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MassBank Record: JP003621

1,2,3-TRICHLOROBENZENE; EI-B; MS

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

ACCESSION: JP003621
RECORD_TITLE: 1,2,3-TRICHLOROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-TRICHLOROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H3Cl3
CH$EXACT_MASS: 179.93003
CH$SMILES: Clc(c1)c(Cl)c(Cl)cc1
CH$IUPAC: InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H
CH$LINK: INCHIKEY RELMFMZEBKVZJC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026193

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$SPLASH: splash10-001i-1900000000-744b718f7818aa4bd0be
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  49 2.2 22
  50 3 30
  54 2.8 28
  55 0.22 2
  72 6.5 65
  73 6.3 63
  74 12.3 123
  75 0.76 8
  84 7.4 74
  85 2.5 25
  86 2.3 23
  90 0.65 7
  91 6.1 61
  92 2.2 22
  108 2 20
  109 1.47 15
  110 3.2 32
  111 5 50
  144 2.6 26
  145 2.54 25
  146 3.3 33
  147 16.5 165
  149 2.5 25
  180 99.99 999
  181 8 80
  182 97.2 972
  183 7.5 75
  184 3.13 31
  185 2 20
  186 3 30
//

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