ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011658
RECORD_TITLE: PYRAZINE-N,N'-DIOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PYRAZINE-N,N'-DIOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₄N₂O₂
CH$EXACT_MASS: 112.02728
CH$SMILES: [O-1][n+1](c1)cc[n+1]([O-1])c1
CH$IUPAC: InChI=1S/C4H4N2O2/c7-5-1-2-6(8)4-3-5/h1-4H
CH$LINK: INCHIKEY SXTKIFFXFIDYJF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10178926

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-03di-9700000000-d19bf49cbec3c7c1b51a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  16 2.17 22
  17 2.87 29
  25 1.15 12
  26 9.69 97
  27 3 30
  28 11.58 116
  29 8.93 89
  30 28.28 283
  37 1.19 12
  39 3.99 40
  40 9.29 93
  41 9.37 94
  42 1.23 12
  46 6.13 61
  51 2.57 26
  52 10.92 109
  53 3.48 35
  55 1.85 19
  56 2.54 25
  67 1.1 11
  68 1.09 11
  80 1.44 14
  85 1.45 15
  95 1.39 14
  96 6.96 70
  112 99.99 999
  113 12.41 124
//