ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006760
RECORD_TITLE: 3-BROMO-4-HYDROXYBENZALDEHYDE; 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$NAME: 3-BROMO-4-HYDROXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5BrO2
CH$EXACT_MASS: 199.94729
CH$SMILES: O=Cc(c1)cc(Br)c(O)c1
CH$IUPAC: InChI=1S/C7H5BrO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
CH$LINK: INCHIKEY UOTMHAOCAJROQF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30183890
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$SPLASH: splash10-0ik9-9110000000-cea8aa93d2789e15c768
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  40 3.9 39
  41 4.2 42
  42 4.2 42
  43 0.32 3
  44 1.6 16
  45 2.4 24
  46 3.6 36
  48 0.28 3
  49 12 120
  50 22 220
  51 10.5 105
  52 0.28 3
  53 47 470
  54 3.6 36
  55 3.2 32
  56 0.14 1
  57 1.7 17
  60 8 80
  61 36 360
  62 6 60
  63 99.99 999
  64 36 360
  65 36 360
  66 1.05 11
  67 2.8 28
  68 1.4 14
  69 1.7 17
  71.5 0.17 2
  72 1.7 17
  73 7.8 78
  74 1.8 18
  76 0.24 2
  77 9.5 95
  78 1.2 12
  79 10 100
  80 1.5 15
  81 10 100
  82 14 140
  83 1.4 14
  84 0.12 1
  85 1.7 17
  86 4.5 45
  87 3.6 36
  89 0.14 1
  90 4.7 47
  91 14 140
  92 33 330
  93 0.8 8
  94 1.7 17
  95 1.2 12
  104 1.7 17
  105 0.14 1
  106 1.4 14
  116 1.9 19
  117 6.2 62
  118 0.22 2
  119 8 80
  120 4.2 42
  121 5.3 53
  122 0.36 4
  131 1.4 14
  133 1.4 14
  141 1.9 19
  142 0.19 2
  143 13 130
  144 2.4 24
  145 12 120
  146 0.14 1
  149 2.4 24
  169 1.2 12
  170 2.2 22
  171 1.2 12
  172 6.1 61
  173 12 120
  174 2.8 28
  199 2.8 28
  200 32 320
  201 26 260
  202 30 300
  203 3.9 39
//
