溴百里酚蓝

Mass

MS2011-04454CW      
bromothymol blue
C27H28Br2O5S        (Mass of molecular ion:    622)

   Source Temperature: 250 °C
   Sample Temperature:  80 °C
   Direct, 70 eV

      15.0       2.3
      17.0       3.2
      18.0      12.8
      23.0       1.5
      27.0      12.3
      28.0       6.2
      29.0       5.5
      31.0       1.6
      32.0       1.1
      36.0       2.1
      38.0       1.2
      39.0       9.5
      39.5       1.0
      40.0       1.8
      41.0      27.7
      42.0       2.1
      43.0      66.5
      44.0       7.9
      45.0       1.3
      48.0       2.9
      50.0       1.9
      51.0       5.2
      52.0       1.6
      53.0       5.4
      55.0       5.6
      57.0       1.1
      63.0       2.9
      64.0       7.1
      65.0       6.4
      66.0       1.4
      67.0      12.4
      69.0       4.1
      75.0       2.0
      76.0       4.2
      77.0      18.4
      78.0       6.7
      79.0      24.0
      80.0      42.9
      81.0      17.5
      82.0      41.3
      83.0       2.6
      88.0       1.0
      89.0       4.2
      90.0       1.4
      91.0      13.3
      92.0       2.6
      93.0       1.9
      94.0       1.1
      94.5       1.3
      95.0       1.4
      97.0       1.4
     101.0       3.4
     102.0       2.6
     103.0       8.6
     104.0       7.0
     105.0      13.1
     106.0       1.9
     106.5       1.3
     107.0       2.9
     107.5       1.4
     108.0       1.8
     109.0       1.2
     113.0       5.6
     113.5       1.5
     114.0       2.9
     115.0      13.0
     116.0       3.3
     117.0       3.4
     118.0       2.1
     118.5       2.0
     119.0       4.9
     119.5       6.5
     120.0       5.7
     120.5       1.1
     121.0       3.8
     122.0       1.1
     125.0       4.2
     125.5       1.7
     126.0      10.9
     126.5       3.4
     127.0       4.5
     127.5       1.5
     128.0       6.0
     129.0       3.6
     130.0       1.2
     131.0       5.3
     131.5       8.8
     132.0      10.3
     132.5       5.3
     133.0      16.4
     133.5       1.7
     134.0       8.3
     134.5       1.7
     135.0       4.8
     136.0       1.6
     137.0       3.2
     137.5       1.4
     138.0      13.3
     138.5       5.7
     139.0       7.9
     139.5       3.3
     140.0       4.2
     140.5       2.7
     141.0       5.6
     141.5       1.7
     142.0       2.1
     143.0       1.1
     143.5       3.1
     144.0       3.0
     144.5       6.4
     145.0       7.3
     145.5       2.5
     146.0       6.5
     146.5       3.1
     147.0       7.3
     147.5       3.1
     148.0      12.6
     148.5       1.8
     149.0       3.7
     149.5       1.0
     150.0       5.3
     150.5       2.2
     151.0       7.0
     151.5       1.7
     152.0      10.4
     152.5       2.5
     153.0      12.0
     153.5       2.0
     154.0       4.6
     154.5       2.9
     155.0       4.9
     155.5       3.2
     156.0       2.6
     156.5       2.0
     157.0       2.2
     158.0       1.7
     159.0       2.2
     159.5       1.6
     160.0       2.8
     160.5       1.8
     161.0       3.4
     161.5       3.0
     162.0       5.1
     162.5       2.7
     163.0       6.1
     163.5       1.2
     164.0       6.8
     165.0      19.4
     166.0       5.5
     167.0       2.7
     167.5       1.2
     168.0       3.0
     168.5       3.6
     169.0       6.0
     169.5       3.2
     170.0       2.5
     170.5       1.0
     171.0       1.3
     175.0       1.6
     176.0       6.9
     176.5       4.3
     177.0       8.0
     177.5       1.4
     178.0      12.3
     179.0       6.8
     180.0       2.3
     181.0       7.3
     182.0       3.6
     183.0       1.3
     184.0       1.6
     184.5       1.1
     185.0       1.7
     187.0       2.1
     188.0       2.1
     189.0      14.0
     190.0       6.1
     191.0       8.5
     192.0       4.6
     193.0       3.7
     194.0       6.6
     195.0       5.4
     196.0       2.2
     197.0       1.4
     199.0       1.8
     200.0       3.2
     201.0       4.1
     201.5       1.1
     202.0      15.5
     202.5       1.8
     203.0       8.8
     203.5       1.0
     204.0       2.7
     205.0       5.7
