608-66-2

半乳糖醇(608-66-2)質(zhì)譜(MS)

產(chǎn)品名稱:半乳糖醇

CAS:608-66-2

分子式:C6H14O6

分子量: 182.17

InChI:InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-

InChIKey: FBPFZTCFMRRESA-GUCUJZIJSA-N

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

Mass

MS-NW-1196          
galactitol
C6H14O6             (Mass of molecular ion:    182)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      14.0       1.0
      15.0      12.9
      17.0       1.0
      18.0       4.9
      19.0      14.5
      26.0       1.1
      27.0       7.5
      28.0       7.2
      29.0      13.6
      30.0       2.5
      31.0      26.2
      32.0       1.1
      39.0       2.4
      41.0       5.9
      42.0       7.0
      43.0      34.5
      44.0      20.2
      45.0      23.4
      46.0       1.4
      47.0       1.6
      55.0       8.5
      56.0      26.0
      57.0      19.6
      58.0       1.4
      59.0       1.5
      60.0      13.1
      61.0      58.8
      62.0       2.2
      69.0       4.1
      71.0      10.4
      72.0       1.7
      73.0     100.0
      74.0      45.2
      75.0       3.1
      85.0       7.9
      86.0       1.3
      87.0       1.2
      91.0       8.9
      97.0       1.7
     103.0      21.4
     104.0       1.9
     115.0       2.9
     133.0      14.1

400 MHz in D2O

¹H NMR	399.65 MHz
C₆ H₁₄ O₆	0.038 g : 0.5 ml D₂O
galactitol

    Assign.     Shift(ppm)

      A             3.978
      B             3.700
      C             3.684
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   1596.80   3.996    168
   1593.63   3.988     36
   1590.45   3.980    327
   1583.98   3.964    206
   1486.82   3.721     41
   1481.57   3.708   1000
   1475.22   3.692    700
   1472.29   3.684    818

in D2O

in DMSO-d6