97-05-2

5-磺基水杨酸(97-05-2)质谱(MS)

产品名称:5-磺基水杨酸

CAS:97-05-2

分子式:C7H6O6S

分子量: 218.18

Mass

MS-NW-9015          
2-hydroxy-5-sulfobenzoic acid
C7H6O6S 2H2O        (Mass of molecular ion:    218)

   Source Temperature: 220 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.7
      18.0       9.5
      27.0       1.6
      28.0       5.2
      32.0       1.1
      38.0       2.0
      39.0       5.7
      44.0       4.2
      45.0       2.3
      48.0       1.2
      50.0       1.4
      51.0       3.9
      52.0       3.1
      53.0       7.5
      55.0       1.8
      61.0       1.5
      62.0       5.1
      63.0      13.2
      64.0       4.6
      65.0       2.4
      69.0       1.7
      79.0      13.2
      80.0       6.8
      81.0       4.1
      90.0       1.2
      91.0       6.6
      92.0       7.0
      93.0       1.1
     107.0      16.9
     108.0       5.7
     109.0       1.9
     119.0       1.4
     120.0       4.4
     135.0       2.5
     137.0       1.3
     138.0       2.1
     155.0       3.8
     167.0       1.0
     172.0      29.2
     173.0       2.4
     174.0       2.5
     200.0     100.0
     201.0      10.9
     202.0       6.0
     218.0      28.4
     219.0       2.6
     220.0       1.7

90 MHz in D2O

¹H NMR	89.56 MHz
C₇ H₆ O₆ S	0.038 g : 0.5 ml D₂O
2-hydroxy-5-sulfobenzoic acid

    Assign.     Shift(ppm)

      A             8.304
      B             7.925
      C             7.081
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    748.69   8.360     50
    744.94   8.318    864
    742.56   8.292   1000
    739.69   8.260     64
    739.19   8.254     55
    738.69   8.248     50
    737.94   8.240     46
    718.00   8.017     53
    715.81   7.993    660
    713.38   7.966    553
    711.94   7.950     61
    711.31   7.943     59
    710.63   7.935     53
    710.13   7.930     57
    709.31   7.920     75
    707.00   7.895    789
    704.63   7.868    711
    702.81   7.848     48
    702.69   7.847     48
    702.56   7.845     48
    702.31   7.842     48
    642.69   7.177     44
    640.56   7.153     86
    638.13   7.126    963
    635.63   7.098     59
    634.63   7.087     48
    634.19   7.082     55
    633.81   7.077     48
    633.06   7.069     50
    632.63   7.064     55
    629.38   7.028    776
    627.63   7.008     66
    626.88   7.000     48

in D2O