ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000647
RECORD_TITLE: 2'-METHOXY-6,8-DIMETHYLFLAVONOL; 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$NAME: 2'-METHOXY-6,8-DIMETHYLFLAVONOL
CH$NAME: 3-HYDROXY-2-(2-METHOXYPHENYL)-6,8-DIMETHYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H16O4
CH$EXACT_MASS: 296.10486
CH$SMILES: COc(c3)c(ccc3)C(O1)=C(O)C(=O)c(c2)c(c(C)cc(C)2)1
CH$IUPAC: InChI=1S/C18H16O4/c1-10-8-11(2)17-13(9-10)15(19)16(20)18(22-17)12-6-4-5-7-14(12)21-3/h4-9,20H,1-3H3
CH$LINK: INCHIKEY CKYROZVHVFINGB-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0002-2970000000-59cda4f685de3248d4bc
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  39 3.7 37
  51 6.3 63
  63 3.2 32
  65 0.79 8
  76 2.5 25
  77 19.2 192
  78 3.6 36
  89 0.38 4
  91 23.2 232
  92 5 50
  93 2.5 25
  103 0.36 4
  104 3.8 38
  105 7 70
  118 8.2 82
  119 1.29 13
  120 7.1 71
  121 6.2 62
  122 2.9 29
  123 0.56 6
  133 5.5 55
  135 3.7 37
  145 4.3 43
  146 2.54 25
  147 12.9 129
  148 19.2 192
  149 99.99 999
  150 2.14 21
  151 33.5 335
  152 3.6 36
  165 3.2 32
  181 0.23 2
  249 13.8 138
  250 6.5 65
  265 46.9 469
  266 0.8 8
  267 11.2 112
  281 3.7 37
  296 98.7 987
  297 20.1 201
//
