3150-24-1

4-硝基苯基-D-吡喃葡糖苷(3150-24-1)质谱(MS)

分子式:C12H15NO8

分子量: 301.25

InChI:InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/s3

InChIKey: IFBHRQDFSNCLOZ-IDEGKBHYNA-N

Smiles:O(C1=CC=C([N+]([O-])=O)C=C1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |&1:10,12,15,17,19,r|

IR1

IR2

Mass

MS-IW-1209          
(-)-p-nitrophenyl beta-D-galactopyranoside
C12H15NO8           (Mass of molecular ion:    301)

   Source Temperature: 180 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       3.2
      18.0       4.2
      19.0       5.4
      26.0       1.8
      27.0       7.0
      28.0       6.7
      29.0      13.9
      30.0       4.4
      31.0      14.8
      37.0       1.2
      38.0       3.4
      39.0      21.3
      40.0       1.7
      41.0      10.3
      42.0       6.8
      43.0      25.3
      44.0       7.0
      45.0      19.2
      47.0       2.7
      50.0       4.1
      51.0       3.3
      52.0       2.3
      53.0       9.5
      54.0       2.2
      55.0      11.9
      56.0       8.6
      57.0      34.9
      58.0       3.1
      59.0       3.6
      60.0      35.0
      61.0      27.6
      62.0       3.6
      63.0       7.8
      64.0       4.7
      65.0      37.5
      66.0       3.2
      67.0       1.7
      68.0       2.2
      69.0      22.5
      70.0       8.1
      71.0      21.6
      72.0       6.5
      73.0      94.8
      74.0      10.1
      75.0       5.7
      76.0       3.7
      77.0       3.5
      78.0       1.3
      79.0       1.5
      80.0       2.4
      81.0      13.2
      82.0       1.8
      83.0       2.8
      84.0       1.8
      85.0      44.6
      86.0       6.0
      87.0      14.1
      88.0       1.6
      89.0       4.6
      90.0       2.6
      91.0     100.0
      92.0       6.0
      93.0      18.3
      94.0       4.3
      95.0       2.1
      96.0       1.5
      97.0      19.3
      98.0       5.5
      99.0       5.7
     101.0       9.1
     102.0       2.0
     103.0      12.1
     106.0       1.0
     107.0       2.3
     108.0       1.7
     109.0      32.4
     110.0       2.9
     111.0       1.0
     113.0       2.6
     114.0       1.8
     115.0       7.9
     116.0       1.3
     122.0       1.4
     123.0      15.9
     124.0       2.6
     127.0      17.6
     128.0       1.4
     131.0       2.0
     133.0       2.0
     136.0       1.5
     139.0      75.3
     140.0      14.6
     141.0       1.7
     144.0       4.0
     145.0      34.9
     146.0       2.7
     152.0       2.1
     162.0       1.0
     163.0      22.5
     164.0       1.9
     165.0       1.9
     181.0       1.5
     182.0       1.4

KBr disc