橙皮素(520-33-2)質(zhì)譜(MS)
InChI:InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
InChIKey: AIONOLUJZLIMTK-AWEZNQCLSA-N
Smiles:[C@H]1(C2=CC=C(OC)C(O)=C2)OC2=CC(O)=CC(O)=C2C(=O)C1
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Mass
MS-IW-1785
(S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone
C16H14O6 (Mass of molecular ion: 302)
Source Temperature: 190 °C
Sample Temperature: 160 °C
Direct, 75 eV
39.0 2.8
41.0 1.2
43.0 1.2
50.0 1.3
51.0 2.5
52.0 1.4
53.0 2.0
55.0 2.4
63.0 1.2
65.0 1.4
67.0 1.1
69.0 6.0
77.0 4.8
78.0 2.7
79.0 2.1
89.0 1.7
91.0 1.4
96.0 2.3
107.0 6.5
108.0 1.0
111.0 1.9
121.0 1.0
123.0 2.5
124.0 9.8
130.0 4.2
134.0 1.2
135.0 25.6
136.0 3.4
137.0 70.6
138.0 6.3
149.0 2.0
150.0 45.3
151.0 6.7
152.0 4.4
153.0 31.0
154.0 2.5
177.0 1.3
178.0 2.5
179.0 15.1
180.0 1.5
216.0 1.5
217.0 1.6
231.0 1.5
259.0 5.1
271.0 1.2
274.0 1.7
284.0 3.4
285.0 5.8
286.0 2.6
287.0 2.1
300.0 1.2
301.0 24.0
302.0 100.0
303.0 17.6
304.0 2.7