ALPHA,BETA-GLUCOOCTANOIC GAMMA-LACTONE

Mass

MS-IW-0782          
D-erythro-L-talo-octono-1,4-lactone
C8H14O8             (Mass of molecular ion:    238)

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

      15.0       2.6
      17.0       1.5
      18.0       9.0
      19.0       3.9
      27.0       2.0
      28.0       2.6
      29.0       5.1
      30.0       1.2
      31.0       6.4
      39.0       1.1
      41.0       2.2
      42.0       2.9
      43.0      12.9
      44.0       8.2
      45.0       6.7
      55.0       3.0
      56.0       6.7
      57.0       7.4
      58.0       1.7
      59.0       1.3
      60.0       9.6
      61.0      24.0
      62.0       1.2
      69.0       4.3
      70.0       1.2
      71.0      10.8
      72.0       2.5
      73.0     100.0
      74.0      21.2
      75.0       1.8
      76.0       6.8
      83.0       1.7
      84.0       1.0
      85.0      15.2
      86.0       3.7
      88.0       1.1
      89.0       2.3
      91.0       2.0
      96.0       1.0
      97.0       5.6
      98.0       1.4
      99.0       1.0
     100.0       2.1
     101.0       2.7
     103.0      11.0
     113.0       2.5
     114.0       1.8
     115.0       1.3
     119.0       1.1
     125.0       1.3
     131.0       7.9
     142.0       1.7
     143.0       4.1
     147.0       1.7
     159.0       6.9
     160.0       4.6
     161.0       1.6
     177.0       5.7
     189.0       1.1

Assign. Shift(ppm) A 5.74 B 5.34 C 4.98 D *1 4.61 E *1 4.61 F 4.42 G 4.42 J 4.42 K 4.140 L 3.745 M *2 3.575 N 3.456 P *2 3.40 Q 3.37 ASSIGNED BY H-H AND C-H COSY, AND ADDITION OF D2O. J(A,F)=7.7HZ J(B,K)=3.9HZ J(C,L)=6.0HZ J(D,Q)=5.6HZ J(E,N)=5.6HZ J(G,M)=5.6HZ J(G,P)=5.4HZ J(J,K)=5.2HZ J(J,L)=4.3HZ J(L,O)=4.3HZ J(M,N)=3.5HZ J(M,P)=-10.9HZ J(N,P)=5.6HZ J(N,Q)=7.3HZ

     Hz     ppm     Int.

   2298.58   5.752    864
   2290.89   5.733    910
   2134.28   5.341    838
   2130.37   5.331    834
   1991.82   4.984    660
   1985.84   4.969    676
   1846.68   4.621    773
   1844.97   4.617    845
   1840.09   4.605    991
   1839.36   4.603   1000
   1774.41   4.440    523
   1768.43   4.425    870
   1766.72   4.421    547
   1765.63   4.418    589
   1761.35   4.408    923
   1659.42   4.153    264
   1655.03   4.142    313
   1654.17   4.140    295
   1649.78   4.129    253
   1504.03   3.764    148
   1499.76   3.753    279
   1498.05   3.749    193
   1495.36   3.742    197
   1493.77   3.738    285
   1489.38   3.727    159
   1439.58   3.603    115
   1436.04   3.594    140
   1433.96   3.589    127
   1430.30   3.579    172
   1428.96   3.576    186
   1425.29   3.567    167
   1423.22   3.562    164
   1419.56   3.553    168
   1393.55   3.487     58
   1389.65   3.478     59
   1387.94   3.473    136
   1386.47   3.470    108
   1384.28   3.464    123
   1382.45   3.460    152
   1380.74   3.455    193
   1378.54   3.450    123
   1377.20   3.447    167
   1375.12   3.441    137
   1371.58   3.432    123
   1369.14   3.426     33
   1366.21   3.419    208
   1360.72   3.405    290
   1357.18   3.396    249
   1355.35   3.392    767
   1352.66   3.385    232
   1350.10   3.379    455
   1345.95   3.368    277
   1344.48   3.365    208
   1338.87   3.351    121