MassBank Record: JP006120

Home Search Record Index

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

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

ACCESSION: JP006120
RECORD_TITLE: 1,1,1-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$NAME: 1,1,1-TRICHLOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H3Cl3
CH$EXACT_MASS: 131.93002999999998792191036045551300048828125
CH$SMILES: CC(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
CH$LINK: COMPTOX DTXSID0021381
CH$LINK: INCHIKEY UOCLXMDMGBRAIB-UHFFFAOYSA-N

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$SPLASH: splash10-0002-9100000000-756b9bd2a76d828e0d45
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  82 1.22 12
  96 1.74 17
  97 99.99 999
  98 4.31 43
  99 68.77 688
  100 2.4 24
  101 15.65 157
  117 9.24 92
  119 8.6 86
  121 2.74 27
  123 0.12 1
//