Primaquine diphosphate(63-45-6) MS
Molecular FormulaC15H27N3O9P2
Molecular Weight455.34
InChIInChI=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
SmilesC1(NC(C)CCCN)=CC(=CC2=CC=CN=C12)OC.P(=O)(O)(O)O.P(=O)(O)(O)O
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![](https://www.chemicalbook.com/Spectrum/63-45-6_MS.gif)
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