ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000708
RECORD_TITLE: 7-METHOXYISOFLAVONE; 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$NAME: 7-METHOXYISOFLAVONE
CH$NAME: 7-METHOXY-3-PHENYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12O3
CH$EXACT_MASS: 252.07864
CH$SMILES: COc(c3)cc(O2)c(c3)C(=O)C(=C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H12O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-10H,1H3
CH$LINK: INCHIKEY IECSQLKWZBEUGA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00348530
AC$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: splash10-0udi-8980000000-38065c777b609cf74be5
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 2.3 23
  28 51.9 519
  29 2 20
  32 1.6 16
  39 6 60
  41 2.1 21
  51 10.4 104
  52 0.27 3
  53 2.2 22
  63 12.1 121
  65 2.4 24
  69 0.37 4
  74 3 30
  75 3.7 37
  76 7.2 72
  77 0.31 3
  79 14.6 146
  82 2.8 28
  91 2.2 22
  92 0.65 7
  94 4 40
  102 10.9 109
  107 19.2 192
  120 0.55 6
  122 31.4 314
  123 2.3 23
  126 8.4 84
  149 0.47 5
  150 46.2 462
  151 7.2 72
  152 9.5 95
  153 0.24 2
  208 3.3 33
  209 3.8 38
  251 99.99 999
  252 9.29 93
  253 15 150
//
