4884-68-8

北美黄连碱分碱(4884-68-8)质谱(MS)

产品名称:北美黄连碱分碱

CAS:4884-68-8

分子式:C11H13NO3.ClH

分子量: 243.689

InChI:InChI=1S/C11H13NO3.ClH/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13;/h4-5,11,13H,2-3,6H2,1H3;1H

InChIKey: DLNQCQJCIITVHC-UHFFFAOYSA-N

Smiles:C12C(O)N(CCC1=CC1OCOC=1C=2)C.Cl

Mass

MS-NW-6981          
6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo(4,5-g)isoquinolin-5-ol hydrochloride
C11H13NO3 HCl       (Mass of molecular ion:    207)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       2.8
      18.0       2.5
      27.0       1.8
      28.0       1.5
      29.0       1.1
      35.0       3.7
      36.0      23.5
      37.0       1.3
      38.0       7.2
      39.0       5.9
      40.0       1.1
      41.0       2.3
      42.0      20.9
      43.0       1.1
      50.0       3.7
      51.0       6.0
      52.0       1.8
      53.0       1.6
      62.0       3.4
      63.0       6.6
      64.0       3.0
      65.0       5.1
      65.5       4.6
      66.0       1.5
      74.0       1.2
      75.0       1.4
      76.0       1.5
      77.0       5.8
      78.0       2.2
      79.0       1.2
      80.5       1.2
      86.0       1.0
      87.0       1.5
      87.5       1.0
      88.0       2.0
      89.0      12.5
      90.0       6.6
      91.0       7.7
      92.0       1.6
      93.5       3.4
      94.0       1.1
      94.5       7.7
      95.0       2.7
     102.0       1.6
     103.0       2.8
     104.0       1.0
     105.0       1.1
     115.0       2.3
     116.0       3.5
     117.0       3.2
     118.0       2.2
     119.0       1.9
     130.0       8.0
     131.0       4.5
     132.0       4.9
     133.0       1.0
     135.0       1.2
     146.0       1.0
     147.0      27.5
     148.0     100.0
     149.0      12.8
     150.0       1.2
     159.0       1.6
     160.0       3.9
     161.0       1.9
     162.0       4.9
     163.0       1.1
     172.0       4.2
     173.0       6.8
     174.0       2.3
     175.0       3.3
     176.0       2.8
     177.0       1.6
     188.0      55.2
     189.0      17.5
     190.0      83.3
     191.0      58.2
     192.0       7.2

400 MHz in DMSO-d6 at 50.C

¹H NMR	399.65 MHz
C₁₁ H₁₂ Cl N O₃	0.041 g : 0.5 ml DMSO-d₆ at 50 C
6-methyl-7,8-dihydro-1,3-dioxolo(4,5-g)isoquinolin-5(6H)-one hydrochloride

    Assign.     Shift(ppm)

      A             9.41
      B             7.431
      C             7.144
      D             6.236
      E             3.985
      F             3.731
      G             3.163

     Hz     ppm     Int.

   3759.61   9.408    121
   2970.12   7.432    376
   2855.38   7.145    257
   2492.52   6.237   1000
   1601.41   4.008     92
   1593.17   3.987    174
   1584.63   3.966    106
   1491.24   3.732    606
   1275.02   3.191    123
   1266.78   3.170    211
   1258.24   3.149    116

D2O

in DMSO-d6