苦杏仁苷(29883-15-6)核磁圖(1HNMR)
分子式:C20H27NO11
分子量: 457.43
InChI:InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2
InChIKey: XUCIJNAGGSZNQT-UHFFFAOYSA-N
Smiles:C1(OC(C2=CC=CC=C2)C#N)OC(C(O)C(O)C1O)COC1OC(C(O)C(O)C1O)CO
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Mass
MS-NW-2289
amygdalin
C20H27NO11 (Mass of molecular ion: 457)
Source Temperature: 220 °C
Sample Temperature: 180 °C
Direct, 75 eV
14.0 2.6
15.0 8.4
17.0 6.8
18.0 30.0
19.0 8.0
25.0 1.0
26.0 4.8
27.0 15.4
28.0 12.3
29.0 24.2
30.0 6.8
31.0 21.3
32.0 2.2
37.0 2.1
38.0 3.0
39.0 12.3
40.0 2.5
41.0 13.0
42.0 9.6
43.0 31.2
44.0 8.1
45.0 16.9
47.0 2.9
50.0 6.0
51.0 12.0
52.0 4.3
53.0 4.0
54.0 2.8
55.0 12.7
56.0 7.1
57.0 35.0
58.0 2.7
59.0 2.4
60.0 41.2
61.0 18.3
62.0 2.2
63.0 4.0
64.0 1.7
65.0 2.7
66.0 1.0
67.0 1.7
68.0 3.0
69.0 21.8
70.0 7.7
71.0 16.9
72.0 5.2
73.0 60.4
74.0 10.2
75.0 2.8
76.0 2.3
77.0 19.2
78.0 4.2
79.0 4.2
80.0 1.5
81.0 6.4
82.0 2.0
83.0 2.6
84.0 2.2
85.0 32.5
86.0 5.0
87.0 14.0
88.0 2.1
89.0 16.7
90.0 10.9
91.0 12.1
92.0 1.4
93.0 1.3
95.0 1.5
96.0 2.3
97.0 13.2
98.0 11.1
99.0 8.1
101.0 5.3
102.0 1.7
103.0 6.3
104.0 1.3
105.0 19.4
106.0 17.2
107.0 10.6
108.0 1.6
109.0 5.4
110.0 1.9
111.0 1.2
113.0 1.4
114.0 1.5
115.0 8.2
116.0 100.0
117.0 55.5
118.0 5.8
119.0 5.2
126.0 1.7
127.0 22.4
128.0 2.3
129.0 1.5
131.0 6.3
132.0 2.1
133.0 6.3
134.0 1.1
137.0 1.2
143.0 5.9
144.0 7.9
145.0 28.7
146.0 2.5
155.0 2.0
161.0 4.9
162.0 1.0
163.0 12.9
173.0 14.5
174.0 1.6
186.0 1.4
191.0 21.2
192.0 1.8
233.0 1.1
235.0 1.7
251.0 2.5
279.0 1.6
297.0 3.3
306.0 3.7
324.0 2.8