488-43-7

D-萄糖胺(488-43-7)质谱(MS)

产品名称:D-萄糖胺

CAS:488-43-7

分子式:C6H15NO5

分子量: 181.19

InChI:InChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6+/m0/s1

InChIKey: SDOFMBGMRVAJNF-SLPGGIOYSA-N

Smiles:C(N)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

Mass

MS-NW-6925          
1-amino-1-deoxy-D-glucitol
C6H15NO5            (Mass of molecular ion:    181)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0      11.1
      18.0      10.2
      19.0       6.1
      26.0       1.0
      27.0       5.9
      28.0       7.5
      29.0       9.6
      30.0     100.0
      31.0      15.5
      32.0       1.9
      39.0       1.8
      41.0       3.8
      42.0      10.6
      43.0      16.7
      44.0       8.0
      45.0       7.6
      48.0       1.6
      55.0       3.0
      56.0       3.2
      57.0       5.2
      59.0       1.7
      60.0      22.3
      61.0       8.0
      69.0       1.7
      71.0       2.6
      72.0       4.2
      73.0      27.3
      74.0       2.0
      85.0       1.3
      86.0       1.1
      90.0       5.9
      91.0       1.7
     102.0       7.9
     103.0       2.0
     116.0       1.7
     120.0       3.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₅ N O₅	0.039 g : 0.5 ml DMSO-d₆
1-amino-1-deoxy-D-glucitol

    Assign.     Shift(ppm)

      A             3.64
      B     *1      3.59
      C             3.53
      D             3.50
      E             3.427
      F     *1      3.409
      G     *2      2.685
      J     *2      2.604

     Hz     ppm     Int.

   1457.40   3.647    886
   1455.69   3.643    934
   1452.64   3.635   1000
   1450.93   3.631    972
   1443.24   3.612    727
   1439.45   3.602    676
   1432.50   3.585    587
   1428.83   3.576    610
   1415.77   3.543    288
   1410.64   3.530    481
   1405.27   3.517    543
   1403.56   3.512    392
   1401.37   3.507    421
   1397.83   3.498    311
   1395.75   3.493    371
   1391.97   3.483    318
   1374.02   3.439    520
   1372.19   3.434    513
   1368.29   3.424    550
   1366.33   3.419    422
   1364.50   3.415    401
   1362.55   3.410    414
   1357.54   3.397    382
   1351.81   3.383    292
   1083.50   2.712    109
   1079.10   2.701    118
   1071.04   2.680    216
   1066.53   2.669    209
   1047.97   2.623    233
   1042.36   2.609    234
   1035.28   2.591    139
   1029.66   2.577    125

in D2O

in DMSO-d6