MassBank Record: JP006124



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

ACCESSION: JP006124
RECORD_TITLE: 1,2,4-TRICHLOROBENZENE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,4-TRICHLOROBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H3Cl3 CH$EXACT_MASS: 179.93003 CH$SMILES: Clc(c1)cc(Cl)c(Cl)c1 CH$IUPAC: InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H CH$LINK: INCHIKEY PBKONEOXTCPAFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021965
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-001i-0900000000-303f7049526c67190043 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 74 18.55 186 75 10.77 108 79 1.43 14 108 2.67 27 109 18.54 185 110 4.05 41 111 5.52 55 112 1.32 13 144 2.29 23 145 13.44 134 146 2.16 22 147 8.19 82 148 1.03 10 149 2.03 20 180 99.99 999 181 11.26 113 182 92.14 921 183 11.23 112 184 29.92 299 185 3.91 39 186 3.23 32 //

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