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
//