ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000684
RECORD_TITLE: 7-ACETOAMINOFLAVANONE; 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$NAME: 7-ACETOAMINOFLAVANONE
CH$NAME: 7-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(O1)c(c3)C(=O)CC(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C17H15NO3/c1-11(19)18-13-7-8-14-15(20)10-16(21-17(14)9-13)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,18,19)
CH$LINK: INCHIKEY ZPDRCBYTTWCYMW-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$SPLASH: splash10-0f8l-7970000000-0c2b5bc8463b910f33b3
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  27 4.8 48
  28 21.4 214
  39 7.5 75
  41 0.45 5
  42 2.4 24
  43 98.9 989
  44 2.3 23
  45 0.34 3
  50 4.1 41
  51 16.1 161
  52 11.7 117
  53 0.55 6
  55 2 20
  57 2.5 25
  63 7.5 75
  65 0.43 4
  68 4.1 41
  76 3.6 36
  77 23.3 233
  78 1.95 20
  79 21.8 218
  80 8.5 85
  91 8 80
  102 0.52 5
  103 23.2 232
  104 34.1 341
  105 6.4 64
  106 0.36 4
  107 24.5 245
  108 5.1 51
  109 3.2 32
  115 0.2 2
  121 3.4 34
  131 7.6 76
  135 94.3 943
  136 3.52 35
  137 3.7 37
  149 17.8 178
  161 4.9 49
  162 2.26 23
  163 3.7 37
  165 3.7 37
  177 43.2 432
  178 1.36 14
  193 2.2 22
  196 2.4 24
  204 63.6 636
  205 0.7 7
  210 4.3 43
  211 7.8 78
  222 3.7 37
  238 1.28 13
  239 8 80
  264 4 40
  280 43.2 432
  281 99.99 999
  282 16.2 162
  283 2.4 24
//