MassBank Record: JP003056



 1,1,3,3,4,4-HEXACHLOROBUT-1-ENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003056
RECORD_TITLE: 1,1,3,3,4,4-HEXACHLOROBUT-1-ENE; 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$NAME: 1,1,3,3,4,4-HEXACHLOROBUT-1-ENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H2Cl6 CH$EXACT_MASS: 259.82877 CH$SMILES: ClC(Cl)=CC(Cl)(Cl)C(Cl)Cl CH$IUPAC: InChI=1S/C4H2Cl6/c5-2(6)1-4(9,10)3(7)8/h1,3H
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: splash10-056r-3900000000-c4ad0598f8b6e8cdb648 PK$NUM_PEAK: 111 PK$PEAK: m/z int. rel.int. 24 1 10 25 3.4 34 26 2.2 22 27 0.17 2 35 9.6 96 36 23.8 238 37 15.3 153 38 1.02 10 39 1.3 13 47 12.2 122 48 6.6 66 49 2.71 27 50 34.1 341 51 3.5 35 55 4.4 44 56 0.08 1 57 3 30 58 0.7 7 59 1.7 17 60 1.93 19 61 14.7 147 62 6 60 63 1.3 13 67 0.18 2 68 1.3 13 69 3.9 39 70 0.8 8 71 0.03 0 72 6.1 61 73 8.3 83 74 2.9 29 75 0.32 3 76 0.5 5 77 11.7 117 78 11.7 117 79 0.41 4 81 2.7 27 82 3.6 36 83 13.7 137 84 0.34 3 85 32.2 322 86 12.2 122 87 9.1 91 94 0.41 4 95 12.2 122 96 9.6 96 97 8.1 81 107 1.22 12 108 1.2 12 109 8.1 81 110 0.8 8 111 0.02 0 112 0.7 7 117 10.7 107 118 2.7 27 119 5.77 58 120 15.2 152 121 33 330 122 8.5 85 123 0.06 1 124 1.5 15 125 1 10 130 5.3 53 132 0.49 5 134 1.7 17 143 9.5 95 145 8.3 83 147 0.25 3 153 3.4 34 154 4.9 49 155 88.2 882 156 0.92 9 157 83.2 832 158 4.7 47 159 26.5 265 160 0.13 1 161 2.9 29 172 4.4 44 174 2.9 29 176 0.04 0 177 79.7 797 178 2.4 24 179 99.99 999 180 0.31 3 181 49.2 492 182 1.5 15 183 10.7 107 184 0.03 0 185 0.8 8 189 13.8 138 190 37.3 373 191 1.86 19 192 47.5 475 193 10.2 102 194 23.4 234 195 0.25 3 196 4.6 46 225 20.3 203 226 1.2 12 227 3.39 34 228 1.3 13 229 20.9 209 230 1 10 231 0.71 7 232 0.3 3 233 1 10 260 2.4 24 262 0.39 4 264 3.4 34 266 1.3 13 268 0.3 3 //