MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006120
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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: 131.93003
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: 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
//