ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006294
RECORD_TITLE: 2,4'-DIBROMOACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2,4'-DIBROMOACETOPHENONE
CH$NAME: 4'-BROMOPHENACYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H6Br2O
CH$EXACT_MASS: 275.87854
CH$SMILES: BrCC(=O)c(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
CH$LINK: CAS 99-73-0
CH$LINK: INCHIKEY FKJSFKCZZIXQIP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059201
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0kd3-9500000000-202189ff7d67a8b35f04
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  13 1.76 18
  14 9.88 99
  15 1.69 17
  25 0.84 8
  26 4.51 45
  27 4.29 43
  28 2.53 25
  29 2.72 27
  32 0.67 7
  36 0.92 9
  37 8.96 90
  38 12.9 129
  39 9.55 96
  40 1.14 11
  41 2.81 28
  42 28.61 286
  43 2.57 26
  44 0.62 6
  45 1.06 11
  48 0.6 6
  49 6.65 67
  50 61.26 613
  51 13.5 135
  52 1.53 15
  53 1.53 15
  60 1.02 10
  61 6.72 67
  62 10.87 109
  63 19.18 192
  64 4.68 47
  72 0.52 5
  73 7.91 79
  74 34.73 347
  75 44.35 444
  76 40.48 405
  77 4.08 41
  79 13.2 132
  80 2.94 29
  81 13.53 135
  82 2.88 29
  84 0.52 5
  85 1.71 17
  86 2.56 26
  87 2.26 23
  88 1.29 13
  89 20.89 209
  90 24.62 246
  91 2.25 23
  92 1.88 19
  93 19.96 200
  94 2.13 21
  95 18.52 185
  96 1.61 16
  98 1.01 10
  104 5.55 56
  106 0.75 8
  107 0.69 7
  117 1.23 12
  118 0.87 9
  119 1.13 11
  121 0.93 9
  123 0.85 9
  128 0.67 7
  129 1.6 16
  130 0.7 7
  131 1.65 17
  143 0.72 7
  145 0.54 5
  154 0.57 6
  155 29.11 291
  156 2.53 25
  157 28.75 288
  158 1.97 20
  169 12.7 127
  170 1.05 11
  171 12.04 120
  183 99.99 999
  184 7.89 79
  185 95.79 958
  186 7.33 73
  236 0.61 6
  276 4.16 42
  278 8.18 82
  279 0.8 8
  280 4.01 40
//
