32449-92-6

D-Glucurone(32449-92-6) MS

Product NameD-Glucurone

CAS 32449-92-6

Molecular FormulaC6H8O6

Molecular Weight176.12

InChIInChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/s3

InChIKey UYUXSRADSPPKRZ-QICJDPMJNA-N

Smiles[C@H]([C@@]1([H])OC(=O)[C@@H](O)[C@H]1O)(O)C=O |&1:0,1,6,8,r|

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D-Glucurone(32449-92-6) MS
Mass

MS-IW-6764          
D-glucurono-6,3-lactone
C6H8O6              (Mass of molecular ion:    176)

   Source Temperature: 160 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      14.0       1.9
      15.0       6.3
      17.0       3.0
      18.0      15.4
      19.0       8.0
      26.0       4.5
      27.0      10.4
      28.0      33.3
      29.0      29.8
      30.0       9.5
      31.0      17.6
      32.0       1.4
      37.0       1.1
      38.0       2.0
      39.0       8.4
      40.0       3.2
      41.0       2.5
      42.0      14.0
      43.0      23.6
      44.0      33.5
      45.0      11.0
      47.0       4.2
      52.0       1.0
      53.0       1.5
      54.0       3.4
      55.0      12.1
      56.0       4.5
      57.0      17.0
      58.0      13.5
      59.0       1.6
      60.0      30.4
      61.0      19.4
      68.0       3.8
      69.0       1.7
      71.0      19.4
      72.0      10.3
      73.0     100.0
      74.0       4.3
      76.0      12.0
      77.0       1.0
      83.0       9.0
      84.0       7.0
      85.0       7.8
      86.0       6.0
      89.0       1.8
      91.0       4.4
      95.0       4.0
      96.0       5.7
      97.0       1.0
     100.0       3.0
     101.0      33.2
     102.0       2.7
     112.0       1.5
     114.0       1.2
     119.0      15.7
     131.0       1.0
     147.0       2.8
     159.0       1.5
     176.0       5.4