MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008792
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008792
RECORD_TITLE: TETRACHLOROETHYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: TETRACHLOROETHYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2Cl4
CH$EXACT_MASS: 163.87541
CH$SMILES: ClC(Cl)=C(Cl)Cl
CH$IUPAC: InChI=1S/C2Cl4/c3-1(4)2(5)6
CH$LINK: INCHIKEY
CYTYCFOTNPOANT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021319
AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-02u0-4900000000-9854a27a57b089103a95
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
34 0.2 2
35 20.96 210
36 2.41 24
37 6.85 69
44 0.72 7
47 32.12 321
49 10.6 106
59 18.46 185
60 0.18 2
61 6.61 66
64 0.16 2
70 0.17 2
82 10.49 105
83 1.62 16
84 6.3 63
86 0.22 2
94 39.09 391
95 0.3 3
96 25.09 251
98 4.48 45
119 0.22 2
129 69.95 700
130 0.36 4
131 67.4 674
132 1.71 17
133 22.62 226
135 2.49 25
164 79.53 795
166 99.99 999
167 2.19 22
168 50.12 501
169 0.43 4
170 10.89 109
//