22879-79-4

吡哆素(22879-79-4)红外图谱(IR1)

产品名称:吡哆素

CAS:22879-79-4

分子式:C10H16N2O3S

分子量: 244.31

InChI:InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6?,7-,9?/s3

InChIKey: YBJHBAHKTGYVGT-OGHHUDDSNA-N

Smiles:O=C1NC2[C@H](CCCCC(=O)O)SCC2N1 |&1:4,r|

IR1

IR2

Mass

MS-NW-2038          
Biotin
C10H16N2O3S         (Mass of molecular ion:    244)

   Source Temperature: 220 °C
   Sample Temperature: 260 °C
   Direct, 75 eV

      15.0       2.7
      17.0       5.2
      18.0      25.9
      26.0       3.5
      27.0      16.3
      28.0      18.1
      29.0       6.4
      30.0       6.6
      32.0       2.1
      33.0       1.8
      34.0       5.5
      38.0       1.7
      39.0      13.8
      40.0       4.0
      41.0      25.0
      42.0      13.0
      43.0      12.4
      44.0       8.8
      45.0      22.1
      46.0       9.0
      47.0       5.7
      48.0       1.1
      50.0       1.6
      51.0       3.1
      52.0       3.1
      53.0       7.3
      54.0       9.4
      55.0      11.0
      56.0      12.6
      57.0       2.1
      58.0       3.6
      59.0       5.9
      60.0       6.3
      61.0      36.2
      62.0       1.4
      63.0       1.3
      65.0       4.4
      66.0       3.4
      67.0      20.7
      68.0       9.5
      69.0       8.9
      70.0      11.4
      71.0       7.0
      72.0       2.0
      73.0      13.0
      74.0       7.4
      75.0       4.7
      76.0       2.1
      77.0       3.3
      78.0       2.3
      79.0       6.8
      80.0       5.8
      81.0       6.1
      82.0       6.2
      83.0       1.9
      84.0      23.9
      85.0      56.1
      86.0       6.5
      87.0      25.8
      88.0       3.7
      89.0       1.9
      91.0       5.0
      92.0       1.7
      93.0       3.3
      94.0       3.6
      95.0       3.8
      96.0       4.0
      97.0     100.0
      98.0      25.4
      99.0      10.2
     100.0      28.5
     101.0       7.5
     102.0       2.6
     103.0       1.4
     104.0       1.6
     105.0       1.6
     106.0       2.2
     107.0       1.3
     108.0       1.9
     109.0       1.4
     110.0       5.2
     111.0       9.9
     112.0      45.2
     113.0      11.2
     114.0       3.9
     115.0       4.2
     116.0       1.1
     117.0       1.5
     118.0       1.4
     119.0       1.2
     120.0       1.2
     122.0       1.5
     123.0       3.4
     124.0       3.8
     125.0       2.1
     126.0       2.2
     127.0       2.2
     128.0       1.5
     129.0       1.9
     130.0       3.3
     131.0       1.4
     132.0       1.2
     134.0       1.4
     135.0       1.3
     136.0       1.7
     137.0       2.3
     138.0       4.2
     139.0       1.9
     140.0       1.9
     141.0       1.2
     142.0       3.3
     143.0      15.7
     144.0       7.2
     145.0       2.8
     147.0       1.7
     148.0       1.8
     149.0       1.1
     150.0       1.7
     151.0       3.1
     152.0       5.8
     153.0       1.2
     154.0       1.2
     155.0       1.1
     157.0       1.3
     158.0       1.1
     160.0       6.5
     161.0       1.4
     162.0       1.5
     165.0       3.0
     166.0       6.9
     167.0       1.3
     168.0       1.7
     169.0       1.1
     179.0       1.6
     180.0       1.4
     182.0       1.0
     183.0       2.7
     184.0      49.0
     185.0      18.3
     186.0       4.4
     187.0       1.1
     197.0       3.6
     198.0       7.2
     199.0       1.4
     200.0       1.4
     208.0       1.2
     226.0       9.8
     227.0       2.2
     244.0       7.6
     245.0       1.0

KBr disc