14459-29-1

血卟啉(14459-29-1)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):血卟啉

分子式:C34H38N4O6

分子量: 598.69

InChI:InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-

InChIKey: UJKPHYRXOLRVJJ-AMPAVEGJSA-N

Smiles:C1=C2N=C(C=C3NC(=CC4=NC(=CC5NC1=C(C)C=5CCC(O)=O)C(CCC(O)=O)=C4C)C(C)=C3C(O)C)C(C)=C2C(O)C |c:0,4,7,11|

IR1

IR2

Mass

MS-NW-9135          
hematoporphyrin
C34H38N4O6          (Mass of molecular ion:    598)

   Source Temperature: 240 °C
   Sample Temperature: 320 °C
   Direct, 75 eV

      14.0       2.6
      15.0      11.8
      16.0      10.8
      17.0       6.9
      18.0      40.7
      26.0       5.2
      27.0      16.4
      28.0      43.9
      29.0      10.6
      30.0       7.3
      32.0       2.3
      35.0       1.2
      36.0      19.4
      38.0       6.7
      39.0      11.1
      40.0       3.9
      41.0      15.9
      42.0      12.7
      43.0       6.2
      44.0      18.5
      46.5       1.6
      50.0       1.9
      51.0       4.7
      52.0       4.0
      53.0      10.1
      53.5       1.3
      54.0       3.7
      55.0       3.6
      56.0       2.0
      57.0       2.0
      58.5       1.4
      63.0       2.4
      64.0       1.1
      65.0       7.7
      66.0       4.2
      67.0      17.3
      68.0       2.8
      69.0       1.1
      70.0       1.0
      71.0       1.0
      76.0       1.3
      77.0       9.7
      78.0       4.7
      79.0      10.0
      80.0      13.7
      81.0       9.3
      82.0       2.0
      83.0       1.0
      83.5       1.1
      89.0       1.8
      90.0       1.3
      91.0       5.9
      92.0       4.6
      93.0      14.2
      94.0      59.1
      95.0      20.1
      95.5       1.1
      96.0       2.5
      97.0       1.0
     102.0       1.9
     103.0       2.9
     104.0       3.4
     105.0       2.4
     106.0      11.9
     107.0      16.4
     108.0     100.0
     109.0      40.4
     110.0       4.6
     111.0       2.4
     112.0       1.1
     115.0       3.3
     116.0       2.8
     116.5       1.0
     117.0       4.3
     118.0       5.7
     119.0       3.0
     120.0      13.7
     121.0      12.0
     122.0      45.3
     123.0      39.7
     124.0       4.9
     125.0       1.9
     127.0       1.7
     128.0       2.1
     129.0       1.8
     130.0       4.5
     131.0       4.1
     132.0       4.3
     133.0       3.0
     134.0       8.0
     135.0       6.3
     136.0       8.1
     137.0      12.3
     138.0       1.9
     140.0       1.4
     141.0       1.3
     142.0       1.5
     143.0       2.6
     144.0       4.5
     145.0       3.6
     146.0       3.9
     147.0       3.0
     148.0       3.1
     149.0       3.1
     150.0       1.7
     151.0       2.8
     152.0       1.7
     154.0       1.9
     155.0       1.8
     156.0       1.8
     157.0       1.7
     158.0       3.1
     159.0       2.9
     160.0       3.0
     161.0       2.5
     162.0       1.7
     163.0       1.8
     165.0       1.8
     166.0       1.5
     167.0       2.8
     168.0       2.7
     169.0       2.0
     170.0       2.0
     171.0       1.6
     172.0       2.0
     173.0       3.6
     174.0       2.8
     175.0       2.0
     177.0       1.5
     178.0       1.6
     179.0       1.7
     180.0       2.7
     181.0       3.1
     182.0       3.5
     183.0       2.4
     184.0       2.2
     185.0       1.7
     186.0       1.5
     187.0       2.2
     188.0       2.5
     189.0       1.9
     191.0       2.2
     192.0       2.4
     193.0       2.8
     194.0       3.7
     195.0       4.9
     196.0       4.6
     197.0       3.3
     198.0       2.4
     199.0       2.1
     200.0       1.7
     201.0       2.1
     202.0       3.0
     203.0       3.0
     204.0       2.8
     205.0       2.8
     206.0       3.5
     207.0       5.0
     208.0       5.0
     209.0       8.0
     210.0       7.5
     211.0       5.4
     212.0       3.0
     213.0       2.6
     214.0       2.0
     216.0       2.8
     217.0       3.6
     218.0       5.6
     219.0       5.0
     220.0       5.4
     221.0       8.1
     222.0       6.8
     223.0      13.1
     224.0      11.3
     225.0       6.9
     226.0       3.5
     227.0       2.5
     229.0       2.2
     230.0       2.5
     231.0       4.4
     232.0       6.1
     233.0       8.6
     234.0       9.1
     235.0       9.7
     236.0       8.3
     237.0      15.2
     238.0      13.8
     239.0       5.6
     240.0       3.3
     241.0       2.1
     243.0       2.1
     244.0       2.3
     245.0       4.5
     246.0       4.5
     247.0       9.3
     248.0      11.5
     249.0       8.7
     250.0       7.6
     251.0      10.8
     252.0      11.7
     253.0       4.2
     254.0       2.6
     255.0       1.6
     257.0       1.7
     258.0       1.8
     259.0       3.6
