ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000728
RECORD_TITLE: 2'-ACETAMINOFLAVANONE; 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$NAME: 2'-ACETAMINOFLAVANONE
CH$NAME: 2-(2-ACETAMIDOPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₅NO₃
CH$EXACT_MASS: 281.10519
CH$SMILES: CC(=O)Nc(c3)c(ccc3)C(C1)Oc(c2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C17H15NO3/c1-11(19)18-14-8-4-2-6-12(14)17-10-15(20)13-7-3-5-9-16(13)21-17/h2-9,17H,10H2,1H3,(H,18,19)
CH$LINK: INCHIKEY KGWSRYUPLPMQGY-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$SPLASH: splash10-00di-8970000000-e19f441d15607efe1631
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  32 14.7 147
  39 22.4 224
  43 71.1 711
  51 0.57 6
  63 9.7 97
  64 7.1 71
  65 39.5 395
  69 0.95 10
  77 6.4 64
  89 6.3 63
  90 7.9 79
  91 1.96 20
  92 16.8 168
  93 28.4 284
  117 20 200
  118 8.95 90
  119 59.2 592
  120 7.1 71
  121 99.99 999
  122 0.42 4
  128 4.7 47
  136 21.4 214
  146 15.5 155
  149 1.21 12
  160 6.2 62
  220 16.2 162
  221 43.4 434
  222 2.96 30
  223 69.7 697
  224 5.8 58
  238 32.2 322
  263 0.74 7
  281 29.6 296
  382.5 2.6 26
//