ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008329
RECORD_TITLE: TETRACHLOROPHTHALIC ANHYDRIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: TETRACHLOROPHTHALIC ANHYDRIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈Cl₄O₃
CH$EXACT_MASS: 283.86015
CH$SMILES: O=c(o2)c(c(Cl)1)c(c(=O)2)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
CH$LINK: INCHIKEY AUHHYELHRWCWEZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7026102

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0006-2490000000-9e5606a5dbd2478484c1
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  35 1.73 17
  36 17.19 172
  44 1.38 14
  47 9.66 97
  48 1.56 16
  49 1.66 17
  53 4.46 45
  60 8.18 82
  68 7.46 75
  69 1.91 19
  71 40.77 408
  72 23.1 231
  73 7.48 75
  83 3.8 38
  85 3.73 37
  86 0.71 7
  87 2.1 21
  89 14.58 146
  90 13.1 131
  91 4.57 46
  95 7.28 73
  97 2 20
  103 1.31 13
  104 1.87 19
  106 27.63 276
  107 74.47 745
  108 21.02 210
  109 14.53 145
  118 10.48 105
  120 13.31 133
  121 9.01 90
  122 4.74 47
  130 2.23 22
  132 1.08 11
  135 4.05 41
  137 0.52 5
  142 49.56 496
  143 4.4 44
  144 30.47 305
  145 2.03 20
  146 5.06 51
  177 23.1 231
  178 1.21 12
  179 22.81 228
  180 1.11 11
  181 7.32 73
  205 2.55 26
  207 2.45 25
  212 58.62 586
  213 3.64 36
  214 75.09 751
  215 5.19 52
  216 37.93 379
  217 2.52 25
  218 8.14 81
  240 79.86 799
  241 6.23 62
  242 99.99 999
  243 7.61 76
  244 47.91 479
  245 3.67 37
  246 11.04 110
  247 0.39 4
  284 48.45 485
  285 4.09 41
  286 61.37 614
  287 5.64 56
  288 30.85 309
  289 2.57 26
  290 6.26 63
//