ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008240
RECORD_TITLE: 1,4-DINITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 1,4-DINITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H4N2O4
CH$EXACT_MASS: 168.01711
CH$SMILES: [O-1][N+1](=O)c(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
CH$LINK: CAS 100-25-4
CH$LINK: INCHIKEY FYFDQJRXFWGIBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021836
AC$INSTRUMENT: HITACHI M-60
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: splash10-00or-9300000000-fda1566d841a296c00aa
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  38 7.43 74
  39 8.33 83
  41 7.55 76
  44 2.73 27
  50 63.73 637
  51 4.58 46
  57 1.92 19
  62 3.81 38
  63 16.93 169
  64 24.66 247
  65 11.75 118
  73 4.33 43
  74 22.68 227
  75 79.64 796
  76 51.11 511
  77 3.95 40
  92 29.93 299
  108 3.23 32
  122 30.39 304
  138 7.85 79
  141 0.82 8
  142 0.71 7
  152 2.83 28
  168 77.63 776
  169 6.84 68
//
