ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011076
RECORD_TITLE: TETRACHLORO-1,2-BENZOQUINONE; 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$NAME: TETRACHLORO-1,2-BENZOQUINONE
CH$NAME: ORTHO-CHLORANIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆Cl₄O₂
CH$EXACT_MASS: 243.86524
CH$SMILES: O=c(c(=O)1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9
CH$LINK: CAS 2435-53-2
CH$LINK: INCHIKEY VRGCYEIGVVTZCC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90883844

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$SPLASH: splash10-000m-5490000000-5561c32427fd0bdfbbea
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  24 1.75 18
  35 6.48 65
  36 3.27 33
  37 1.99 20
  47 12.53 125
  48 3.14 31
  49 4.05 41
  52 4.5 45
  59 8.02 80
  60 2.17 22
  61 2.9 29
  63 4.34 43
  65 1.43 14
  71 4.68 47
  73 1.45 15
  83 8.59 86
  85 2.71 27
  87 99.99 999
  88 3.33 33
  89 32.04 320
  90 1.04 10
  95 3.62 36
  96 16.19 162
  97 1.22 12
  98 2.56 26
  106 1.79 18
  108 1.12 11
  111 3.88 39
  113 1.26 13
  118 19.93 199
  120 13.36 134
  122 9.62 96
  124 4.77 48
  130 1.39 14
  153 12.69 127
  155 12.29 123
  157 4.75 48
  159 1.13 11
  165 1.72 17
  167 1.6 16
  181 19.52 195
  182 1.13 11
  183 18.8 188
  184 1.08 11
  185 6.15 62
  188 23.7 237
  189 1.07 11
  190 30.73 307
  191 1.4 14
  192 15.02 150
  194 3.13 31
  209 42.53 425
  210 2.87 29
  211 40.74 407
  212 3.01 30
  213 13.29 133
  214 1.24 12
  215 1.54 15
  216 24.98 250
  217 1.4 14
  218 31.3 313
  219 1.7 17
  220 15.16 152
  222 3.27 33
  235 1.72 17
  237 2.76 28
  238 1.11 11
  239 1.82 18
  244 60.34 603
  245 4.23 42
  246 78.9 789
  247 5.41 54
  248 38.46 385
  249 2.71 27
  250 8.46 85
//