MassBank Record: JP003051



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

ACCESSION: 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
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 //