138-52-3

水杨甙(138-52-3)质谱(MS)

产品名称:水杨甙

CAS:138-52-3

分子式:C13H18O7

分子量: 286.28

InChI:InChI=1/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/s3

InChIKey: NGFMICBWJRZIBI-SYDLEIBONA-N

Smiles:[C@@H]1([C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)OC1C=CC=CC=1CO |&1:0,1,3,4,6,r|

Mass

MS-NW-1793          
salicin
C13H18O7            (Mass of molecular ion:    286)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       3.3
      17.0       1.0
      18.0       4.9
      19.0       5.3
      26.0       1.3
      27.0       7.0
      28.0       3.2
      29.0      10.4
      30.0       1.6
      31.0      14.6
      32.0       1.1
      38.0       1.5
      39.0       9.8
      40.0       1.6
      41.0       9.2
      42.0       4.5
      43.0      16.9
      44.0       3.5
      45.0      13.9
      47.0       1.7
      50.0       3.1
      51.0       8.0
      52.0       4.9
      53.0       4.2
      55.0       7.9
      56.0       4.1
      57.0      20.7
      58.0       1.2
      59.0       1.9
      60.0      17.0
      61.0      14.3
      62.0       1.0
      63.0       2.3
      65.0       4.1
      66.0       1.2
      67.0       1.4
      69.0      12.1
      70.0       2.7
      71.0       6.3
      72.0       1.8
      73.0      25.1
      74.0       3.4
      75.0       1.4
      76.0       1.8
      77.0      20.2
      78.0      41.3
      79.0       6.9
      81.0       2.7
      83.0       1.3
      84.0       1.2
      85.0      18.2
      86.0       1.6
      87.0      11.1
      88.0       1.1
      89.0       3.2
      90.0       1.4
      91.0       9.7
      92.0       1.0
      93.0       1.1
      94.0       1.1
      95.0       3.6
      97.0       6.4
      98.0       1.9
      99.0       2.7
     101.0       2.5
     103.0       2.0
     105.0       2.5
     106.0     100.0
     107.0      36.1
     108.0      12.4
     109.0       2.4
     113.0       1.1
     115.0       1.6
     119.0       2.4
     121.0       4.2
     122.0       4.1
     123.0       2.3
     124.0      87.6
     125.0       7.0
     127.0       4.3
     135.0       3.7
     145.0       3.5
     162.0       2.3