ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009616
RECORD_TITLE: 3-BROMOPHENYL METHYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: 3-BROMOPHENYL METHYL KETONE
CH$NAME: 3-BROMOACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7BrO
CH$EXACT_MASS: 197.96803
CH$SMILES: CC(=O)c(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
CH$LINK: INCHIKEY JYAQYXOVOHJRCS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40870941
AC$INSTRUMENT: JEOL JMS-DX-300
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: splash10-0ufu-9200000000-845ebfd82ff68d4a413f
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  26 3 30
  27 4.3 43
  29 2.2 22
  37 0.72 7
  38 15.7 157
  39 13.2 132
  40 1 10
  41 0.12 1
  42 10.2 102
  43 93.9 939
  44 2.6 26
  49 0.78 8
  50 99.99 999
  51 28.2 282
  52 2.4 24
  53 0.26 3
  61 11.2 112
  62 12 120
  63 18.8 188
  64 0.37 4
  65 3.9 39
  73 9.1 91
  74 55.4 554
  75 7.96 80
  76 95.8 958
  77 17 170
  78 1 10
  79 0.48 5
  80 1.8 18
  81 4.9 49
  82 1.8 18
  85 0.17 2
  86 2.8 28
  87 2.4 24
  88 1.2 12
  89 1.1 11
  90 7 70
  91 8 80
  104 12.7 127
  105 0.18 2
  117 1 10
  129 2.2 22
  131 2.2 22
  155 4.44 44
  156 3.8 38
  157 42.3 423
  158 3.2 32
  183 5.38 54
  184 4 40
  185 51.5 515
  186 4 40
  198 1.89 19
  199 2 20
  200 18.6 186
  201 1.9 19
//
