ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004692
RECORD_TITLE: PARA-BROMOTOLUENE; 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$NAME: PARA-BROMOTOLUENE
CH$NAME: 4-BROMOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇Br
CH$EXACT_MASS: 169.97311
CH$SMILES: Cc(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
CH$LINK: CAS 106-38-7
CH$LINK: INCHIKEY ZBTMRBYMKUEVEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7024661

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$SPLASH: splash10-00dl-8900000000-41a373afcd3528e9670d
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  44 1.89 19
  45 5.29 53
  50 4.95 50
  51 4.32 43
  61 1.79 18
  62 4.24 42
  63 9.98 100
  64 2.7 27
  65 17.47 175
  66 1.05 11
  74 1.42 14
  75 1.81 18
  76 1.02 10
  85 3.28 33
  86 3.4 34
  87 1.06 11
  89 11.65 117
  90 10.52 105
  91 99.99 999
  92 8.33 83
  169 13.29 133
  170 86.32 863
  171 19.87 199
  172 84.85 849
  173 6.86 69
//