ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000649
RECORD_TITLE: 6,7-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$NAME: 6,7-DIMETHYL-3',4'-METHYLENEDIOXYFLAVONOL
CH$NAME: 3-HYDROXY-6,7-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(c(C)4)cc(O1)c(c4)C(=O)C(O)=C1c(c2)cc(O3)c(OC3)c2
CH$IUPAC: InChI=1S/C18H14O5/c1-9-5-12-14(6-10(9)2)23-18(17(20)16(12)19)11-3-4-13-15(7-11)22-8-21-13/h3-7,20H,8H2,1-2H3
CH$LINK: INCHIKEY PWMCXORTEBREOI-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$SPLASH: splash10-03di-1209000000-7dddb80fed1abb5886a1
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  63 2.5 25
  65 4.4 44
  76 2.6 26
  77 0.38 4
  91 7.8 78
  119 3.5 35
  120 3.4 34
  126 0.39 4
  140 9.6 96
  149 15.2 152
  162 4 40
  224 0.43 4
  253 2.4 24
  281 3.2 32
  282 6.2 62
  309 2.76 28
  310 99.99 999
  311 24.7 247
  312 2.3 23
//