ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000720
RECORD_TITLE: 6,7-DIMETHYL-3',4'-METHYLENEDIOXYFLAVANONE; 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$NAME: 6,7-DIMETHYL-3',4'-METHYLENEDIOXYFLAVANONE
CH$NAME: 6,7-DIMETHYL-2-(3,4-METHYLENEDIOXYPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₆O₄
CH$EXACT_MASS: 296.10486
CH$SMILES: Cc(c(C)4)cc(O1)c(c4)C(=O)CC1c(c2)cc(O3)c(OC3)c2
CH$IUPAC: InChI=1S/C18H16O4/c1-10-5-13-14(19)8-16(22-17(13)6-11(10)2)12-3-4-15-18(7-12)21-9-20-15/h3-7,16H,8-9H2,1-2H3
CH$LINK: INCHIKEY TZRLTMJHLNNTSE-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$SPLASH: splash10-0002-2950000000-330b492edce923c98f0e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39 2.4 24
  51 2.3 23
  63 2.8 28
  65 0.35 4
  89 9.1 91
  90 2.1 21
  91 16.7 167
  92 0.23 2
  119 2 20
  120 3.2 32
  122 2 20
  135 1.87 19
  147 26.8 268
  148 99.99 999
  149 24.8 248
  175 0.69 7
  295 16.7 167
  296 67.1 671
  297 11.8 118
//