ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009706
RECORD_TITLE: CHLORANIL; 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$NAME: CHLORANIL
CH$NAME: 2,3,5,6-TETRACHLORO-1,4-BENZOQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆Cl₄O₂
CH$EXACT_MASS: 243.86524
CH$SMILES: O=c(c(Cl)1)c(Cl)c(Cl)c(=O)c(Cl)1
CH$IUPAC: InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
CH$LINK: INCHIKEY UGNWTBMOAKPKBL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020266

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$SPLASH: splash10-000e-2490000000-fba860c1004204e97a06
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  28 2.91 29
  36 2 20
  63 1.45 15
  84 5.54 55
  87 86.25 863
  88 3.26 33
  89 28.61 286
  94 14.05 141
  96 6.82 68
  118 13.13 131
  120 8.43 84
  122 10.26 103
  124 5.3 53
  126 1.09 11
  147 1.43 14
  149 1.17 12
  153 17.35 174
  154 1.97 20
  155 16.27 163
  156 1.64 16
  157 6.84 68
  175 1.39 14
  181 25.11 251
  182 2.61 26
  183 24.38 244
  184 2.44 24
  185 7.42 74
  186 1 10
  187 1 10
  188 29.41 294
  189 2.31 23
  190 38.72 387
  191 1.82 18
  192 19.24 192
  194 4.23 42
  209 65.19 652
  210 4.64 46
  211 64.28 643
  212 5.67 57
  213 20.81 208
  214 1.79 18
  215 2.32 23
  216 30.48 305
  217 1.94 19
  218 38.27 383
  219 2.05 21
  220 18.51 185
  221 1.29 13
  222 3.81 38
  244 71.68 717
  245 5.34 53
  246 99.99 999
  247 6.51 65
  248 54.77 548
  249 3.85 39
  250 13.89 139
  251 1.22 12
  252 1.69 17
//