ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000637
RECORD_TITLE: 3-ETHOXYMETHYLFLAVANONE; 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$NAME: 3-ETHOXYMETHYLFLAVANONE
CH$NAME: 3-ETHOXYMETHYL-2-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18O3
CH$EXACT_MASS: 282.12559
CH$SMILES: CCOCC(C(=O)2)C(Oc(c3)c(ccc3)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H18O3/c1-2-20-12-15-17(19)14-10-6-7-11-16(14)21-18(15)13-8-4-3-5-9-13/h3-11,15,18H,2,12H2,1H3
CH$LINK: INCHIKEY DYIDBRFSFOBDRS-UHFFFAOYSA-N
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$SPLASH: splash10-00di-6970000000-2af93fd2f8b2b06e1a86
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  27 5.1 51
  28 5.6 56
  29 10.6 106
  31 2.17 22
  39 5.7 57
  41 2.1 21
  51 4.7 47
  55 0.55 6
  59 37.4 374
  63 5.3 53
  64 5.3 53
  65 0.94 9
  69 2.1 21
  76 2.5 25
  77 17 170
  78 0.35 4
  79 3.6 36
  91 15.7 157
  92 16.1 161
  93 0.41 4
  102 2.9 29
  103 10.6 106
  104 3.2 32
  105 2.22 22
  115 17.4 174
  116 6.9 69
  117 21.3 213
  118 0.8 8
  120 17.4 174
  121 42.2 422
  131 4.9 49
  133 1.83 18
  134 2.7 27
  147 11.3 113
  148 17.4 174
  149 0.51 5
  161 13.9 139
  162 5.4 54
  175 2.1 21
  207 0.39 4
  210 4.7 47
  223 99.99 999
  224 18.3 183
  235 1.17 12
  236 9.4 94
  237 4.9 49
  238 3.6 36
  282 15.2 152
//
