磷酸伯氨喹(63-45-6)質(zhì)譜(MS)

分子式:C15H27N3O9P2

分子量: 455.34

InChI:InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)

InChIKey: GJOHLWZHWQUKAU-UHFFFAOYSA-N

Smiles:C1(NC(C)CCCN)=CC(=CC2=CC=CN=C12)OC.P(=O)(O)(O)O.P(=O)(O)(O)O

¹HNMR

IR1

IR2

Mass

MS-IW-1023          
8-(4-amino-1-methylbutylamino)-6-methoxyquinoline diphosphate
C15H21N3O 2H3O4P    (Mass of molecular ion:    259)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       2.0
      18.0      11.6
      28.0       2.1
      30.0       2.1
      41.0       1.5
      42.0       1.0
      43.0       3.3
      55.0       1.1
      57.0       1.3
      63.0       1.0
      70.0       8.2
      71.0       1.0
      77.0       1.2
      81.0       5.3
      83.0       1.0
      84.0       9.0
      85.0       1.1
      89.0       1.5
      98.0       4.0
      99.0       1.0
     100.0       1.0
     115.0       1.0
     116.0       2.4
     117.0       2.1
     128.0       1.1
     129.0       1.2
     130.0       2.7
     131.0       3.3
     132.0       1.4
     142.0       1.0
     143.0       1.3
     144.0       3.7
     145.0       6.6
     157.0       1.8
     158.0       5.5
     159.0      10.9
     160.0       4.6
     169.0       1.0
     173.0       2.0
     174.0      10.5
     175.0      28.2
     176.0      36.6
     177.0       4.2
     184.0       1.3
     185.0       3.5
     186.0      19.8
     187.0       8.7
     188.0       1.1
     199.0       4.0
     200.0       4.5
     201.0     100.0
     202.0      14.0
     203.0       1.2
     211.0       3.3
     213.0       1.5
     215.0       2.7
     227.0       2.4
     238.0       1.0
     241.0       6.2
     242.0      21.1
     243.0       3.7
     259.0      21.7
     260.0       3.9