     206.0       3.0
     207.0       5.7
     208.0       5.6
     208.5       1.1
     209.0       7.8
     209.5       2.6
     210.0      10.2
     210.5       1.3
     211.0       4.1
     212.0       4.4
     213.0       8.4
     214.0       6.2
     215.0      10.6
     215.5       1.0
     216.0       7.6
     216.5       3.3
     217.0       7.0
     217.5       2.4
     218.0       6.5
     219.0       7.9
     220.0       6.3
     221.0       9.1
     222.0       3.3
     223.0       3.6
     223.5       2.6
     224.0       4.9
     224.5       3.1
     225.0       4.5
     226.0      12.5
     227.0       7.3
     228.0       7.1
     229.0       4.8
     230.0       3.3
     231.0       4.6
     232.0       3.2
     233.0       3.0
     234.0       2.9
     235.0       6.1
     236.0       6.9
     237.0       8.5
     238.0       4.1
     239.0      19.1
     240.0       7.6
     241.0       6.3
     242.0       4.3
     243.0       7.8
     244.0       3.5
     245.0       5.7
     246.0       1.8
     247.0       1.2
     248.0       1.6
     249.0       2.7
     249.5       1.4
     250.0       8.1
     251.0       9.4
     252.0      15.6
     253.0      11.6
     254.0       4.7
     255.0      14.6
     256.0       6.3
     257.0      10.3
     257.5       1.0
     258.0       4.3
     259.0       2.3
     260.0       1.1
     261.0       1.9
     262.0       1.3
     263.0      11.4
     264.0       7.2
     264.5       1.0
     265.0      12.0
     266.0       6.9
     267.0       5.8
     268.0      11.0
     269.0      12.7
     270.0       6.3
     271.0       5.1
     272.0       2.9
     273.0       3.9
     274.0       2.9
     275.0       4.1
     276.0       7.9
     277.0       7.2
     278.0       4.2
     279.0       8.9
     280.0       5.1
     281.0      13.9
     282.0      13.5
     283.0      11.2
     284.0      13.3
     285.0       7.8
     286.0       3.0
     287.0       3.6
     288.0       3.3
     289.0       5.7
     290.0       3.7
     291.0       4.2
     292.0       6.7
     293.0       8.4
     294.0       6.4
     295.0      10.1
     296.0       7.5
     297.0      11.2
     297.5       1.6
     298.0      15.1
     299.0      11.2
     300.0       6.1
     301.0       6.9
     302.0       5.0
     303.0       3.4
     304.0       4.1
     305.0       4.2
     306.0       4.1
     307.0       6.2
     308.0       6.5
     309.0       8.4
     310.0      10.6
     311.0      11.7
     312.0       5.9
     313.0       5.7
     314.0       4.3
     315.0      18.1
     316.0       9.5
     317.0      15.6
     318.0       4.2
     319.0       2.8
     320.0       1.9
     321.0       2.9
     322.0       2.5
     323.0       5.1
     324.0       6.9
     325.0       8.1
     326.0       7.3
     327.0       5.0
     328.0       1.9
     329.0       2.0
     330.0       3.5
     331.0       3.1
     332.0       3.7
     333.0       3.5
     334.0       1.8
     335.0       2.9
     336.0       2.0
     337.0       3.2
     338.0       2.6
     339.0       4.6
     340.0       4.6
     341.0       4.0
     342.0       2.8
     343.0       9.0
     344.0       2.6
     345.0       1.4
     346.0       3.0
     347.0       3.1
     348.0       3.4
     349.0       3.6
     350.0       1.9
     351.0       2.5
     352.0       1.7
     353.0       2.8
     354.0       1.5
     355.0       1.8
     356.0       1.7
     357.0       1.8
     359.0       2.4
     360.0       2.4
     361.0       4.4
     362.0       9.1
     363.0       7.4
     364.0       8.8
     365.0       5.9
     366.0       2.9
     367.0       2.5
     368.0       1.8
     369.0       3.0
     370.0       1.5
     371.0       3.9
     372.0       1.8
     373.0       2.9
     374.0       2.5
     375.0       5.8
     376.0       6.0
     377.0       8.4
     378.0       8.6
     379.0      13.3
     380.0       6.9
     381.0      10.3
     382.0       3.4
     383.0       2.1
     384.0       6.7
     385.0       6.0
     386.0       2.8
     387.0       3.2
     388.0       4.0
     389.0       7.4
     390.0       6.8
     391.0       8.3
     392.0       6.4
     393.0      20.2
     394.0      40.4
     395.0      39.3
