ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001669
RECORD_TITLE: 1-BROMO-4-NITROBENZENE; 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$NAME: 1-BROMO-4-NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄BrNO₂
CH$EXACT_MASS: 200.94254
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
CH$LINK: INCHIKEY ZDFBKZUDCQQKAC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060415

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$SPLASH: splash10-0zor-9830000000-cec91df0aa50e7e103d8
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 1.92 19
  30 16.46 165
  37 7.68 77
  38 10.42 104
  39 4.33 43
  49 4.88 49
  50 71.97 720
  51 8.78 88
  61 2.85 29
  62 3.24 32
  63 8.78 88
  64 6.64 66
  65 2.19 22
  73 7.13 71
  74 35 350
  75 99.99 999
  76 78.99 790
  77 5.6 56
  92 4.66 47
  117 2.19 22
  119 2.14 21
  129 2.63 26
  131 2.41 24
  143 30.17 302
  144 1.48 15
  145 29.51 295
  146 1.43 14
  155 71.48 715
  156 5.43 54
  157 69.28 693
  158 4.55 46
  171 53.21 532
  172 3.78 38
  173 52 520
  174 3.29 33
  185 3.29 33
  187 3.24 32
  201 66.26 663
  202 4.39 44
  203 64.34 643
  204 4.39 44
//