ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000178
RECORD_TITLE: META BROMOTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META BROMOTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇Br
CH$EXACT_MASS: 169.97311
CH$SMILES: Cc(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
CH$LINK: INCHIKEY WJIFKOVZNJTSGO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024659

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00dl-9400000000-b876c593bd891755fd6c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 1.54 15
  37 1.34 13
  38 3.34 33
  39 13.16 132
  41 2.54 25
  43 2.47 25
  44 2 20
  45 4.61 46
  50 6.01 60
  51 5.08 51
  61 2 20
  62 5.34 53
  63 13.23 132
  64 3.34 33
  65 31.6 316
  66 1.74 17
  89 12.69 127
  90 9.75 98
  91 99.99 999
  92 7.68 77
  169 4.48 45
  170 54.31 543
  171 8.35 84
  172 52.71 527
  173 3.87 39
//