ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000661
RECORD_TITLE: 6,8-DIMETHYL-2'-METHOXYFLAVANONE; 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$NAME: 6,8-DIMETHYL-2'-METHOXYFLAVANONE
CH$NAME: 2-(2-METHOXYPHENYL)-6,8-DIMETHYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈O₃
CH$EXACT_MASS: 282.12559
CH$SMILES: COc(c3)c(ccc3)C(C1)Oc(c(C)2)c(cc(C)c2)C(=O)1
CH$IUPAC: InChI=1S/C18H18O3/c1-11-8-12(2)18-14(9-11)15(19)10-17(21-18)13-6-4-5-7-16(13)20-3/h4-9,17H,10H2,1-3H3
CH$LINK: INCHIKEY QMWLBAVBYOGPTM-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$SPLASH: splash10-001j-3950000000-1114495d0071275fbb21
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  32 4.2 42
  39 4.3 43
  41 2.1 21
  51 0.39 4
  63 2.4 24
  65 11.6 116
  77 7.7 77
  78 0.24 2
  89 2.7 27
  91 55.2 552
  92 6 60
  103 0.26 3
  105 3.8 38
  108 2.7 27
  119 32.8 328
  120 5.06 51
  121 9.5 95
  134 36.5 365
  135 3.1 31
  141 0.2 2
  147 2.7 27
  148 99.99 999
  149 23.7 237
  174 0.25 3
  175 11.6 116
  250 4.3 43
  251 26.6 266
  252 0.35 4
  267 2.3 23
  281 9.5 95
  282 81.7 817
  283 15.8 158
//