ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003051
RECORD_TITLE: 1,2,3,4-TETRACHLOROBUTANE; 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$NAME: 1,2,3,4-TETRACHLOROBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆Cl₄
CH$EXACT_MASS: 193.92236
CH$SMILES: ClCC(Cl)C(Cl)CCl
CH$IUPAC: InChI=1S/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2
CH$LINK: INCHIKEY IXZVKECRTHXEEW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90951198

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$SPLASH: splash10-08i0-9500000000-3a2f4fa479fa9f9aa99d
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  24 0.2 2
  25 1.5 15
  26 16.3 163
  27 4.42 44
  28 12.4 124
  29 5 50
  35 3.9 39
  36 0.83 8
  37 5.4 54
  38 7.8 78
  39 27.9 279
  40 0.14 1
  41 4 40
  42 1.4 14
  43 3.7 37
  44 0.48 5
  45 1.3 13
  46 0.3 3
  47 6.3 63
  48 0.43 4
  49 33.4 334
  50 16.1 161
  51 43.1 431
  52 0.52 5
  53 27.9 279
  54 6.4 64
  55 3.2 32
  59 0.27 3
  60 3.2 32
  61 33.3 333
  62 66.2 662
  63 1.61 16
  64 21 210
  65 1.9 19
  73 6.1 61
  74 0.12 1
  75 40.3 403
  76 2.2 22
  77 15.1 151
  78 0.13 1
  79 2.3 23
  83 40.3 403
  84 1.4 14
  85 3.01 30
  86 1.3 13
  87 34.4 344
  88 9.7 97
  89 2.26 23
  90 4.2 42
  91 4.8 48
  92 0.4 4
  93 0.06 1
  95 1.1 11
  96 12.9 129
  97 22 220
  98 0.86 9
  99 14 140
  100 1.5 15
  101 2.1 21
  109 99.99 999
  110 5.4 54
  111 64.5 645
  112 2.9 29
  113 1.07 11
  114 0.5 5
  121 2.1 21
  122 16.1 161
  123 7.97 80
  124 18.3 183
  125 50.6 506
  126 7.5 75
  127 0.91 9
  128 1 10
  143 1.3 13
  144 0.3 3
  145 0.25 3
  146 0.3 3
  147 1.7 17
  148 0.1 1
  149 0.04 0
  157 3.2 32
  158 28 280
  159 3.2 32
  160 0.26 3
  161 2.1 21
  162 7.8 78
  163 0.4 4
  164 0.08 1
  192 0.5 5
  194 0.6 6
  196 0.2 2
  198 0.1 1
//