蘇枋精(474-07-7)紅外圖譜(IR2)
InChI:InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2
InChIKey: UWHUTZOCTZJUKC-UHFFFAOYSA-N
Smiles:C12C3C=CC(O)=CC=3OCC1(O)CC1=CC(O)=C(O)C=C21
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Mass
MS-NW-0357
brazilin
C16H14O5 H2O (Mass of molecular ion: 286)
Source Temperature: 180 °C
Sample Temperature: 190 °C
Direct, 75 eV
18.0 3.3
27.0 1.5
28.0 1.9
29.0 1.1
39.0 4.7
41.0 1.1
43.0 3.0
50.0 1.6
51.0 4.7
52.0 1.1
53.0 1.5
55.0 4.1
62.0 1.3
63.0 4.5
64.0 1.7
65.0 3.0
69.0 3.8
69.5 1.2
70.0 1.0
74.0 1.2
75.0 2.7
75.5 1.2
76.0 6.0
76.5 1.3
77.0 5.5
78.0 1.4
79.0 1.2
81.0 1.2
81.5 1.2
82.0 2.6
82.5 2.2
83.0 1.0
84.0 2.3
87.0 1.1
88.0 2.4
89.0 2.5
90.0 1.4
90.5 2.4
91.0 2.9
92.0 1.3
93.0 1.2
95.0 1.0
96.0 1.3
97.0 2.4
98.5 2.4
99.0 1.5
101.0 1.7
102.0 2.9
103.0 2.1
105.0 2.7
107.0 3.1
110.0 2.9
110.5 3.5
111.0 10.3
111.5 1.5
113.0 1.5
114.0 1.2
115.0 4.1
119.0 2.0
120.0 1.4
121.0 1.4
121.5 1.0
122.0 1.1
123.0 9.4
124.0 1.7
125.0 3.8
126.0 1.4
127.0 2.3
128.0 2.2
129.0 1.1
130.0 1.9
131.0 3.4
134.0 11.3
134.5 1.9
135.0 3.8
136.0 1.9
137.0 3.5
139.0 3.2
141.0 2.0
147.0 8.0
148.0 7.9
149.0 2.6
150.0 2.5
151.0 3.3
152.0 4.2
153.0 2.2
155.0 1.6
157.0 1.1
159.0 1.7
160.0 1.8
161.0 1.2
162.0 2.6
163.0 7.2
164.0 3.1
165.0 3.3
168.0 1.6
169.0 1.7
171.0 1.0
173.0 2.0
175.0 5.4
176.0 9.8
177.0 4.6
181.0 3.2
183.0 1.2
184.0 1.3
185.0 1.1
187.0 1.3
197.0 4.5
198.0 1.6
199.0 1.5
200.0 1.3
201.0 1.1
202.0 1.0
209.0 1.0
210.0 1.5
211.0 2.9
212.0 1.0
213.0 2.1
214.0 1.0
215.0 1.8
221.0 2.7
222.0 1.6
223.0 1.6
226.0 2.5
227.0 4.0
228.0 1.1
229.0 26.9
230.0 4.1
237.0 1.2
238.0 1.1
239.0 5.7
240.0 2.4
241.0 4.0
242.0 2.1
243.0 6.7
244.0 1.4
250.0 2.8
251.0 7.5
252.0 1.6
253.0 1.6
255.0 1.5
256.0 1.8
257.0 4.3
258.0 5.8
259.0 1.0
266.0 1.5
267.0 44.7
268.0 50.7
269.0 18.3
270.0 3.4
271.0 1.7
285.0 9.8
286.0 100.0
287.0 17.5
288.0 2.7