ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005701
RECORD_TITLE: P-BENZOQUINONE DIOXIME; 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$NAME: P-BENZOQUINONE DIOXIME
CH$NAME: QUINONE DIOXIME
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O₂
CH$EXACT_MASS: 138.04293
CH$SMILES: ON=c(c1)ccc(=NO)c1
CH$IUPAC: InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,9-10H/b7-5-,8-6-
CH$LINK: CAS 105-11-3
CH$LINK: INCHIKEY LNHURPJLTHSVMU-SFECMWDFSA-N
CH$LINK: COMPTOX DTXSID8021222

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-000i-9800000000-0a69d710699e60bded5e
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  18 0.81 8
  26 2.42 24
  27 1.24 12
  28 2.18 22
  29 0.79 8
  30 4 40
  31 0.69 7
  37 1.86 19
  38 2.49 25
  39 5.72 57
  40 2.52 25
  41 1.18 12
  42 1.27 13
  43 1.29 13
  44 1.46 15
  50 3.15 32
  51 6.18 62
  52 16.53 165
  53 9.73 97
  54 1.14 11
  55 0.52 5
  61 1.41 14
  62 2.56 26
  63 8.47 85
  64 6.06 61
  65 4.67 47
  66 2.38 24
  67 0.96 10
  68 1.15 12
  69 0.96 10
  74 0.98 10
  75 1.07 11
  76 4.45 45
  77 4.65 47
  78 17.74 177
  79 3.12 31
  80 2.03 20
  81 0.9 9
  87 0.43 4
  88 0.75 8
  89 0.34 3
  90 5.95 60
  91 4.64 46
  92 1.95 20
  93 0.59 6
  94 0.46 5
  95 2.44 24
  103 2.66 27
  104 0.71 7
  106 1.19 12
  107 4.19 42
  108 6.05 61
  109 0.53 5
  121 0.81 8
  122 2.63 26
  123 1.84 18
  136 1.17 12
  137 0.88 9
  138 99.99 999
  139 10.11 101
  140 0.87 9
//