ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000664
RECORD_TITLE: 4'-ACETOXY-5,7-DIMETHYLFLAVANONE; 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$NAME: 4'-ACETOXY-5,7-DIMETHYLFLAVANONE
CH$NAME: 2-(4-ACETOXYPHENYL)-5,7-DIMETHYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₈O₄
CH$EXACT_MASS: 310.12051
CH$SMILES: CC(=O)Oc(c3)ccc(c3)C(C1)Oc(c2)c(c(C)cc(C)2)C(=O)1
CH$IUPAC: InChI=1S/C19H18O4/c1-11-8-12(2)19-16(21)10-17(23-18(19)9-11)14-4-6-15(7-5-14)22-13(3)20/h4-9,17H,10H2,1-3H3
CH$LINK: INCHIKEY WNRAFEAHULVCKS-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$SPLASH: splash10-03ka-2912000000-9e6a74d24855084d41c3
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  39 3 30
  43 21.1 211
  65 6.9 69
  77 0.51 5
  91 28.3 283
  92 4.5 45
  107 10.9 109
  119 0.97 10
  120 62.2 622
  121 4.9 49
  148 99.99 999
  149 8.06 81
  150 5.6 56
  161 20 200
  162 29.4 294
  174 0.22 2
  175 6 60
  250 9 90
  251 3.1 31
  267 0.46 5
  268 18.9 189
  310 58.9 589
  311 10.3 103
//