MassBank Record: JP003050



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

ACCESSION: 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-
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 //