MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006060
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006060
RECORD_TITLE: 1,1,2-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$NAME: 1,1,2-TRICHLOROETHANE
CH$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: 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$SPLASH: splash10-0002-9000000000-acfcf70e606dda8c87e1
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 1.73 17
49 3.95 40
51 1.17 12
61 27.94 279
62 3.07 31
63 9.35 94
83 90.59 906
84 1.26 13
85 58.94 589
87 9.46 95
95 2.02 20
96 19.88 199
97 99.99 999
98 15.49 155
99 64.95 650
100 3.64 36
101 10.56 106
132 9.74 97
133 0.44 4
134 9.57 96
135 0.27 3
136 3.15 32
138 0.34 3
//