蘆薈甙(1415-73-2)質(zhì)譜(MS)
InChI:InChI=1/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/s3
InChIKey: AFHJQYHRLPMKHU-XHRVLHNONA-N
Smiles:[C@@]1([H])([C@H]2[C@H](O)[C@H]([C@H](O)[C@@H](CO)O2)O)C2C=CC=C(O)C=2C(=O)C2=C(O)C=C(CO)C=C12 |&1:0,2,3,5,6,8,r|
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Mass
MS-NW-8260
aloin
C21H22O9 (Mass of molecular ion: 418)
Source Temperature: 200 °C
Sample Temperature: 190 °C
Direct, 75 eV
14.0 2.5
15.0 17.2
26.0 2.5
27.0 9.7
28.0 15.3
29.0 21.8
30.0 4.5
31.0 47.5
32.0 6.2
33.0 3.0
36.0 3.4
38.0 2.1
39.0 12.7
40.0 1.9
41.0 6.6
42.0 14.0
43.0 100.0
44.0 34.1
45.0 24.4
46.0 3.0
47.0 1.9
50.0 2.1
51.0 6.2
52.0 1.9
53.0 4.9
54.0 1.9
55.0 12.5
56.0 7.9
57.0 9.9
58.0 3.2
59.0 3.2
60.0 23.5
61.0 24.4
62.0 3.6
63.0 7.1
64.0 2.3
65.0 9.0
66.0 2.1
67.0 4.5
68.0 2.3
69.0 5.8
70.0 1.9
71.0 5.8
72.0 6.9
73.0 13.8
74.0 5.8
75.0 3.4
76.0 4.1
77.0 8.6
78.0 2.8
79.0 3.4
80.0 1.0
81.0 2.5
82.0 2.1
83.0 1.9
84.0 1.7
85.0 5.1
86.0 1.9
87.0 3.8
88.0 2.5
89.0 5.8
90.0 3.0
91.0 16.4
92.0 2.5
93.0 1.5
94.0 3.2
95.0 4.3
96.0 1.2
97.0 2.3
98.0 1.9
99.0 1.7
101.0 4.1
102.0 3.8
103.0 3.8
104.0 1.2
105.0 3.8
106.0 1.0
107.0 8.4
108.0 1.2
109.0 1.9
110.0 1.2
111.0 1.2
113.0 1.5
114.0 1.9
115.0 6.6
116.0 1.9
117.0 2.1
118.0 4.7
119.0 11.4
120.0 16.1
121.0 3.6
122.0 1.2
123.0 1.5
124.0 1.2
125.0 1.0
126.0 2.1
127.0 3.4
128.0 3.4
129.0 1.9
131.0 2.8
133.0 1.0
134.0 1.2
135.0 1.9
136.0 1.5
137.0 1.9
139.0 4.1
140.0 1.5
141.0 3.4
142.0 1.0
144.0 1.0
145.0 3.2
146.0 1.7
147.0 9.9
148.0 1.9
149.0 1.7
150.0 2.8
151.0 6.6
152.0 8.4
153.0 4.7
154.0 1.0
155.0 1.0
157.0 1.0
159.0 1.0
160.0 1.0
161.0 2.5
162.0 1.2
163.0 19.2
164.0 18.7
165.0 6.6
166.0 1.7
168.0 1.9
169.0 2.3
171.0 1.0
173.0 3.8
174.0 3.6
175.0 4.1
176.0 2.8
177.0 2.8
178.0 1.5
179.0 2.3
180.0 1.9
181.0 6.4
182.0 2.1
185.0 1.7
187.0 2.3
188.0 1.5
189.0 2.1
190.0 7.1
191.0 1.9
193.0 1.2
197.0 8.4
198.0 3.4
199.0 2.1
200.0 1.2
201.0 2.1
202.0 6.6
203.0 11.4
204.0 5.3
205.0 2.5
209.0 1.9
210.0 10.7
211.0 3.8
213.0 1.0
214.0 3.6
215.0 4.3
216.0 2.1
217.0 2.3
218.0 1.5
219.0 3.6
221.0 2.1
222.0 1.0
223.0 1.9
224.0 1.0
225.0 6.6
226.0 8.2
227.0 11.4
228.0 4.1
229.0 1.7
230.0 3.2
231.0 2.8
232.0 5.6
233.0 2.8
234.0 2.1
238.0 11.0
239.0 5.1
240.0 4.3
241.0 2.1
242.0 1.5
243.0 1.5
244.0 3.4
245.0 32.6
246.0 9.0
247.0 1.9
248.0 1.0
249.0 1.2
250.0 4.3
251.0 3.4
252.0 6.0
253.0 1.7
254.0 1.2
255.0 8.4
256.0 50.3
257.0 12.3
258.0 3.0
259.0 1.2
261.0 3.0
262.0 5.6
263.0 2.1
264.0 1.0
267.0 1.0
268.0 1.0
269.0 5.3
270.0 2.8
271.0 1.0
272.0 3.4
273.0 3.6
274.0 2.8
275.0 1.0
276.0 1.0
280.0 10.1
281.0 2.8
282.0 1.0
284.0 1.9
285.0 4.5
286.0 3.0
287.0 1.5
290.0 2.3
291.0 2.3
292.0 1.9
298.0 5.3
299.0 1.5
304.0 6.2
305.0 1.2
327.0 1.0
340.0 4.3
341.0 1.0
358.0 2.1
376.0 5.8
377.0 1.2
394.0 1.2