58-56-0

吡哆醇盐酸盐(58-56-0)质谱(MS)

产品名称:吡哆醇盐酸盐

CAS:58-56-0

分子式:C8H12ClNO3

分子量: 205.64

InChI:InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H

InChIKey: ZUFQODAHGAHPFQ-UHFFFAOYSA-N

Smiles:C1(CO)=C(O)C(=NC=C1CO)C.Cl

Mass

MS-NW-9241          
pyridoxine hydrochloride
C8H11NO3 HCl        (Mass of molecular ion:    169)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.4
      18.0       7.5
      26.0       1.2
      27.0       7.3
      28.0       6.0
      29.0       3.5
      31.0       4.6
      35.0       4.4
      36.0      40.1
      37.0       1.7
      38.0      13.4
      39.0      19.2
      40.0       2.4
      41.0       5.6
      42.0      12.1
      43.0       4.7
      50.0       2.7
      51.0       9.8
      52.0       6.5
      53.0      14.3
      54.0      12.2
      55.0       5.6
      63.0       2.2
      64.0       1.9
      65.0       6.1
      66.0       4.2
      67.0       9.2
      68.0       2.6
      69.0       1.9
      77.0       4.6
      78.0       3.5
      79.0       4.0
      80.0      11.7
      81.0      18.2
      82.0      13.1
      83.0       1.4
      92.0       4.8
      93.0       4.7
      94.0      92.1
      95.0      10.1
      96.0       1.2
     104.0       1.6
     105.0       5.8
     106.0      82.5
     107.0      18.2
     108.0       9.0
     109.0       1.7
     110.0       2.5
     120.0       4.3
     121.0       1.9
     122.0      28.9
     123.0      10.3
     124.0       2.2
     133.0      11.2
     134.0       2.5
     135.0       1.3
     136.0      15.3
     137.0       1.5
     138.0       2.8
     149.0       1.7
     150.0      10.6
     151.0     100.0
     152.0      12.4
     153.0       3.1
     169.0      77.6
     170.0      11.5
     171.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₁ N O₃	0.045 g : 0.5 ml DMSO-d₆
pyridoxine hydrochloride

    Assign.     Shift(ppm)

      A             8.122
      B             6.
      C             4.794
      D             4.723
      E             2.617

     Hz     ppm     Int.

   3245.97   8.123    326
   1915.89   4.794    701
   1887.70   4.724    514
   1046.02   2.618   1000

in D2O

KBr disc

nujol mull

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