MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006119
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
//