ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000677
RECORD_TITLE: 6-ACETOXY-3',4'-DIMETHOXYFLAVANONE; 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$NAME: 6-ACETOXY-3',4'-DIMETHOXYFLAVANONE
CH$NAME: 6-ACETOXY-2-(3,4-DIMETHOXYPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₈O₆
CH$EXACT_MASS: 342.11034
CH$SMILES: CC(=O)Oc(c3)cc(C(=O)2)c(c3)OC(C2)c(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C19H18O6/c1-11(20)24-13-5-7-16-14(9-13)15(21)10-18(25-16)12-4-6-17(22-2)19(8-12)23-3/h4-9,18H,10H2,1-3H3
CH$LINK: INCHIKEY RELNJUQGCPEVRP-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$SPLASH: splash10-03dl-3903000000-21b947f99e6875b48ae3
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  42 1.5 15
  43 27.1 271
  44 1.6 16
  45 0.44 4
  51 3.7 37
  52 2.9 29
  53 3.5 35
  55 0.16 2
  60 2.3 23
  63 1.4 14
  65 1.7 17
  69 0.19 2
  77 7.2 72
  78 4.7 47
  79 3.6 36
  89 0.12 1
  91 6.8 68
  103 5.3 53
  107 3.2 32
  108 0.21 2
  121 5.7 57
  135 2.9 29
  136 7.2 72
  137 0.61 6
  138 2.6 26
  149 20.2 202
  150 2.3 23
  151 1.55 16
  152 4.7 47
  163 3.6 36
  164 99.99 999
  165 1.09 11
  269 1.6 16
  282 1.9 19
  283 1.3 13
  299 0.65 7
  300 31.8 318
  301 6 60
  342 27.1 271
  343 5.3 53
//