2782-07-2

半乳糖酸內酯(2782-07-2)质谱(MS)

产品名称:半乳糖酸內酯

CAS:2782-07-2

分子式:C6H10O6

分子量: 178.14

InChI:InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/s3

InChIKey: SXZYCXMUPBBULW-IWTJONABNA-N

Smiles:[C@@H]1([C@H](O)CO)OC(=O)[C@H](O)[C@H]1O |&1:0,1,8,10,r|

Mass

MS-NW-2265          
D-galactono-gamma-lactone
C6H10O6             (Mass of molecular ion:    178)

   Source Temperature: 210 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      14.0       2.7
      15.0      19.2
      17.0       3.4
      18.0      15.9
      19.0      20.1
      26.0       4.0
      27.0      13.5
      28.0      10.4
      29.0      33.0
      30.0      10.9
      31.0      37.3
      32.0       2.2
      38.0       1.5
      39.0       7.2
      40.0       1.7
      41.0       6.5
      42.0      16.7
      43.0      51.2
      44.0      39.0
      45.0      16.6
      47.0       2.3
      53.0       1.2
      54.0       2.9
      55.0      12.8
      56.0       5.8
      57.0      16.5
      58.0      11.4
      59.0       2.8
      60.0      38.0
      61.0      90.0
      62.0       3.3
      68.0       1.5
      69.0       6.6
      70.0       3.9
      71.0      22.4
      72.0      10.9
      73.0     100.0
      74.0       6.4
      75.0       1.2
      76.0       6.9
      83.0       3.8
      84.0       4.2
      85.0      20.1
      86.0       4.7
      87.0       2.4
      89.0       6.4
      90.0       1.9
      91.0       5.5
      97.0       1.3
      98.0       1.3
     100.0      11.4
     101.0       3.2
     103.0       7.1
     112.0       2.8
     114.0       2.5
     118.0       8.0
     119.0       7.8
     142.0       1.7
     147.0       5.2
     160.0       2.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₀ O₆	0.041 g : 0.5 ml DMSO-d₆
D-galactono-gamma-lactone

    Assign.     Shift(ppm)

      A             6.07
      B             5.79
      C             5.05
      D             4.79
      E             4.249
      F             4.125
      G             4.093
      J             3.602
      K             3.42
     
     ASSIGNED BY C-H AND H-H COSY.
     THE H2O SIGNAL AT 3.45 PPM REMOVE.

     Hz     ppm     Int.

   2428.34   6.077   1000
   2421.63   6.060    991
   2317.63   5.800    689
   2312.01   5.786    699
   2019.53   5.054    723
   2013.31   5.038    737
   1921.88   4.809    313
   1916.75   4.797    411
   1915.77   4.794    501
   1910.64   4.781    325
   1706.79   4.271    270
   1700.07   4.254    298
   1698.12   4.250    398
   1691.53   4.233    380
   1661.62   4.158    149
   1656.01   4.144    145
   1653.32   4.137    337
   1647.71   4.123    335
   1644.90   4.116    264
   1639.53   4.103    460
   1638.67   4.101    506
   1636.96   4.096    497
   1630.37   4.080    154
   1628.78   4.076    175
   1450.93   3.631     73
   1449.34   3.627     71
   1444.70   3.615    164
   1443.12   3.611    239
   1441.53   3.607    133
   1436.89   3.596    265
   1435.30   3.592    197
   1430.66   3.580    100
   1429.08   3.576    101
   1387.21   3.472    117
   1379.03   3.451    584
   1376.59   3.445    325
   1371.46   3.432    294
   1365.11   3.416    360
   1358.64   3.400    247
   1357.18   3.396    228
   1354.37   3.389    130
   1350.83   3.381    198
   1348.14   3.374    125
   1346.56   3.370    102
   1340.33   3.354     88
   1011.84   2.532     38
   1008.42   2.524    279
   1006.59   2.519    583
   1004.76   2.515    774
   1002.93   2.510    560
   1001.22   2.506    255

in DMSO-d6