MassBank Record: JP006119

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1,1,2-TRICHLOROETHANE; CI-B; MS

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

ACCESSION: JP006119
RECORD_TITLE: 1,1,2-TRICHLOROETHANE; 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$NAME: 1,1,2-TRICHLOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H3Cl3
CH$EXACT_MASS: 131.93003
CH$SMILES: ClCC(Cl)Cl
CH$IUPAC: InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
CH$LINK: INCHIKEY UBOXGVDOUJQMTN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021380

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$SPLASH: splash10-0002-9000000000-2f601a9742d0654f3989
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  74 1 10
  75 1.01 10
  83 83.47 835
  84 1.16 12
  85 49.73 497
  87 7.22 72
  95 3.04 30
  96 18.33 183
  97 99.99 999
  98 13.69 137
  99 61.82 618
  100 2.84 28
  101 9.72 97
  132 1.02 10
  134 0.97 10
//