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MassBank Record: JP006061

1,1,1-TRICHLOROETHANE; EI-B; MS

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

ACCESSION: JP006061
RECORD_TITLE: 1,1,1-TRICHLOROETHANE; EI-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$NAME: 1,1,1-TRICHLOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H3Cl3
CH$EXACT_MASS: 131.93003
CH$SMILES: CC(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
CH$LINK: INCHIKEY UOCLXMDMGBRAIB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021381

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9100000000-93c8b64bf9a3e2f74a6d
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  26 1.08 11
  27 5.5 55
  61 31.14 311
  62 2.84 28
  63 10.8 108
  96 1.1 11
  97 99.99 999
  98 2.81 28
  99 63.86 639
  100 1.52 15
  101 10.26 103
  117 10.84 108
  119 10.43 104
  121 3.27 33
  123 0.37 4
//

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