姜黃素(458-37-7)質(zhì)譜(MS)
InChI:InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N
Smiles:C1(/C=C/C(=O)CC(=O)/C=C/C2C=CC(O)=C(OC)C=2)C=CC(O)=C(OC)C=1
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Mass
MS-NW-0387
trans,trans-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
C21H20O6 (Mass of molecular ion: 368)
Source Temperature: 170 °C
Sample Temperature: 270 °C
Direct, 75 eV
15.0 1.3
18.0 1.7
27.0 1.4
28.0 2.6
39.0 5.5
41.0 1.9
43.0 1.8
50.0 2.3
51.0 7.5
52.0 4.6
53.0 2.9
54.0 1.0
55.0 4.1
62.0 1.6
63.0 5.6
64.0 1.9
65.0 6.5
66.0 1.0
67.0 1.0
69.0 5.8
75.0 1.5
76.0 2.1
77.0 12.2
78.0 9.1
79.0 2.9
81.0 1.1
88.0 1.1
89.0 16.1
90.0 3.0
91.0 10.0
92.0 1.5
94.0 1.5
95.0 1.1
101.0 1.9
102.0 3.1
103.0 7.8
104.0 1.5
105.0 5.6
106.0 4.6
107.0 7.2
108.0 1.4
109.0 1.7
110.0 2.0
115.0 3.7
116.0 1.0
117.0 15.7
118.0 5.7
119.0 6.1
120.0 3.3
121.0 1.5
122.0 1.7
123.0 1.4
124.0 3.7
127.0 1.2
128.0 1.0
130.0 2.7
131.0 17.4
132.0 3.8
133.0 4.5
134.0 8.6
135.0 13.0
136.0 5.2
137.0 38.8
138.0 5.3
139.0 3.8
140.0 1.1
143.0 3.0
144.0 1.7
145.0 32.3
146.0 7.4
147.0 18.0
148.0 6.6
149.0 12.4
150.0 28.3
151.0 6.0
152.0 1.3
154.0 1.9
155.0 1.0
159.0 6.4
160.0 5.3
161.0 6.3
162.0 3.8
163.0 6.2
164.0 7.0
165.0 1.7
168.0 2.3
169.0 1.1
170.0 1.6
171.0 1.1
173.0 2.2
174.0 5.5
175.0 10.7
176.0 8.6
177.0 100.0
178.0 15.1
179.0 3.4
184.0 1.9
185.0 1.0
187.0 1.7
188.0 1.2
189.0 2.1
190.0 41.4
191.0 33.2
192.0 6.1
193.0 1.2
201.0 2.8
202.0 3.3
203.0 4.8
204.0 3.7
205.0 1.2
206.0 1.3
207.0 1.1
211.0 1.2
213.0 1.1
214.0 1.5
215.0 1.1
216.0 1.8
217.0 15.6
218.0 4.7
219.0 3.3
226.0 4.7
227.0 2.6
230.0 1.3
231.0 3.9
232.0 14.0
233.0 2.5
242.0 1.9
243.0 1.0
244.0 6.8
245.0 2.6
259.0 1.5
270.0 3.2
271.0 2.5
272.0 15.7
273.0 2.9
298.0 2.4
307.0 1.5
319.0 2.6
320.0 4.8
321.0 2.0
322.0 2.3
325.0 1.0
326.0 1.6
333.0 1.8
335.0 4.1
336.0 1.4
337.0 1.1
338.0 4.3
339.0 2.1
340.0 2.0
349.0 4.8
350.0 34.1
351.0 10.7
352.0 2.3
367.0 1.7
368.0 36.9
369.0 8.7
370.0 2.1