ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000683
RECORD_TITLE: 3'-AMINOFLAVANONE; 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$NAME: 3'-AMINOFLAVANONE
CH$NAME: 2-(3-AMINOPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₃NO₂
CH$EXACT_MASS: 239.09463
CH$SMILES: Nc(c3)cc(cc3)C(C1)Oc(c2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C15H13NO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15H,9,16H2
CH$LINK: INCHIKEY BXYQSMKNOOKDIR-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$SPLASH: splash10-014r-7950000000-1c2da19391640bb3b70f
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  28 40.1 401
  32 17.3 173
  38 3.1 31
  39 1.06 11
  50 2.4 24
  51 4.3 43
  52 2.7 27
  63 0.88 9
  64 8 80
  65 14.1 141
  66 3 30
  77 0.39 4
  78 3.8 38
  89 2.6 26
  90 2.2 22
  91 1.28 13
  92 15.9 159
  93 13.1 131
  98.5 3 30
  104 0.23 2
  106 4.3 43
  117 6.1 61
  118 19.7 197
  119 99.99 999
  120 15.9 159
  121 9.3 93
  147 10 100
  152 0.21 2
  210 2.9 29
  220 2.2 22
  221 7.7 77
  222 0.33 3
  223 4.4 44
  238 13.6 136
  239 53.7 537
  240 8.7 87
//