MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004907
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004907
RECORD_TITLE: TRICHLOROETHYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: TRICHLOROETHYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2HCl3
CH$EXACT_MASS: 129.91438
CH$SMILES: ClC=C(Cl)Cl
CH$IUPAC: InChI=1S/C2HCl3/c3-1-2(4)5/h1H
CH$LINK: CAS
79-01-6
CH$LINK: INCHIKEY
XSTXAVWGXDQKEL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021383
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-001j-9800000000-152d0336467c74545ec4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
47 5.49 55
48 1.85 19
49 1.93 19
59 3.38 34
60 27.98 280
61 1.95 20
62 8.98 90
65 2.44 24
66 2.79 28
82 1.34 13
83 1.06 11
94 6.56 66
95 99.99 999
96 6.38 64
97 66 660
98 2.08 21
99 10.38 104
130 98.82 988
131 2.64 26
132 98.06 981
133 2.23 22
134 32.18 322
136 3.38 34
//