ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001416
RECORD_TITLE: 2,3-DICHLORO-5,6-DICYANO-P-BENZOQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 2,3-DICHLORO-5,6-DICYANO-P-BENZOQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈Cl₂N₂O₂
CH$EXACT_MASS: 225.93368
CH$SMILES: N#Cc(c(=O)1)c(C#N)c(=O)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13
CH$LINK: INCHIKEY HZNVUJQVZSTENZ-UHFFFAOYSA-N

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-1490000000-fc79b76ded251a015a21
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  57 1 10
  71 1.7 17
  76 4.2 42
  85 0.18 2
  87 16.7 167
  89 5.6 56
  94 5.3 53
  95 0.14 1
  96 3.3 33
  97 1.7 17
  104 4.5 45
  111 0.33 3
  122 23.2 232
  124 14.2 142
  126 1.6 16
  129 0.3 3
  135 4.6 46
  136 1 10
  137 4.6 46
  150 0.41 4
  152 1 10
  163 7.5 75
  165 3 30
  170 6.9 69
  171 5.6 56
  172 46 460
  173 4.9 49
  174 0.78 8
  191 9.4 94
  192 2.5 25
  193 5.3 53
  198 3.77 38
  199 3.8 38
  200 40.2 402
  226 99.99 999
  227 1.02 10
  228 98.5 985
  229 10.5 105
  230 33.3 333
  231 0.28 3
  232 3.5 35
//