ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011273
RECORD_TITLE: META-BROMONITROBENZENE; 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$NAME: META-BROMONITROBENZENE
CH$NAME: 3-BROMONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄BrNO₂
CH$EXACT_MASS: 200.94254
CH$SMILES: [O-1][N+1](=O)c(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
CH$LINK: INCHIKEY FWIROFMBWVMWLB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060409

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0zi0-9540000000-24e842b46d470da10f15
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  26 1.81 18
  27 1.26 13
  30 62.11 621
  37 5.89 59
  38 8.96 90
  39 5.48 55
  40 1.1 11
  46 6.38 64
  49 3.74 37
  50 60 600
  51 9.45 95
  61 2.32 23
  62 3.12 31
  63 11.31 113
  64 7.58 76
  65 1.01 10
  69 3.66 37
  73 4.18 42
  74 26.09 261
  75 83.58 836
  76 86.1 861
  77 7.13 71
  79 1.29 13
  81 1.25 13
  90 2.52 25
  92 8.67 87
  117 1.71 17
  119 1.56 16
  129 1.96 20
  131 1.93 19
  143 24.68 247
  144 1.44 14
  145 23.79 238
  146 1.4 14
  155 67.26 673
  156 5.71 57
  157 64.95 650
  158 5.25 53
  169 1.03 10
  171 10.5 105
  172 1.2 12
  173 9.34 93
  185 13.69 137
  186 1.33 13
  188 1.31 13
  201 99.99 999
  202 9.55 96
  203 98.73 987
  204 9.2 92
//