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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

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    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

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

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KBr disc

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nujol mull

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