MassBank Record: JP006124

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1,2,4-TRICHLOROBENZENE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP006124
RECORD_TITLE: 1,2,4-TRICHLOROBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, 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
//