ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000676
RECORD_TITLE: 6-BROMOFLAVANONE; 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$NAME: 6-BROMOFLAVANONE
CH$NAME: 6-BROMO-2-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₁BrO₂
CH$EXACT_MASS: 301.99424
CH$SMILES: c(c3)ccc(c3)C(C1)Oc(c2)c(cc(Br)c2)C(=O)1
CH$IUPAC: InChI=1S/C15H11BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2
CH$LINK: INCHIKEY XTTJSFMIDKNCOE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80414863

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$SPLASH: splash10-0udi-5913000000-2e9740ae0e0c93a9c98e
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  31 2 20
  32 5.9 59
  38 2.6 26
  39 1.07 11
  43 2.3 23
  45 2.2 22
  50 9.9 99
  51 2.4 24
  52 6.2 62
  53 4.8 48
  61 3.1 31
  62 1.49 15
  63 65.4 654
  64 6.7 67
  65 4.7 47
  69 0.54 5
  74 6.3 63
  75 8.6 86
  76 7.4 74
  77 3.58 36
  78 33.3 333
  79 2.3 23
  89 6.5 65
  91 1.14 11
  92 2.2 22
  102 8.5 85
  103 44.4 444
  104 99.99 999
  105 9.5 95
  119 2.8 28
  131 9.4 94
  142 0.53 5
  143 2.7 27
  144 5.1 51
  149 4.8 48
  152 0.27 3
  165 4 40
  170 25.7 257
  171 2.7 27
  172 2.56 26
  173 2.5 25
  198 81.5 815
  199 9.5 95
  200 7.78 78
  201 9.9 99
  223 5.4 54
  224 2.7 27
  225 2.48 25
  226 4.6 46
  227 23.3 233
  285 3.3 33
  287 0.27 3
  301 26.3 263
  302 50.6 506
  303 34.6 346
  304 4.81 48
  305 7.2 72
//