ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011272
RECORD_TITLE: ORTHO-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$NAME: ORTHO-BROMONITROBENZENE
CH$NAME: 2-BROMONITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄BrNO₂
CH$EXACT_MASS: 200.94254
CH$SMILES: [O-1][N+1](=O)c(c1)c(Br)ccc1
CH$IUPAC: InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
CH$LINK: INCHIKEY ORPVVAKYSXQCJI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060364

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$SPLASH: splash10-0ufr-9520000000-e4a898e6627dc87eda3d
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  26 2.42 24
  27 2.74 27
  28 4.28 43
  29 1.62 16
  30 81.04 810
  37 6.97 70
  38 10.14 101
  39 11.03 110
  40 2.66 27
  46 6.02 60
  49 4.54 45
  50 72.12 721
  51 12.68 127
  52 1.33 13
  53 2.08 21
  61 2.26 23
  62 3.26 33
  63 16.35 164
  64 12.67 127
  65 1.3 13
  73 3.94 39
  74 24.81 248
  75 99.99 999
  76 92.89 929
  77 7.28 73
  78 3.97 40
  79 1.5 15
  81 1.44 14
  90 1.91 19
  92 17.07 171
  93 1.29 13
  94 1.88 19
  117 2.67 27
  119 2.53 25
  122 3.62 36
  129 2.43 24
  131 2.36 24
  143 44.12 441
  144 2.56 26
  145 42.5 425
  146 2.38 24
  155 54.19 542
  156 4.76 48
  157 52.8 528
  158 4.03 40
  171 28.38 284
  172 2.3 23
  173 27.49 275
  174 2.08 21
  185 10.03 100
  187 9.7 97
  201 76.52 765
  202 6.83 68
  203 74.38 744
  204 6.52 65
//