     260.0       3.6
     261.0       6.3
     262.0       8.6
     263.0       6.7
     264.0       6.4
     265.0       5.5
     266.0       7.5
     267.0       2.7
     268.0       2.0
     269.0       1.3
     271.0       1.5
     272.0       1.7
     273.0       2.8
     274.0       2.9
     275.0       3.2
     276.0       4.3
     277.0       3.8
     278.0       4.2
     279.0       2.4
     280.0       3.3
     281.0       1.5
     282.0       1.3
     284.0       1.2
     285.0       1.5
     286.0       1.5
     287.0       2.0
     288.0       2.1
     289.0       1.8
     290.0       2.4
     291.0       1.6
     292.0       2.1
     293.0       1.2
     294.0       1.6
     296.0       1.0
     297.0       1.0
     298.0       1.4
     299.0       1.4
     300.0       1.5
     301.0       1.5
     302.0       1.7
     303.0       1.3
     304.0       1.2
     305.0       1.0
     306.0       1.1
     308.0       1.1
     309.0       1.0
     310.0       1.1
     311.0       1.1
     312.0       1.4
     313.0       1.5
     314.0       1.5
     315.0       1.2
     316.0       1.2
     317.0       1.1
     322.0       1.0
     323.0       1.0
     324.0       1.2
     325.0       1.2
     326.0       1.6
     327.0       1.5
     328.0       1.4
     329.0       1.2
     331.0       1.2
     335.0       1.0
     336.0       1.3
     337.0       1.2
     338.0       1.4
     339.0       1.4
     340.0       1.6
     341.0       1.7
     342.0       1.3
     343.0       1.1
     345.0       1.4
     348.0       1.1
     349.0       1.2
     350.0       1.4
     351.0       1.2
     352.0       1.5
     353.0       1.7
     354.0       1.4
     355.0       1.6
     356.0       1.1
     357.0       1.1
     359.0       1.4
     360.0       1.2
     361.0       1.2
     362.0       1.5
     363.0       1.9
     364.0       1.5
     365.0       1.6
     366.0       1.4
     367.0       1.9
     368.0       1.2
     369.0       1.3
     370.0       1.0
     373.0       1.2
     374.0       1.2
     375.0       1.5
     376.0       1.7
     377.0       2.9
     378.0       2.0
     379.0       2.2
     380.0       2.0
     381.0       1.8
     382.0       1.0
     383.0       1.0
     387.0       1.3
     388.0       1.3
     389.0       2.1
     390.0       2.1
     391.0       3.9
     392.0       2.9
     393.0       3.9
     394.0       3.7
     395.0       1.9
     401.0       1.3
     402.0       1.3
     403.0       2.5
     404.0       2.4
     405.0       4.7
     406.0       3.9
     407.0       6.8
     408.0       7.2
     409.0       2.6
     413.0       1.2
     414.0       1.0
     415.0       1.5
     416.0       1.5
     417.0       2.6
     418.0       2.6
     419.0       4.9
     420.0       5.1
     421.0       9.6
     422.0      12.7
     423.0       4.3
     424.0       1.3
     427.0       1.4
     428.0       1.5
     429.0       1.9
     430.0       2.0
     431.0       2.4
     432.0       2.6
     433.0       4.9
     434.0       6.7
     435.0      10.4
     436.0      17.2
     437.0       5.8
     438.0       1.7
     439.0       1.2
     441.0       1.6
     442.0       2.1
     443.0       2.4
     444.0       3.1
     445.0       2.6
     446.0       3.1
     447.0       4.3
     448.0       7.7
     449.0       8.5
     450.0      17.8
     451.0       6.2
     452.0       2.0
     453.0       1.4
     454.0       1.8
     455.0       2.0
     456.0       2.6
     457.0       2.7
     458.0       4.1
     459.0       2.8
     460.0       3.3
     461.0       3.6
     462.0       7.2
     463.0       5.4
     464.0      13.3
     465.0       4.9
     466.0       2.1
     468.0       2.3
     469.0       2.1
     470.0       2.9
     471.0       2.7
     472.0       4.4
     473.0       2.6
     474.0       3.3
     475.0       2.6
     476.0       5.4
     477.0       2.7
     478.0       6.5
     479.0       3.0
     480.0       2.1
     482.0       2.7
     483.0       2.6
     484.0       2.8
     485.0       2.1
     486.0       3.7
     487.0       2.0
     488.0       2.4
     489.0       1.6
     490.0       2.9
     491.0       1.5
     492.0       2.1
     494.0       1.7
     495.0       1.8
     496.0       2.4
     497.0       2.6
     498.0       2.3
     499.0       1.9
     500.0       2.3
     501.0       1.4
     502.0       1.6
     503.0       1.2
     504.0       1.8
     506.0       1.3
     507.0       1.2
     508.0       1.5
     509.0       1.8
     510.0       1.8
     511.0       2.6
     512.0       1.7
     513.0       1.4
     514.0       1.3
     516.0       1.0
     518.0       1.2
     519.0       1.0
     521.0       1.0
     522.0       1.0
     523.0       1.5
     524.0       1.3
     525.0       1.8
     526.0       1.2
     537.0       1.1
     539.0       1.0

KBr disc