ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000702
RECORD_TITLE: 4'-METHOXYFLAVONE; 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$NAME: 4'-METHOXYFLAVONE
CH$NAME: 2-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12O3
CH$EXACT_MASS: 252.07864
CH$SMILES: COc(c3)ccc(c3)C(=C1)Oc(c2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-10H,1H3
CH$LINK: INCHIKEY OMICQBVLCVRFGN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0063319
AC$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: splash10-0ue9-4790000000-ebaecdba720c77406977
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  39 4 40
  41 1.5 15
  50 2.5 25
  51 0.28 3
  57 1.2 12
  62 2.7 27
  63 11.8 118
  64 0.7 7
  65 1.1 11
  69 1.8 18
  74 1.9 19
  75 0.29 3
  76 3.4 34
  77 2.9 29
  89 18.6 186
  90 0.15 2
  91 1 10
  92 14 140
  93 1.1 11
  102 0.19 2
  112 6.5 65
  117 14.7 147
  118 1 10
  119 0.1 1
  120 6 60
  121 1.1 11
  132 68.9 689
  133 0.63 6
  149 5.5 55
  151 1.2 12
  152 5.1 51
  153 0.1 1
  165 1 10
  181 7.5 75
  209 10.3 103
  210 0.14 1
  221 5.2 52
  224 7 70
  237 4 40
  251 1.86 19
  252 99.99 999
  253 18 180
  254 1.6 16
//
