ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009579
RECORD_TITLE: 4-BROMOANILINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: 4-BROMOANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6BrN
CH$EXACT_MASS: 170.96836
CH$SMILES: Nc(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
CH$LINK: INCHIKEY WDFQBORIUYODSI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021867
AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-00di-9800000000-c60ed627997e6c6dd8cb
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  29 1.08 11
  31 3.59 36
  37 2.34 23
  38 4.99 50
  39 10.63 106
  41 3.53 35
  45 16.31 163
  46 2.62 26
  50 3.15 32
  51 1.63 16
  52 3.67 37
  57 1.2 12
  61 2.15 22
  62 3.46 35
  63 8.24 82
  64 5 50
  65 54.63 546
  66 5.29 53
  71 1.21 12
  74 1.45 15
  75 1.32 13
  85 7.62 76
  86 7.46 75
  90 1.98 20
  91 6.64 66
  92 59.78 598
  93 5.01 50
  117 1.1 11
  119 1.08 11
  143 1.93 19
  145 2.22 22
  149 2.6 26
  171 99.99 999
  172 7.79 78
  173 97.54 975
  174 6.89 69
//
