51649-83-3

6-氨基荧光素(51649-83-3)质谱(MS)

分子式:C20H13NO5

分子量: 347.32

InChI:InChI=1S/C20H13NO5/c21-10-1-4-13-16(7-10)20(26-19(13)24)14-5-2-11(22)8-17(14)25-18-9-12(23)3-6-15(18)20/h1-9,22-23H,21H2

InChIKey: YOAWSYSKQHLFPM-UHFFFAOYSA-N

Smiles:C12(C3=C(C=C(O)C=C3)OC3=C1C=CC(O)=C3)C1=C(C=CC(N)=C1)C(=O)O2

Mass

MS-NW-2834          
6-aminofluorescein
C20H13NO5           (Mass of molecular ion:    347)

   Source Temperature: 250 °C
   Sample Temperature: 270 °C
   Direct, 75 eV

      17.0       2.0
      18.0      10.0
      27.0       1.5
      28.0       7.1
      29.0       1.3
      31.0       1.6
      32.0       1.0
      39.0       2.0
      41.0       1.8
      44.0       7.2
      51.0       1.9
      52.0       1.3
      62.0       1.5
      63.0       3.7
      64.0       1.9
      65.0       1.2
      69.0       1.8
      74.0       1.2
      75.0       1.9
      76.0       1.2
      77.0       1.2
      87.0       1.6
      88.0       2.3
      89.0       1.3
      91.0       5.7
      94.0       1.1
      94.5       2.9
      95.0       1.1
      95.5       1.4
     100.0       3.0
     100.5       1.1
     101.0       2.3
     102.0       1.5
     107.5       1.0
     108.5       3.3
     109.0       1.6
     110.0       1.2
     114.0       1.8
     114.5       1.2
     115.0       1.7
     119.0       4.1
     122.0       1.0
     123.0       1.5
     128.5       1.3
     129.0       2.0
     136.5       3.7
     137.0       3.7
     137.5       1.5
     139.0       1.1
     143.0       5.9
     143.5       1.6
     145.5       3.1
     150.0       1.2
     151.0      15.1
     151.5      11.7
     152.0       3.6
     154.0       1.0
     163.0       1.9
     165.0       1.1
     176.0       1.8
     187.0       1.2
     188.0       1.1
     189.0       4.6
     190.0       1.9
     191.0       1.1
     200.0       2.8
     201.0       2.3
     202.0       3.2
     203.0       1.4
     204.0       1.8
     213.0       3.8
     214.0       1.4
     216.0       1.5
     217.0       2.9
     218.0       1.7
     227.0       1.0
     228.0       1.5
     229.0       2.1
     244.0       2.1
     245.0       1.9
     246.0       2.2
     257.0       1.6
     258.0       4.6
     259.0       2.0
     272.0       1.3
     273.0       6.4
     274.0       8.0
     275.0       3.9
     285.0       2.3
     286.0      25.7
     287.0      49.2
     288.0      10.3
     289.0       1.6
     290.0       1.0
     301.0       3.3
     302.0      89.3
     303.0     100.0
     304.0      19.8
     305.0       2.8
     318.0       1.5
     331.0       1.1
     346.0       1.3
     347.0       2.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₀ H₁₃ N O₅	0.045 g : 0.5 ml DMSO-d₆
6-aminofluorescein

    Assign.     Shift(ppm)

      A            10.09
      B             7.592
      C             6.764
      D             6.68
      E             6.67
      F             6.605
      G             6.28
      J             6.128
     
     J(B,C)=8.4HZ
     J(C,J)=1.8HZ
     J(D,F)=8.8HZ
     J(E,F)=2.4HZ

     Hz     ppm     Int.

   4034.43  10.095    692
   3038.73   7.604    293
   3030.31   7.583    312
   2708.67   6.778    193
   2706.83   6.774    191
   2703.54   6.765     31
   2700.24   6.757    187
   2698.23   6.752    194
   2684.49   6.718     30
   2683.21   6.714     30
   2673.68   6.691    532
   2668.92   6.679    709
   2666.54   6.673    880
   2665.07   6.669   1000
   2660.13   6.657     46
   2659.03   6.654     40
   2658.66   6.653     42
   2658.30   6.652     41
   2656.83   6.648     34
   2655.91   6.646     37
   2655.18   6.644     34
   2654.82   6.643     34
   2654.45   6.642     33
   2644.37   6.617    500
   2641.99   6.611    403
   2638.51   6.603     47
   2635.58   6.595    293
   2633.38   6.590    281
   2511.21   6.284    371
   2450.22   6.131    327
   2448.39   6.127    323

in DMSO-d6