MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002790
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002790
RECORD_TITLE: 1,1-BIS(4-CHLOROPHENYL)-2,2,2-TRICHLOROETHANE; 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$NAME: 1,1-BIS(4-CHLOROPHENYL)-2,2,2-TRICHLOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H9Cl5
CH$EXACT_MASS: 351.91469
CH$SMILES: Clc(c2)ccc(c2)C(c(c1)ccc(Cl)c1)C(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
CH$LINK: COMPTOX
DTXSID4020375
CH$LINK: INCHIKEY
YVGGHNCTFXOJCH-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:3036
AC$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$SPLASH: splash10-000i-4590000000-8e90af62825794d4ed32
PK$NUM_PEAK: 197
PK$PEAK: m/z int. rel.int.
35 3 30
36 15.5 155
37 1.5 15
38 0.63 6
39 4.2 42
40 0.2 2
41 0.7 7
42 0.01 0
43 0.3 3
44 0.3 3
47 0.8 8
49 0.07 1
50 10 100
51 10 100
52 0.8 8
53 0.01 0
55 0.5 5
56 0.2 2
57 0.3 3
60 0.03 0
61 1.7 17
62 3.5 35
63 6.7 67
64 0.07 1
65 0.5 5
67 0.2 2
68 0.5 5
69 0.08 1
70 0.3 3
71 0.1 1
72 0.1 1
73 0.29 3
74 7.1 71
75 15.9 159
76 3 30
77 0.24 2
78 0.2 2
79 0.1 1
80 0.2 2
81 0.16 2
82 6.2 62
83 0.3 3
84 0.7 7
85 0.02 0
86 2.1 21
87 5 50
88 9 90
89 0.19 2
90 0.1 1
91 0.1 1
92 0.7 7
93 0.13 1
94 0.3 3
96 0.1 1
97 0.9 9
98 0.21 2
99 5.5 55
100 2.7 27
101 3.3 33
102 0.09 1
104 0.3 3
105 4.1 41
106 3 30
107 0.08 1
108 0.2 2
109 0.9 9
110 1.5 15
111 0.27 3
112 0.8 8
113 1.5 15
114 0.9 9
115 0.09 1
117 0.5 5
119 0.6 6
120 0.1 1
121 0.02 0
122 0.9 9
123 4.1 41
124 2.4 24
125 0.18 2
126 1.3 13
127 0.4 4
128 0.2 2
132 0.01 0
133 0.3 3
134 0.5 5
135 2.1 21
136 0.59 6
137 2.3 23
138 2.7 27
139 1.7 17
140 0.03 0
141 0.6 6
142 0.1 1
146 0.5 5
147 0.04 0
148 0.7 7
149 2.3 23
150 2.9 29
151 0.21 2
152 0.8 8
153 0.1 1
158 0.1 1
159 0.06 1
160 1 10
161 0.8 8
162 0.9 9
163 0.58 6
164 5.8 58
165 40.4 404
166 6.7 67
167 0.06 1
169 0.1 1
170 1.5 15
171 2.1 21
172 0.16 2
173 2.3 23
174 2.7 27
175 4.1 41
176 1.59 16
177 4.7 47
178 1.8 18
179 0.3 3
180 0.01 0
183 0.1 1
184 0.8 8
185 0.4 4
186 0.11 1
187 0.2 2
188 0.1 1
195 0.1 1
196 0.02 0
197 0.6 6
198 0.7 7
199 14.1 141
200 1.01 10
201 7.9 79
202 3.8 38
203 1.2 12
204 0.01 0
205 0.1 1
206 1.7 17
207 0.4 4
208 0.16 2
209 0.3 3
210 3.4 34
211 2.8 28
212 2.39 24
213 4.3 43
214 7.4 74
215 1.3 13
233 0.09 1
234 0.7 7
235 99.99 999
236 15.1 151
237 6.59 66
238 10.3 103
239 11.9 119
240 1.9 19
241 0.01 0
244 0.3 3
245 0.3 3
246 16.3 163
247 0.89 9
248 12.7 127
249 5.8 58
250 3.1 31
251 0.14 1
252 0.2 2
262 0.1 1
264 0.1 1
280 0.08 1
281 2.4 24
282 10.7 107
283 3.9 39
284 1.01 10
285 2.3 23
286 3.4 34
287 0.9 9
288 0.05 1
289 0.1 1
316 2.7 27
317 1.6 16
318 0.37 4
319 1.8 18
320 1.9 19
321 1.1 11
322 0.07 1
323 0.4 4
324 0.1 1
352 1.2 12
353 0.01 0
354 1.5 15
355 0.3 3
356 0.9 9
357 0.01 0
358 0.5 5
//
system version 2.2.8-SNAPSHOT