ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000657
RECORD_TITLE: 5,7-DIMETHYL-3',4'-METHYLENEDIOXYFLAVONE; 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$NAME: 5,7-DIMETHYL-3',4'-METHYLENEDIOXYFLAVONE
CH$NAME: 5,7-DIMETHYL-2-(3,4-METHYLENEDIOXYPHENYL)-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₄O₄
CH$EXACT_MASS: 294.08921
CH$SMILES: Cc(c4)cc(O1)c(c(C)4)C(=O)C=C1c(c2)cc(O3)c(OC3)c2
CH$IUPAC: InChI=1S/C18H14O4/c1-10-5-11(2)18-13(19)8-15(22-17(18)6-10)12-3-4-14-16(7-12)21-9-20-14/h3-8H,9H2,1-2H3
CH$LINK: INCHIKEY IJEQRGAFOCRACT-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$SPLASH: splash10-0007-0590000000-9f2ff94da7868f14818b
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  39 2.3 23
  41 2.1 21
  65 2 20
  91 1.06 11
  119 3 30
  120 8.2 82
  125 2.2 22
  133 0.33 3
  145 11.4 114
  146 31.9 319
  147 6.8 68
  148 1.5 15
  149 16.9 169
  266 9.2 92
  293 8.6 86
  294 99.99 999
  295 26 260
  296 2.4 24
//