ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000651
RECORD_TITLE: 4',6,7-TRIMETHOXYFLAVONOL; 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$NAME: 4',6,7-TRIMETHOXYFLAVONOL
CH$NAME: 3-HYDROXY-6,7-DIMETHOXY-2-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H16O6
CH$EXACT_MASS: 328.09469
CH$SMILES: COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c2)c(cc(OC)c(OC)2)1
CH$IUPAC: InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)18-17(20)16(19)12-8-14(22-2)15(23-3)9-13(12)24-18/h4-9,20H,1-3H3
CH$LINK: INCHIKEY IOZLPDWMWQMTRB-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$SPLASH: splash10-004i-3309000000-152551b7aa763e746803
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  50 3.2 32
  51 5.7 57
  53 3.4 34
  63 0.4 4
  64 2.7 27
  65 2.4 24
  69 7.7 77
  76 0.39 4
  77 17.3 173
  78 2.2 22
  79 4.7 47
  92 1.02 10
  93 3.9 39
  105 3.1 31
  107 3.7 37
  119 0.23 2
  121 5.2 52
  135 29.4 294
  137 2.5 25
  164 0.45 5
  285 4.9 49
  313 12.8 128
  327 2.4 24
  328 99.99 999
  329 16 160
//
