ACCESSION: JP006758
RECORD_TITLE: M-BROMOBENZALDEHYDE; 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$NAME: M-BROMOBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅BrO
CH$EXACT_MASS: 183.95238
CH$SMILES: O=Cc(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H
CH$LINK: INCHIKEY SUISZCALMBHJQX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4027521

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$SPLASH: splash10-0f9i-9800000000-9a22906d6d0dae14e210
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  40 6.3 63
  43 1.5 15
  44 2.4 24
  45 0.15 2
  48 2.1 21
  49 14.2 142
  50 99.99 999
  51 5.6 56
  52 4.2 42
  53 4.2 42
  60 2.4 24
  61 0.72 7
  62 7.2 72
  63 4.5 45
  65 2.4 24
  72 0.21 2
  73 14.5 145
  74 48.5 485
  75 56 560
  76 5.87 59
  77 58.7 587
  78 5.4 54
  79 4.5 45
  80 0.15 2
  81 4.2 42
  82 1.5 15
  84 1.5 15
  85 0.24 2
  86 2.7 27
  87 1.5 15
  89 1.5 15
  91 0.12 1
  92 1.2 12
  93 1.2 12
  103 1.5 15
  104 0.48 5
  105 2.4 24
  106 1.5 15
  107 1.8 18
  116 0.12 1
  117 1.5 15
  118 1.2 12
  119 1.5 15
  128 0.18 2
  129 2.4 24
  130 1.8 18
  131 2.4 24
  155 4.76 48
  156 23.5 235
  157 45.8 458
  158 6.9 69
  183 7.83 78
  184 68.1 681
  185 80.1 801
  186 70.2 702
  187 6.6 66
//