ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000726
RECORD_TITLE: 4-HYDROXY-3,3',4',7-TETRAMETHOXYFLAVAN; 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$NAME: 4-HYDROXY-3,3',4',7-TETRAMETHOXYFLAVAN
CH$NAME: 4-HYDROXY-3,7-DIMETHOXY-2-(3,4-DIMETHOXYPHENYL)CHROMAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H22O6
CH$EXACT_MASS: 346.14164
CH$SMILES: COc(c3)cc(O1)c(c3)C(O)C(OC)C1c(c2)cc(OC)c(OC)c2
CH$IUPAC: InChI=1S/C19H22O6/c1-21-12-6-7-13-15(10-12)25-18(19(24-4)17(13)20)11-5-8-14(22-2)16(9-11)23-3/h5-10,17-20H,1-4H3
CH$LINK: INCHIKEY UKFZSRVPMBFEQX-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$SPLASH: splash10-0006-1900000000-b51d0f7a5732d0814076
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  39 2.9 29
  41 1.1 11
  45 1 10
  51 0.25 3
  52 1.1 11
  53 1.8 18
  55 1.2 12
  63 0.2 2
  64 1.1 11
  65 4.4 44
  69 1.5 15
  77 0.52 5
  78 2.6 26
  79 2.1 21
  89 1.2 12
  91 0.59 6
  92 1.9 19
  93 1.2 12
  95 2.1 21
  105 0.24 2
  106 2.1 21
  107 2.9 29
  108 2.5 25
  118 0.11 1
  119 2.6 26
  121 2.8 28
  133 1.7 17
  135 0.21 2
  136 1.9 19
  137 1 10
  148 2.4 24
  149 0.32 3
  151 21.8 218
  152 5.3 53
  163 1.5 15
  165 0.16 2
  179 26.9 269
  180 4.1 41
  194 99.99 999
  195 1.45 15
  196 1.5 15
  346 5 50
  347 1 10
//
