ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000648
RECORD_TITLE: 6,8-DIMETHYL-3',4'-METHYLENEDIOXYFLAVONOL; 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$NAME: 6,8-DIMETHYL-3',4'-METHYLENEDIOXYFLAVONOL
CH$NAME: 3-HYDROXY-6,8-DIMETHYL-2-(3,4-METHYLENEDIOXYPHENYL)-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₄O₅
CH$EXACT_MASS: 310.08412
CH$SMILES: Cc(c4)cc(C(=O)3)c(c(C)4)OC(=C(O)3)c(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C18H14O5/c1-9-5-10(2)17-12(6-9)15(19)16(20)18(23-17)11-3-4-13-14(7-11)22-8-21-13/h3-7,20H,8H2,1-2H3
CH$LINK: INCHIKEY RXMMWEZQTMBQMX-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$SPLASH: splash10-03di-1109000000-5be5eb76c8d8556f4c23
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  63 2.3 23
  65 4.7 47
  76 2.9 29
  77 0.45 5
  91 8.1 81
  119 3.8 38
  120 3.8 38
  126 0.49 5
  133 2.1 21
  140 11.1 111
  149 14.2 142
  162 0.51 5
  224 5.2 52
  253 3.6 36
  281 4.2 42
  282 0.83 8
  309 34 340
  310 99.99 999
  311 28.9 289
  312 2.9 29
//