ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002291
RECORD_TITLE: 4-BROMOANILINE; 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$NAME: 4-BROMOANILINE
CH$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$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00di-9800000000-eb3b658f471df38453a9
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  42 1.5 15
  45 9.32 93
  46 3.43 34
  49 1.76 18
  50 5.28 53
  51 3.43 34
  52 8.21 82
  53 3.99 40
  54 1.46 15
  61 4.04 40
  62 5.76 58
  63 11.99 120
  64 8.51 85
  65 74.2 742
  66 8.03 80
  67 1.28 13
  75 2.14 21
  76 1.76 18
  78 2.7 27
  79 1.2 12
  80 1.2 12
  81 1.46 15
  85 8.51 85
  86 8.55 86
  90 2.88 29
  91 8.81 88
  92 60.06 601
  93 4.98 50
  107 4.72 47
  108 1.46 15
  114 1.11 11
  116 1.8 18
  117 1.54 15
  119 1.07 11
  143 2.75 28
  145 2.27 23
  157 1.59 16
  170 1.71 17
  171 99.99 999
  172 9.07 91
  173 96.81 968
  174 7.43 74
//
