MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006061
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
//