5965-66-2

β-乳糖(5965-66-2)核磁图(¹³CNMR)

分子式:C12H22O11

分子量: 342.3

InChI:InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/s3

InChIKey: GUBGYTABKSRVRQ-OSPDPTQPNA-N

Smiles:[C@@H]1([C@H](O)[C@H]([C@H](O)O[C@@H]1CO)O)O[C@H]1[C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O |&1:0,1,3,4,7,12,13,15,16,18,r|

Mass

MS-IW-4088          
beta-D-(+)-lactose
C12H22O11           (Mass of molecular ion:    342)

   Source Temperature: 190 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      14.0       1.5
      15.0      10.1
      17.0       7.2
      18.0      38.5
      19.0      10.6
      26.0       2.2
      27.0      10.4
      28.0      11.7
      29.0      32.0
      30.0       5.9
      31.0      54.7
      32.0       8.3
      39.0       8.3
      40.0       3.4
      41.0      17.4
      42.0      16.0
      43.0      67.6
      44.0      23.2
      45.0      23.0
      46.0       3.0
      47.0       3.9
      49.0       4.7
      53.0       3.1
      54.0       2.8
      55.0      14.6
      56.0      12.7
      57.0      48.1
      58.0      21.1
      59.0       5.8
      60.0      60.7
      61.0      49.0
      62.0       2.3
      67.0       1.5
      68.0       6.3
      69.0      21.1
      70.0       6.6
      71.0      37.1
      72.0      10.4
      73.0     100.0
      74.0      11.5
      75.0       2.1
      77.0       6.1
      80.0       1.0
      81.0       4.0
      82.0       1.2
      83.0       2.8
      84.0       3.6
      85.0      41.9
      86.0      12.4
      87.0       9.8
      88.0       1.1
      89.0       5.5
      90.0       2.4
      91.0      21.7
      95.0       2.1
      96.0       3.4
      97.0      18.9
      98.0       7.2
      99.0       4.4
     100.0       1.0
     101.0      10.4
     102.0       9.6
     103.0      23.7
     104.0       2.0
     109.0       1.9
     110.0       1.4
     111.0       1.1
     113.0       6.3
     114.0       2.9
     115.0       6.2
     116.0       3.6
     119.0       4.1
     126.0       4.3
     127.0       7.4
     128.0       2.5
     131.0      10.1
     132.0       2.0
     133.0       4.7
     134.0       1.1
     144.0       5.3
     145.0      10.0
     146.0       1.3
     149.0       2.0
     162.0       1.0
     163.0       7.2
     173.0       2.1
     191.0       3.1