MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004843
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004843
RECORD_TITLE: METHYL (1S*,2S*,4R*)-8-(1-CHLORO-2-CYANOMETHYL-1,3,3-TRIMETHYLCYCLOHEXAN-4-YL)-2,6-DIMETHYLOCTA-2(E),6(E)-DIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL (1S*,2S*,4R*)-8-(1-CHLORO-2-CYANOMETHYL-1,3,3-TRIMETHYLCYCLOHEXAN-4-YL)-2,6-DIMETHYLOCTA-2(E),6(E)-DIENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H34ClNO2
CH$EXACT_MASS: 379.22781
CH$SMILES: N/A
CH$IUPAC: N/A
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03ec-0796000000-37777efc5ca56e2f48d6
PK$NUM_PEAK: 152
PK$PEAK: m/z int. rel.int.
69 3.5 35
81 5.4 54
82 4.5 45
83 0.27 3
88 3.8 38
93 2.7 27
94 4.3 43
95 0.59 6
96 2.8 28
97 2.4 24
107 4.7 47
108 0.88 9
109 4.5 45
110 1.8 18
111 2.5 25
114 6.61 66
115 4.7 47
120 4.1 41
121 21.6 216
122 0.72 7
123 9.8 98
124 11.4 114
125 2.9 29
127 0.21 2
132 2.5 25
133 3.4 34
134 7.1 71
135 1.07 11
136 4.7 47
138 11.7 117
139 1.8 18
145 0.28 3
146 4.3 43
147 3.7 37
148 7.5 75
149 7.12 71
150 7.5 75
151 4.2 42
152 1.8 18
158 0.18 2
159 4.1 41
160 12.3 123
161 20 200
162 0.89 9
163 7.7 77
164 2.7 27
166 2.3 23
167 0.88 9
168 14.2 142
169 3.1 31
171 2.7 27
172 0.23 2
173 2.3 23
174 16.5 165
175 13.3 133
176 1.05 11
177 5.2 52
178 2.4 24
179 7.9 79
180 1.75 18
181 8.8 88
182 4.1 41
183 2.3 23
186 0.22 2
187 4.9 49
188 4.1 41
189 4.3 43
190 0.36 4
191 2.3 23
198 4.7 47
199 1.8 18
200 0.25 3
201 1.8 18
202 3 30
203 3.5 35
204 0.23 2
207 3.7 37
208 3.4 34
212 2.5 25
213 0.26 3
214 18.6 186
215 12.4 124
216 26.1 261
217 0.9 9
218 1.8 18
219 1.8 18
223 2.5 25
227 0.29 3
228 5.5 55
229 7.5 75
230 99.99 999
231 2.28 23
232 3.5 35
234 2.2 22
235 1.9 19
236 1.02 10
237 2.5 25
240 3 30
241 3.3 33
242 0.36 4
243 3.1 31
249 3.8 38
250 2.1 21
253 0.5 5
254 5.1 51
255 11 110
256 40.4 404
257 0.8 8
258 2.1 21
260 5.2 52
266 3.1 31
267 0.23 2
268 12.6 126
269 3.4 34
271 7.1 71
272 0.31 3
273 2.6 26
274 7 70
275 2.1 21
282 0.65 7
283 11.4 114
284 9.4 94
285 4.7 47
287 0.27 3
292 2.3 23
293 2.1 21
294 3.3 33
296 2.07 21
297 2.6 26
300 8.3 83
301 2.5 25
303 0.64 6
304 3.3 33
311 69.1 691
312 39.5 395
313 0.92 9
314 4.8 48
326 2.4 24
328 29.5 295
329 0.38 4
343 44 440
344 27.5 275
345 6.1 61
347 0.34 3
348 1.8 18
349 3.2 32
350 1.8 18
364 0.18 2
379 11.7 117
380 1.7 17
381 1.3 13
382 1 10
//
