ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000733
RECORD_TITLE: 6-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$NAME: 6-ACETAMINOFLAVANONE
CH$NAME: 6-ACETAMIDO-2-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₅NO₃
CH$EXACT_MASS: 281.10519
CH$SMILES: CC(=O)Nc(c3)cc(C(=O)2)c(c3)OC(C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H15NO3/c1-11(19)18-13-7-8-16-14(9-13)15(20)10-17(21-16)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)
CH$LINK: INCHIKEY FXLWPUMMSQFKLQ-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$SPLASH: splash10-005i-4930000000-23c4a577433e859f7505
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 2.5 25
  28 12.2 122
  29 2.3 23
  31 0.26 3
  39 2.7 27
  41 2.1 21
  43 35.3 353
  45 0.32 3
  51 7.9 79
  52 8.8 88
  53 4.9 49
  77 1.18 12
  78 9.1 91
  79 22.8 228
  80 6.5 65
  91 0.25 3
  103 10.9 109
  104 8.8 88
  105 2.4 24
  106 0.53 5
  107 17 170
  108 2.5 25
  131 3 30
  134 1.4 14
  135 99.99 999
  136 9.9 99
  149 5.7 57
  162 0.31 3
  177 72.8 728
  178 9.3 93
  204 8.6 86
  238 0.33 3
  239 5 50
  280 6.8 68
  281 81.6 816
  282 1.44 14
  283 2.7 27
//