ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002919
RECORD_TITLE: 1,4-DINITRO BENZEN; 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$NAME: 1,4-DINITRO BENZEN
CH$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$LINK: INCHIKEY FYFDQJRXFWGIBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021836
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00pi-9200000000-a9211183459dedd66b36
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  17 4.1 41
  18 4.29 43
  28 2.77 28
  30 99.99 999
  38 7.43 74
  39 8.33 83
  41 7.55 76
  44 2.73 27
  50 63.73 637
  51 4.58 46
  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
  152 2.83 28
  168 77.63 776
  169 6.84 68
//
