6-糠氨基嘌呤(525-79-1)質(zhì)譜(MS)
InChI:InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKey: QANMHLXAZMSUEX-UHFFFAOYSA-N
Smiles:N1C2C(=NC=NC=2NCC2=CC=CO2)NC=1
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Mass
MS-NW-2018
6-(furfurylamino)purine
C10H9N5O (Mass of molecular ion: 215)
Source Temperature: 220 °C
Sample Temperature: 220 °C
Direct, 75 eV
18.0 3.3
26.0 1.9
27.0 17.0
28.0 21.6
29.0 1.9
30.0 2.1
38.0 3.0
39.0 6.6
40.0 2.8
41.0 3.5
42.0 1.3
43.0 1.8
50.0 2.3
51.0 5.7
52.0 6.4
53.0 28.7
54.0 5.1
55.0 1.1
65.0 4.0
66.0 7.7
67.0 4.6
68.0 6.0
69.0 2.3
70.0 1.0
78.0 1.8
79.0 1.7
80.0 3.6
81.0 63.0
82.0 3.7
92.0 4.4
93.0 12.2
94.0 3.6
95.0 1.1
96.0 15.6
98.5 1.5
105.0 1.5
106.0 1.1
107.0 1.1
108.0 10.7
119.0 11.4
120.0 10.3
121.0 3.8
132.0 1.4
133.0 1.0
134.0 1.8
135.0 15.9
136.0 2.6
146.0 1.4
148.0 1.7
158.0 1.3
159.0 5.8
160.0 17.9
161.0 2.8
171.0 2.4
172.0 1.7
184.0 1.6
185.0 1.9
186.0 58.0
187.0 11.5
188.0 1.3
196.0 1.9
197.0 1.3
198.0 3.5
213.0 1.6
214.0 12.6
215.0 100.0
216.0 12.8
90 MHz in CDCl3
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C10 H9 N5 O
|
0.036 g : 0.5 ml DMSO-d6
|
| 6-(furfurylamino)purine
|
 |
Assign. Shift(ppm)
A 8.248
B 8.143
C 8.0
D 7.552
E 6.37
F 6.27
G 4.791
|
Hz ppm Int.
738.75 8.249 879
729.31 8.144 1000
716.13 7.997 174
677.50 7.565 443
676.63 7.556 534
675.69 7.545 512
674.81 7.535 442
573.44 6.403 237
571.56 6.382 277
570.25 6.368 439
568.44 6.348 415
565.56 6.315 74
563.13 6.288 427
562.31 6.279 477
559.94 6.253 247
559.19 6.244 257
432.13 4.826 347
426.25 4.760 347
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| 1H NMR |
399.65 MHz |
| C10 H9 N5 O
|
saturated in DMSO-d6
|
| 6-(furfurylamino)purine
|
|
Assign. Shift(ppm)
A 13.0
B 8.23
C 8.10
D 7.55
E 6.37
F 6.370
G 6.25
J 4.73
|
Hz ppm Int.
5189.29 12.985 360
3290.04 8.233 576
3251.57 8.137 1000
3018.03 7.552 958
2545.65 6.370 882
2496.56 6.247 696
2496.19 6.246 695
1890.09 4.730 386