MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003050
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003050
RECORD_TITLE: 1,2,4,4-TETRACHLOROBUTADIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 1,2,4,4-TETRACHLOROBUTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H2Cl4
CH$EXACT_MASS: 189.89106
CH$SMILES: ClC=C(Cl)C=C(Cl)Cl
CH$IUPAC: InChI=1S/C4H2Cl4/c5-2-3(6)1-4(7)8/h1-2H/b3-2-
CH$LINK: INCHIKEY
XTSDMNIRVUOODR-IHWYPQMZSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-4900000000-d7bb548845d7afb43381
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
24 0.7 7
25 2.5 25
26 2.9 29
27 0.19 2
35 5.6 56
36 15.4 154
37 9.6 96
38 0.77 8
39 1.9 19
47 7.1 71
48 3.8 38
49 1.73 17
50 23.1 231
59 1.1 11
60 13.5 135
61 0.71 7
62 4.8 48
63 4 40
77 8.2 82
78 0.71 7
79 2.9 29
84 21.2 212
85 19.3 193
86 0.71 7
87 5.8 58
95 5.8 58
96 5.8 58
97 0.38 4
98 1.9 19
107 7.9 79
109 7.1 71
111 0.23 2
117 2.7 27
118 1.1 11
119 46.2 462
120 1.35 14
121 30.8 308
122 7.7 77
123 6.1 61
130 0.33 3
132 3.1 31
134 1.1 11
143 4.4 44
145 0.04 0
147 1.3 13
155 99.99 999
156 5.5 55
157 9.63 96
158 4.8 48
159 30.8 308
160 1.5 15
161 0.33 3
189 1.3 13
190 38.7 387
191 3.4 34
192 0.52 5
193 2.9 29
194 24.1 241
195 1.3 13
196 5 50
//