ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003050
RECORD_TITLE: 1,2,4,4-TETRACHLOROBUTADIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,4,4-TETRACHLOROBUTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₂Cl₄
CH$EXACT_MASS: 189.89106
CH$SMILES: ClC=C(Cl)C=C(Cl)Cl
CH$IUPAC: InChI=1S/C4H2Cl4/c5-2-3(6)1-4(7)8/h1-2H/b3-2-
CH$LINK: INCHIKEY XTSDMNIRVUOODR-IHWYPQMZSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-4900000000-d7bb548845d7afb43381
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  24 0.7 7
  25 2.5 25
  26 2.9 29
  27 0.19 2
  35 5.6 56
  36 15.4 154
  37 9.6 96
  38 0.77 8
  39 1.9 19
  47 7.1 71
  48 3.8 38
  49 1.73 17
  50 23.1 231
  59 1.1 11
  60 13.5 135
  61 0.71 7
  62 4.8 48
  63 4 40
  77 8.2 82
  78 0.71 7
  79 2.9 29
  84 21.2 212
  85 19.3 193
  86 0.71 7
  87 5.8 58
  95 5.8 58
  96 5.8 58
  97 0.38 4
  98 1.9 19
  107 7.9 79
  109 7.1 71
  111 0.23 2
  117 2.7 27
  118 1.1 11
  119 46.2 462
  120 1.35 14
  121 30.8 308
  122 7.7 77
  123 6.1 61
  130 0.33 3
  132 3.1 31
  134 1.1 11
  143 4.4 44
  145 0.04 0
  147 1.3 13
  155 99.99 999
  156 5.5 55
  157 9.63 96
  158 4.8 48
  159 30.8 308
  160 1.5 15
  161 0.33 3
  189 1.3 13
  190 38.7 387
  191 3.4 34
  192 0.52 5
  193 2.9 29
  194 24.1 241
  195 1.3 13
  196 5 50
//