MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000955
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000955
RECORD_TITLE: HEXACHLOROETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: HEXACHLOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2Cl6
CH$EXACT_MASS: 233.81312
CH$SMILES: ClC(Cl)(Cl)C(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8
CH$LINK: CAS
67-72-1
CH$LINK: INCHIKEY
VHHHONWQHHHLTI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7020689
AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014j-4920000000-137222e716f44e0cd526
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
47 30.4 304
49 9.9 99
59 14 140
61 0.44 4
82 21.7 217
83 8.2 82
84 13.7 137
94 3.05 31
96 17.9 179
98 3 30
117 99.99 999
119 8.3 83
121 28.6 286
123 3.1 31
129 10.1 101
131 0.94 9
133 3.1 31
164 23.1 231
166 32.3 323
168 1.57 16
170 3.1 31
199 34.7 347
201 57.8 578
203 3.75 38
205 11.6 116
//