4468-02-4

葡萄糖酸锌(4468-02-4)质谱(MS)

分子式:C12H22O14Zn

分子量: 455.68

InChI:InChI=1/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/s3

InChIKey: WHMDKBIGKVEYHS-ATBKJFGMNA-L

Smiles:[C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)C(=O)O[Zn]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |&1:0,2,4,8,17,19,21,23,r|

Mass

MS2001-00901WA      
gluconic acid zinc(II) salt hydrate
C12H22O14Zn 3H2O    (Mass of molecular ion:    454)

   Source Temperature: 230 °C
   Sample Temperature: 115 °C
   Direct, 70 eV

      14.0       1.3
      15.0       8.5
      16.0       1.0
      17.0       3.8
      18.0      12.5
      19.0       7.4
      26.0       4.1
      27.0      14.0
      28.0       4.2
      29.0      37.8
      30.0       9.4
      31.0      45.9
      32.0       1.5
      37.0       1.4
      38.0       2.8
      39.0      11.7
      40.0       2.6
      41.0       9.1
      42.0      28.2
      43.0      52.7
      44.0      23.2
      45.0      20.6
      47.0       3.1
      50.0       1.5
      51.0       1.8
      52.0       1.1
      53.0       2.8
      54.0       5.8
      55.0      22.1
      56.0       8.8
      57.0      25.6
      58.0      11.6
      59.0       4.0
      60.0      52.3
      61.0      74.1
      62.0       2.5
      63.0       1.2
      68.0       3.3
      69.0      11.3
      70.0       6.0
      71.0      42.3
      72.0      25.4
      73.0     100.0
      74.0       9.1
      75.0       1.5
      76.0      14.0
      77.0       1.0
      81.0       1.9
      83.0       5.2
      84.0       4.8
      85.0      40.5
      86.0       8.8
      87.0       2.4
      89.0       6.3
      90.0       2.4
      91.0       6.1
      96.0       3.1
      97.0       7.3
      98.0       4.8
      99.0       1.5
     100.0      16.2
     101.0       5.2
     102.0       1.3
     103.0      21.7
     104.0       1.3
     112.0       2.9
     113.0       1.3
     114.0       5.9
     115.0       1.1
     118.0       6.1
     119.0       7.5
     125.0      10.1
     126.0       1.1
     132.0       1.2
     140.0      12.0
     141.0       1.2
     142.0       7.8
     147.0       8.3
     160.0      20.3
     161.0       2.0

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