     396.0      43.5
     397.0      23.5
     398.0       5.9
     399.0       2.5
     401.0       1.8
     402.0       1.8
     403.0       4.1
     404.0       5.2
     405.0      10.0
     406.0       7.6
     407.0       7.8
     408.0       4.0
     409.0       2.2
     411.0       1.0
     415.0       1.3
     417.0       2.7
     418.0       2.8
     419.0       5.7
     420.0       7.0
     421.0      22.5
     422.0      11.4
     423.0      22.2
     424.0       6.0
     425.0       1.5
     431.0       1.8
     432.0       1.3
     433.0       5.4
     434.0       2.9
     435.0       7.3
     436.0       3.2
     437.0       4.2
     438.0       1.5
     439.0       1.6
     441.0       2.4
     442.0       1.4
     443.0       2.8
     444.0       4.2
     445.0       3.4
     446.0       4.5
     447.0       9.5
     448.0       6.5
     449.0      16.2
     450.0       8.4
     451.0      13.5
     452.0       4.2
     453.0       1.4
     455.0       1.9
     456.0       1.6
     457.0       2.8
     458.0       7.9
     459.0       6.1
     460.0       8.4
     461.0       7.0
     462.0      27.3
     463.0      35.1
     464.0      35.0
     465.0      36.5
     466.0      13.3
     467.0       6.8
     468.0       2.0
     469.0       3.2
     470.0       2.7
     471.0       3.3
     472.0       2.7
     473.0       2.5
     474.0       1.1
     475.0       1.0
     479.0       1.6
     480.0       1.1
     481.0       1.1
     483.0       2.5
     484.0       2.3
     485.0       5.2
     486.0       8.2
     487.0       5.8
     488.0       7.1
     489.0       2.9
     497.0       1.9
     498.0       2.2
     499.0      48.2
     500.0      26.6
     501.0     100.0
     502.0      38.8
     503.0      57.1
     504.0      14.9
     505.0       4.0
     511.0       2.4
     512.0       1.3
     513.0       5.2
     514.0       2.4
     515.0       5.7
     516.0       2.1
     517.0       3.9
     518.0       1.7
     519.0       1.5
     520.0       1.6
     522.0       1.0
     523.0       4.4
     524.0       1.6
     525.0      10.5
     526.0       4.1
     527.0      34.1
     528.0      18.8
     529.0      66.4
     530.0      26.7
     531.0      39.6
     532.0      11.1
     533.0       2.4
     537.0       7.1
     538.0       2.5
     539.0      14.3
     540.0       6.5
     541.0      19.9
     542.0      16.3
     543.0      45.2
     544.0      31.4
     545.0      45.7
     546.0      23.5
     547.0      15.6
     548.0       4.2
     549.0       1.1
     551.0       1.1
     558.0       1.4
     559.0       1.0
     560.0       1.6
     564.0       1.1
     565.0       2.2
     566.0       2.4
     567.0       3.8
     568.0       1.9
     569.0       2.0
     579.0      20.0
     580.0       5.7
     581.0      40.2
     582.0      11.0
     583.0      22.5
     584.0       5.9
     585.0       2.0
     607.0      47.7
     608.0      14.3
     609.0      96.6
     610.0      28.2
     611.0      53.4
     612.0      15.1
     613.0       4.7
     614.0       1.0
     621.0       1.9
     622.0      34.2
     623.0      14.1
     624.0      69.0
     625.0      23.1
     626.0      38.6
     627.0      11.6
     628.0       3.6

Assign. Shift(ppm) A 7.87 B 7.69 C 7.65 D 7.104 E 6.648 F 5.7 G 3.191 J 2.154 K *1 1.037 L *1 0.999 THE SHIFT VALUES OF B AND C WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    711.50   7.945     39
    709.50   7.923     39
    706.50   7.889     60
    705.81   7.881     54
    702.88   7.849     86
    702.56   7.845     87
    696.56   7.778     31
    691.38   7.720    136
    689.25   7.696     78
    687.75   7.680    122
    686.50   7.666    123
    684.81   7.647     72
    682.56   7.622    139
    639.88   7.145     78
    637.44   7.118     53
    636.38   7.106     69
    633.38   7.073     52
    631.25   7.049     59
    595.38   6.648    273
    510.81   5.704     36
    300.19   3.352     30
    299.81   3.348     30
    293.25   3.275     78
    286.31   3.197    111
    279.63   3.123     90
    272.75   3.046     39
    192.94   2.155   1000
     96.25   1.075    405
     92.75   1.036    955
     89.50   1.000    425
     85.94   0.960    854