ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000668
RECORD_TITLE: 4'-ACETOAMINO-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$NAME: 4'-ACETOAMINO-5,7-DIMETHYLFLAVANONE
CH$NAME: 2-(4-ACETAMIDOPHENYL)-5,7-DIMETHYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₉NO₃
CH$EXACT_MASS: 309.13649
CH$SMILES: CC(=O)Nc(c3)ccc(c3)C(C1)Oc(c2)c(c(C)cc(C)2)C(=O)1
CH$IUPAC: InChI=1S/C19H19NO3/c1-11-8-12(2)19-16(22)10-17(23-18(19)9-11)14-4-6-15(7-5-14)20-13(3)21/h4-9,17H,10H2,1-3H3,(H,20,21)
CH$LINK: INCHIKEY XXBMDLRCMGSQSQ-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$SPLASH: splash10-02td-1900000000-97be966ce05af2c4939a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39 2.8 28
  43 24.9 249
  51 2.1 21
  65 0.73 7
  77 6.3 63
  91 29 290
  92 5.6 56
  93 0.51 5
  106 23.2 232
  107 2.2 22
  117 3.4 34
  118 1.58 16
  119 99.99 999
  120 24.9 249
  148 94.6 946
  149 5.81 58
  150 4.4 44
  161 66.4 664
  162 7.2 72
  175 0.6 6
  224 2.2 22
  291 2 20
  308 5.6 56
  309 5.73 57
  310 10.8 108
//