54-47-7

磷酸吡哆醛(54-47-7)质谱(MS)

产品名称:磷酸吡哆醛

CAS:54-47-7

分子式:C8H10NO6P

分子量: 247.14

InChI:InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)

InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N

Smiles:C1(C)=NC=C(COP(O)(O)=O)C(C=O)=C1O

IR1

IR2

Mass

MS-NW-9097          
pyridoxine phosphate
C8H11NO3 H3O4P      (Mass of molecular ion:    169)

   Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       1.6
      17.0      12.2
      18.0      69.5
      26.0       1.8
      27.0       9.7
      28.0       9.2
      29.0       4.9
      31.0       6.0
      37.0       1.0
      38.0       3.0
      39.0      27.6
      40.0       3.6
      41.0       8.3
      42.0      17.9
      43.0       7.2
      50.0       3.8
      51.0      13.2
      52.0       9.0
      52.5       1.0
      53.0      20.7
      54.0      18.9
      55.0       8.1
      56.0       1.5
      57.0       1.2
      63.0       2.7
      64.0       2.3
      65.0       7.3
      66.0       5.3
      67.0      11.4
      68.0       3.2
      69.0       2.5
      77.0       4.8
      78.0       3.8
      79.0       4.3
      80.0      13.8
      81.0      20.4
      82.0      15.4
      83.0       1.6
      92.0       4.6
      93.0       4.7
      94.0     100.0
      95.0      10.9
      96.0       1.5
      98.0       1.0
     104.0       1.5
     105.0       5.6
     106.0      74.9
     107.0      19.6
     108.0       9.1
     109.0       1.7
     110.0       2.8
     120.0       3.9
     121.0       1.7
     122.0      28.0
     123.0      12.1
     124.0       3.2
     133.0      10.0
     134.0       2.2
     135.0       2.1
     136.0      13.5
     137.0       1.5
     138.0       2.4
     149.0       1.7
     150.0       9.8
     151.0      86.6
     152.0      10.4
     153.0       4.2
     169.0      58.4
     170.0       6.9

KBr disc