D-Glucuronic acid(6556-12-3) MS

Product NameD-Glucuronic acid

CAS 6556-12-3

Molecular FormulaC6H10O7

Molecular Weight194.14

InChIInChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1

InChIKey IAJILQKETJEXLJ-QTBDOELSSA-N

SmilesO=C[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O)O)O)O

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Mass

MS-IW-6589          
D-glucopyranuronic acid
C6H10O7             (Mass of molecular ion:    194)

   Source Temperature: 170 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      14.0       1.6
      15.0       5.8
      16.0       1.3
      17.0      14.6
      18.0      62.3
      19.0       8.8
      26.0       4.2
      27.0       7.6
      28.0      53.0
      29.0      24.0
      30.0       8.7
      31.0      17.3
      32.0       2.9
      38.0       1.3
      39.0       6.7
      40.0       2.6
      41.0       2.5
      42.0      13.2
      43.0      23.8
      44.0      50.7
      45.0      10.9
      47.0       3.9
      53.0       1.3
      54.0       2.9
      55.0      10.7
      56.0       4.8
      57.0      16.6
      58.0      14.0
      59.0       2.5
      60.0      32.2
      61.0      21.6
      68.0       3.5
      69.0       1.8
      70.0       1.2
      71.0      19.3
      72.0      11.9
      73.0     100.0
      74.0       3.9
      76.0      17.5
      77.0       1.3
      83.0      10.9
      84.0       7.3
      85.0       7.8
      86.0       5.2
      87.0       1.1
      88.0       1.0
      89.0       2.8
      91.0       4.9
      95.0       3.4
      96.0       5.1
      97.0       1.3
      99.0       1.2
     100.0       2.1
     101.0      40.2
     102.0       4.0
     103.0       1.0
     112.0       1.5
     113.0       1.4
     114.0       4.7
     119.0      19.5
     131.0       1.4
     147.0       5.4
     159.0       2.3
     176.0       4.3