MassBank Record: JP000973



 1,1,2,3,4,4-HEXACHLORO-1,3-BUTADIENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000973
RECORD_TITLE: 1,1,2,3,4,4-HEXACHLORO-1,3-BUTADIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 1,1,2,3,4,4-HEXACHLORO-1,3-BUTADIENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C4Cl6 CH$EXACT_MASS: 257.81312 CH$SMILES: ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl CH$IUPAC: InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10 CH$LINK: CAS 87-68-3
AC$INSTRUMENT: JEOL JMS-01-SG 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: splash10-004i-3790000000-0aab7381eb2bf932ea24 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 47 13.1 131 48 4 40 49 6.6 66 71 0.85 9 73 4 40 82 5.4 54 83 19.1 191 84 0.51 5 85 7.7 77 94 10.8 108 95 6.6 66 96 0.68 7 106 6.6 66 108 6 60 117 2.8 28 118 3.48 35 119 4.3 43 120 21.4 214 121 2.3 23 122 0.37 4 129 3.1 31 130 2.6 26 131 2.6 26 141 2.11 21 143 21.9 219 145 8.5 85 153 16.2 162 155 1.71 17 157 5.4 54 166 2.3 23 188 37.9 379 190 4.59 46 191 2.8 28 192 21.1 211 194 4.6 46 223 6.72 67 224 3.1 31 225 99.99 999 226 4.3 43 227 6.41 64 228 3.1 31 229 20.5 205 231 3.7 37 258 2.08 21 260 33.6 336 262 23.6 236 264 10.8 108 266 3.1 31 //