ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000650
RECORD_TITLE: 5,7-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$NAME: 5,7-DIMETHYL-3',4'-METHYLENEDIOXYFLAVONOL
CH$NAME: 3-HYDROXY-5,7-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(c4)cc(O1)c(c(C)4)C(=O)C(O)=C1c(c2)cc(O3)c(OC3)c2
CH$IUPAC: InChI=1S/C18H14O5/c1-9-5-10(2)15-14(6-9)23-18(17(20)16(15)19)11-3-4-12-13(7-11)22-8-21-12/h3-7,20H,8H2,1-2H3
CH$LINK: INCHIKEY RGZLZBBUYLAGAY-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$SPLASH: splash10-03di-0109000000-105883b44c9947170366
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  65 2 20
  77 2.8 28
  91 4.1 41
  104 0.2 2
  126 3.9 39
  140 7.6 76
  149 12.1 121
  224 0.52 5
  239 2.3 23
  281 3.4 34
  282 6.5 65
  309 1.08 11
  310 99.99 999
  311 23.7 237
  312 2.3 23
//