ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000951
RECORD_TITLE: 1,2,4-TRICHLOROBENZENE; 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$NAME: 1,2,4-TRICHLOROBENZENE
CH$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$LINK: CAS 120-82-1
CH$LINK: INCHIKEY PBKONEOXTCPAFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021965

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$SPLASH: splash10-001i-2900000000-c9cb3f8f606230da9665
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  49 3.8 38
  50 6.2 62
  60 2.3 23
  61 0.23 2
  72 6.5 65
  73 11.4 114
  74 21.6 216
  75 1.28 13
  84 8.4 84
  85 3.8 38
  86 2.9 29
  90 0.42 4
  91 4.7 47
  108 3.4 34
  109 22.1 221
  110 0.52 5
  111 7.4 74
  144 3 30
  145 29 290
  146 0.36 4
  147 17.1 171
  149 2.8 28
  180 99.99 999
  181 0.63 6
  182 96.3 963
  183 6.1 61
  184 30.2 302
  185 0.21 2
  186 3 30
//