MassBank Record: JP006757

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O-BROMOPHENOL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP006757
RECORD_TITLE: O-BROMOPHENOL; 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$NAME: O-BROMOPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5BrO
CH$EXACT_MASS: 171.95238000000000511136022396385669708251953125
CH$SMILES: Oc(c1)c(Br)ccc1
CH$IUPAC: InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
CH$LINK: COMPTOX DTXSID8052641
CH$LINK: INCHIKEY VADKRMSMGWJZCF-UHFFFAOYSA-N

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$SPLASH: splash10-00di-9600000000-6c8d91ec2d8cd63d450f
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  40 4.6 46
  46 5.9 59
  49 5.3 53
  50 1.32 13
  51 4.8 48
  53 20.4 204
  54 2 20
  55 0.2 2
  60 3.1 31
  61 13.7 137
  62 22.6 226
  63 5.45 55
  64 55.2 552
  65 87.3 873
  66 11.2 112
  72 0.13 1
  73 3.6 36
  74 8.4 84
  75 4.3 43
  76 0.18 2
  77 1.3 13
  79 3.8 38
  80 2 20
  81 0.36 4
  82 1.8 18
  86 4.8 48
  87 4.8 48
  91 0.15 2
  92 15.5 155
  93 21.9 219
  94 2.3 23
  116 0.13 1
  117 5.6 56
  118 1.5 15
  119 5.1 51
  143 0.59 6
  144 2.3 23
  145 5.6 56
  146 2.3 23
  172 99.99 999
  173 11.2 112
  174 98.2 982
  175 10.7 107
//