14923-17-2

硫酸魁蛤素(14923-17-2)质谱(MS)

产品名称:硫酸魁蛤素

CAS:14923-17-2

分子式:C6H18N6O4S

分子量: 270.31

InChI:InChI=1S/C6H16N6.H2O4S/c7-5(8)11-3-1-2-4-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)

InChIKey: RWTGFMPOODRXIM-UHFFFAOYSA-N

Smiles:S(=O)(=O)(O)O.C(=N)(N)NCCCCNC(=N)N

¹HNMR

IR1

IR2

Mass

MS-NW-9085          
1,1'-tetramethylenediguanidine sulfate
C6H16N6 H2O4S       (Mass of molecular ion:    172)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      13.0       2.1
      14.0       1.0
      15.0       3.4
      16.0      46.8
      17.0      87.9
      18.0      23.1
      26.0       1.7
      27.0       4.9
      28.0      19.9
      29.0       9.8
      30.0     100.0
      31.0       6.6
      32.0       1.8
      34.0       1.7
      39.0       3.7
      40.0       2.4
      41.0      16.6
      42.0      66.1
      43.0      73.6
      44.0      44.9
      45.0       8.1
      48.0       9.0
      54.0       1.4
      55.0       1.9
      56.0       8.5
      57.0       4.6
      58.0       5.4
      59.0      12.7
      60.0       5.0
      64.0      32.6
      66.0       1.7
      67.0       2.5
      68.0       5.5
      69.0       7.4
      70.0      12.4
      71.0       8.2
      72.0       2.2
      80.0       1.0
      83.0       1.7
      84.0       4.5
      85.0       3.2
      86.0       2.8
      98.0       2.7
     109.0       1.2
     111.0       1.2
     112.0       1.3
     113.0       4.3
     114.0       9.9
     115.0       1.1
     121.0       2.6
     122.0       2.4
     126.0       2.0
     127.0       3.0
     139.0       1.1
     150.0       6.2
     151.0       1.4
     152.0       1.2
     154.0       1.1
     181.0       1.0