ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000658
RECORD_TITLE: 5,7-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$NAME: 5,7-DIMETHYL-3',4'-METHYLENEDIOXYFLAVANONE
CH$NAME: 5,7-DIMETHYL-2-(3,4-METHYLENEDIOXYPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₆O₄
CH$EXACT_MASS: 296.10486
CH$SMILES: Cc(c4)cc(O1)c(c(C)4)C(=O)CC1c(c2)cc(O3)c(OC3)c2
CH$IUPAC: InChI=1S/C18H16O4/c1-10-5-11(2)18-13(19)8-15(22-17(18)6-10)12-3-4-14-16(7-12)21-9-20-14/h3-7,15H,8-9H2,1-2H3
CH$LINK: INCHIKEY SPBSYOLNSKXKCE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101621217

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$SPLASH: splash10-0002-1930000000-fcec7753a370687931d1
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39 2.6 26
  51 2.3 23
  63 3.5 35
  65 0.31 3
  77 2.7 27
  89 10 100
  90 2.2 22
  91 1.47 15
  119 3.1 31
  120 4.1 41
  122 2 20
  135 5.63 56
  136 5.6 56
  147 26.9 269
  148 99.99 999
  149 2.24 22
  161 5.8 58
  295 3.2 32
  296 52.7 527
  297 9.3 93
//