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MassBank Record: JP006755

P-BROMOACETOPHENONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP006755
RECORD_TITLE: P-BROMOACETOPHENONE; 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$NAME: P-BROMOACETOPHENONE
CH$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$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-00bc-9200000000-22e349fcc994a54a2803
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  39 13 130
  40 3.3 33
  41 7.9 79
  42 0.79 8
  43 99.99 999
  44 3.8 38
  49 12.1 121
  50 8.67 87
  51 22.1 221
  52 4.6 46
  53 5 50
  54 0.29 3
  55 4.6 46
  60 2.9 29
  61 6.3 63
  62 0.92 9
  63 12.5 125
  64 4.6 46
  65 4.6 46
  73 0.83 8
  74 80 800
  75 74.2 742
  76 80.4 804
  77 1.21 12
  78 3.3 33
  79 3.8 38
  89 7.9 79
  90 0.63 6
  91 7.1 71
  104 10.4 104
  105 4.2 42
  106 0.25 3
  107 2.9 29
  155 22.9 229
  156 4.2 42
  157 2.13 21
  158 3.8 38
  169 2.9 29
  171 2.9 29
  183 3.54 35
  184 5 50
  185 33.8 338
  186 4.9 49
  198 1.29 13
  199 3.3 33
  200 12.1 121
  201 3.3 33
//

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