ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006761
RECORD_TITLE: 3-BROMO-4,5-DIHYDROXYBENZALDEHYDE; 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$NAME: 3-BROMO-4,5-DIHYDROXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5BrO3
CH$EXACT_MASS: 215.94221
CH$SMILES: O=Cc(c1)cc(Br)c(O)c(O)1
CH$IUPAC: InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H
CH$LINK: INCHIKEY GVSGSHGXUXLQNS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30167711
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$SPLASH: splash10-014i-7390000000-2705a7c5c4800c265206
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  41 2.7 27
  43 7 70
  45 6.5 65
  46 1.67 17
  49 10.2 102
  50 31.7 317
  51 45.2 452
  52 2.15 22
  53 23.7 237
  54 6.5 65
  55 8.6 86
  58 0.22 2
  60 2.7 27
  61 10.8 108
  62 17.7 177
  63 1.61 16
  64 3.2 32
  65 2.2 22
  66 2.7 27
  67 0.22 2
  69 4.3 43
  73 2.2 22
  74 2.7 27
  75 0.22 2
  77 9.1 91
  78 4.8 48
  79 24.2 242
  80 1.08 11
  81 8.1 81
  82 2.2 22
  90 4.3 43
  91 0.27 3
  94 2.7 27
  95 2.7 27
  107 18.8 188
  108 1.51 15
  109 4.3 43
  117 2.2 22
  118 2.2 22
  119 0.22 2
  129 2.2 22
  130 2.2 22
  131 4.3 43
  133 0.32 3
  135 4.3 43
  137 2.7 27
  141 2.2 22
  149 0.27 3
  159 8.1 81
  160 2.2 22
  161 7 70
  169 0.2 2
  171 2 20
  187 20.4 204
  188 5.4 54
  189 1.94 19
  190 5.4 54
  215 99.99 999
  216 83.9 839
  217 9.68 97
  218 88.2 882
  219 15.6 156
  220 2.7 27
//
