MassBank Record: JP006120



 1,1,1-TRICHLOROETHANE; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006120
RECORD_TITLE: 1,1,1-TRICHLOROETHANE; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, 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$LINK: INCHIKEY UOCLXMDMGBRAIB-UHFFFAOYSA-N
AC$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 //