ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000686
RECORD_TITLE: 3'-BROMOFLAVONOL; 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$NAME: 3'-BROMOFLAVONOL
CH$NAME: 2-(3-BROMOPHENYL)-3-HYDROXY-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H9BrO3
CH$EXACT_MASS: 315.97351
CH$SMILES: Brc(c3)cc(cc3)C(O1)=C(O)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C15H9BrO3/c16-10-5-3-4-9(8-10)15-14(18)13(17)11-6-1-2-7-12(11)19-15/h1-8,18H
CH$LINK: INCHIKEY FTMVUENCCJQCAB-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$SPLASH: splash10-014i-6419000000-2f450b84e089f9a0e289
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  38 3.7 37
  39 13.1 131
  50 28.1 281
  51 1.63 16
  53 4.7 47
  62 12 120
  63 23.6 236
  64 1.1 11
  65 10 100
  74 11.2 112
  75 21.4 214
  76 4.75 48
  77 31.9 319
  80 2.9 29
  87 5.4 54
  88 0.75 8
  89 16.3 163
  92 18.5 185
  93 5.8 58
  104 1.86 19
  105 17.5 175
  118.5 36.9 369
  119 6.3 63
  120 0.71 7
  121 10.8 108
  149 9.8 98
  151 7.1 71
  152 2.78 28
  153 11 110
  155 12 120
  157 11.5 115
  180 0.32 3
  181 25.8 258
  183 3.9 39
  185 3.1 31
  208 0.97 10
  209 30.2 302
  210 4.1 41
  237 29.7 297
  238 0.53 5
  288 2.9 29
  290 3.1 31
  315 47.5 475
  316 99.99 999
  317 64.4 644
  318 94.9 949
  319 15.3 153
//
