ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000680
RECORD_TITLE: 3',4'-DIMETHOXY-6-HYDROXYFLAVANONE; 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$NAME: 3',4'-DIMETHOXY-6-HYDROXYFLAVANONE
CH$NAME: 6-HYDROXY-2-(3,4-DIMETHOXYPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₆O₅
CH$EXACT_MASS: 300.09977
CH$SMILES: COc(c3)c(OC)cc(c3)C(C1)Oc(c2)c(cc(O)c2)C(=O)1
CH$IUPAC: InChI=1S/C17H16O5/c1-20-15-5-3-10(7-17(15)21-2)16-9-13(19)12-8-11(18)4-6-14(12)22-16/h3-8,16,18H,9H2,1-2H3
CH$LINK: INCHIKEY QRGSYHNTHPLRPD-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$SPLASH: splash10-03di-5900000000-e42fd0addb2b94318505
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  32 17.4 174
  39 3.9 39
  41 4.4 44
  43 0.24 2
  45 2.2 22
  51 7.6 76
  52 9.7 97
  53 0.39 4
  55 2.5 25
  57 2.9 29
  63 2.6 26
  65 0.3 3
  69 14.4 144
  77 10.4 104
  78 7.5 75
  79 0.28 3
  80 4.4 44
  89 2.2 22
  91 9 90
  93 0.18 2
  103 6.4 64
  108 3 30
  119 3 30
  121 0.72 7
  131 2.5 25
  136 6.9 69
  137 2.3 23
  138 0.21 2
  149 27 270
  150 4.2 42
  151 11.7 117
  163 0.38 4
  164 99.99 999
  165 10.3 103
  299 4.7 47
  300 3.8 38
  301 6.1 61
//