ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004793
RECORD_TITLE: 4-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$NAME: 4-BROMOPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅BrO
CH$EXACT_MASS: 171.95238
CH$SMILES: Oc(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
CH$LINK: CAS 106-41-2
CH$LINK: INCHIKEY GZFGOTFRPZRKDS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3051543

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00di-6900000000-bd0a78cdcabcc25baaa9
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  43 1.42 14
  46 6.29 63
  49 1.84 18
  50 6.04 60
  51 2.34 23
  53 5.28 53
  60 1.42 14
  61 5.28 53
  62 8.3 83
  63 17.86 179
  64 10.57 106
  65 55.28 553
  66 3.77 38
  74 2.93 29
  86 6.79 68
  87 6.29 63
  92 3.27 33
  93 34.73 347
  94 2.76 28
  117 2.34 23
  119 3.94 39
  143 9.22 92
  145 9.47 95
  171 6.62 66
  172 99.99 999
  173 12.5 125
  174 97.65 977
  175 6.79 68
//