ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009617
RECORD_TITLE: 4-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$NAME: 4-BROMOPHENYL METHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7BrO
CH$EXACT_MASS: 197.96803
CH$SMILES: CC(=O)c(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
CH$LINK: INCHIKEY WYECURVXVYPVAT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059203
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$SPLASH: splash10-0kar-2910000000-7a7c782921332a2533c2
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  37 1.2 12
  38 4.7 47
  39 1.5 15
  43 1.88 19
  44 1.3 13
  49 1 10
  50 16.1 161
  51 0.45 5
  52 2.3 23
  62 1.6 16
  63 2 20
  73 0.18 2
  74 8.2 82
  75 18.9 189
  76 17.8 178
  77 0.38 4
  78 1 10
  80 1 10
  82 1 10
  85 0.1 1
  86 1 10
  89 1.8 18
  90 1.7 17
  92 0.2 2
  93 2 20
  104 1.7 17
  155 36.1 361
  156 0.3 3
  157 35.1 351
  158 2.7 27
  183 99.99 999
  184 0.79 8
  185 96.2 962
  186 7.7 77
  198 46.8 468
  199 0.42 4
  200 45.7 457
  201 4 40
//
