1532.00   3.834    122
   1529.99   3.829    182
   1525.96   3.819    182
   1523.95   3.814    115
   1519.92   3.804     87
   1428.88   3.576     76
   1428.52   3.575     76
   1427.42   3.572     75
   1425.95   3.568     76
   1416.98   3.546    114
   1415.14   3.541    108
   1370.82   3.431     88
   1368.80   3.425     84
   1365.69   3.418     94
   1361.84   3.408     78
   1359.83   3.403     81
   1359.46   3.402     81
   1356.71   3.395     72
   1356.16   3.394     71
   1354.88   3.391     73
   1354.52   3.390     73