N-6-(DELTA-2-ISOPENTENYL)ADENOSINE HEMIHYDRATE, 99+%(33156-15-9) IR1

Mass

MS-IW-1213          
N(6)-(3-methyl-2-butenyl)adenosine
C15H21N5O4 1/2H2O   (Mass of molecular ion:    335)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       5.6
      19.0       1.3
      27.0       2.7
      28.0       5.6
      29.0       3.4
      30.0       2.3
      31.0       2.8
      39.0       2.6
      40.0       1.2
      41.0      13.8
      42.0       1.9
      43.0       4.3
      44.0       1.3
      45.0       2.4
      53.0       2.5
      54.0       1.8
      55.0       3.0
      56.0       1.6
      57.0       4.6
      60.0       1.3
      61.0       1.9
      65.0       1.4
      66.0       2.1
      67.0       4.0
      68.0       2.1
      69.0       5.2
      70.0       2.2
      71.0       1.6
      73.0       3.6
      80.0       1.1
      81.0       1.9
      82.0       1.3
      84.0       5.8
      85.0       1.4
      92.0       2.2
      93.0       3.3
      94.0       2.4
     106.0       1.1
     108.0      13.3
     109.0       1.9
     119.0       9.6
     120.0       4.5
     121.0       2.8
     133.0       1.6
     134.0       2.7
     135.0      55.1
     136.0      26.8
     137.0       1.9
     146.0       1.4
     148.0      13.0
     149.0       2.4
     159.0       3.3
     160.0     100.0
     161.0      14.4
     162.0       2.7
     164.0      16.2
     165.0       1.4
     171.0       2.0
     173.0       3.4
     174.0       3.6
     175.0       5.5
     176.0       3.3
     177.0       1.2
     178.0       9.7
     179.0       1.0
     185.0       6.8
     186.0       3.5
     187.0       3.2
     188.0      62.0
     189.0       7.6
     190.0       1.3
     199.0       2.5
     200.0       1.7
     201.0       1.5
     202.0      26.3
     203.0      76.8
     204.0      17.5
     205.0       1.6
     230.0       1.6
     232.0      23.2
     233.0       3.2
     246.0      16.7
     247.0       2.6
     267.0       3.4
     288.0       1.2
     292.0      27.9
     293.0       4.3
     304.0       1.6
     305.0       1.6
     320.0       7.8
     321.0       1.3
     335.0      44.9
     336.0      11.0
     337.0       1.6

Assign. Shift(ppm) A 8.356 B 8.23 C 7.92 D 5.903 E 5.46 F 5.315 G 5.20 J 4.623 K 4.17 L 4.09 M 3.988 N *1 3.692 P *1 3.571 Q *2 1.705 R *2 1.673 ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   3343.02   8.365     49
   3339.60   8.357    479
   3287.48   8.226     93
   3163.94   7.917     45
   2362.30   5.911    261
   2356.20   5.896    271
   2186.16   5.471    143
   2184.33   5.466    147
   2180.30   5.456    208
   2172.73   5.437     87
   2131.10   5.333     59
   2130.00   5.330     56
   2129.76   5.330     56
   2125.73   5.319     98
   2124.39   5.316    117
   2123.29   5.313    100
   2119.02   5.303     60
   2117.92   5.300     64
   2084.23   5.216    127
   2079.96   5.205    126
   1852.05   4.635    109
   1846.68   4.621    110
   1671.75   4.184     65
   1667.85   4.174    124
   1664.79   4.166    124
   1661.13   4.157     69
   1660.64   4.156     70
   1632.08   4.084     72
   1598.75   4.001     74
   1595.46   3.993    196
   1592.29   3.985    192
   1588.99   3.976     75
   1482.79   3.711     71
   1474.49   3.690     72
   1470.83   3.681    108
   1467.04   3.671     62
   1439.33   3.602     59
   1435.91   3.593     68
   1432.13   3.584     69
   1428.34   3.574     77
    681.52   1.706   1000
    668.95   1.674    852
    668.21   1.672    848