MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002102
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002102
RECORD_TITLE: TRICHLOROETHYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$LINK: INCHIKEY
XSTXAVWGXDQKEL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021383
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-001j-9600000000-35bd416ad747042a0c53
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
24 1.71 17
25 8.75 88
35 5.14 51
36 1.52 15
37 1.84 18
47 8.24 82
48 2.47 25
49 2.92 29
59 5.64 56
60 37.16 372
61 2.92 29
62 11.94 119
65 1.52 15
66 1.46 15
82 1.4 14
83 1.2 12
84 1.14 11
94 7.99 80
95 99.99 999
96 7.48 75
97 64.36 644
98 2.28 23
99 10.15 102
130 87.44 874
131 2.41 24
132 83.7 837
133 1.9 19
134 26.63 266
136 3.04 30
//
system version 2.2.6-SNAPSHOT