MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000732
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000732
RECORD_TITLE: 5,7-DIMETHOXYISOFLAVONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 5,7-DIMETHOXYISOFLAVONE
CH$NAME: 5,7-DIMETHOXY-3-PHENYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H14O4
CH$EXACT_MASS: 282.08921
CH$SMILES: COc(c3)cc(O2)c(c(OC)3)C(=O)C(=C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H14O4/c1-19-12-8-14(20-2)16-15(9-12)21-10-13(17(16)18)11-6-4-3-5-7-11/h3-10H,1-2H3
CH$LINK: INCHIKEY
CDSSYLTXYXEANW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60425119
AC$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-4490000000-d226be6c9c9d0ea23924
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
31 2.7 27
32 5 50
39 9.5 95
41 0.66 7
43 3.9 39
44 3.1 31
50 5.8 58
51 0.79 8
52 2.7 27
53 5.5 55
55 4 40
57 0.56 6
59 6.1 61
62 6.9 69
63 12.3 123
64 0.27 3
66 3.2 32
69 14.4 144
74 3.5 35
75 0.45 5
76 11.5 115
77 6.5 65
78 4.5 45
79 0.65 7
81 3.7 37
89 5.5 55
90 6.1 61
91 0.39 4
102 14.4 144
107 6.5 65
109 7.4 74
122 1.47 15
137 20.2 202
139 4.8 48
141 13.5 135
149 1.98 20
150 25.6 256
151 6.5 65
152 14.5 145
153 0.26 3
180 4.7 47
204 3.2 32
207 3.9 39
221 0.27 3
235 3.7 37
236 28.7 287
237 6 60
251 3.18 32
252 7.4 74
253 25.8 258
254 3.2 32
264 0.63 6
265 7.9 79
281 46.8 468
282 99.99 999
283 17.6 176
//