MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004878
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004878
RECORD_TITLE: METHYL 12,13-BIS(TRIMETHYLSILOXY)OCTADEC-9(Z)-ENOATE; 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$NAME: METHYL 12,13-BIS(TRIMETHYLSILOXY)OCTADEC-9(Z)-ENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H52O4Si2
CH$EXACT_MASS: 472.34041
CH$SMILES: CCCCCC(O[Si](C)(C)C)C(CC=CCCCCCCCC(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C25H52O4Si2/c1-9-10-17-20-23(28-30(3,4)5)24(29-31(6,7)8)21-18-15-13-11-12-14-16-19-22-25(26)27-2/h15,18,23-24H,9-14,16-17,19-22H2,1-8H3/b18-15-
CH$LINK: INCHIKEY
IYECOLONAGMZMJ-SDXDJHTJSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 35 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00fs-3981000000-54b97183c46e3387967d
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
55 4.37 44
67 7.2 72
69 3.35 34
73 65.35 654
74 2.44 24
75 8.42 84
79 3.44 34
81 7.03 70
83 8.58 86
89 1.76 18
91 2.16 22
93 4.64 46
95 9.49 95
97 3.2 32
98 1.63 16
99 2.05 21
103 15.35 154
107 2.13 21
109 2.76 28
113 1.78 18
117 5.72 57
121 2.15 22
123 4.2 42
125 2.02 20
129 34.92 349
130 7.4 74
131 2.28 23
133 4.18 42
134 2.02 20
135 2.42 24
136 1.91 19
137 1.74 17
143 2.81 28
146 2.65 27
147 22.49 225
148 3.74 37
149 4.25 43
150 2.13 21
155 6.62 66
157 3.61 36
159 5.29 53
161 1.89 19
171 1.79 18
172 9.42 94
173 99.99 999
174 14.28 143
175 4.98 50
177 3.46 35
178 3.2 32
185 21.72 217
186 5.86 59
187 3.61 36
191 2.77 28
195 3.81 38
199 2.4 24
210 3.46 35
212 2.18 22
213 10.16 102
214 2.44 24
217 1.68 17
225 3.46 35
227 1.59 16
243 2.05 21
247 2.76 28
259 14.67 147
260 3.72 37
261 2 20
267 1.81 18
270 34.09 341
271 17.15 172
272 4.2 42
273 2.09 21
275 86.2 862
276 19.85 199
277 9.69 97
278 1.68 17
285 1.66 17
293 2.39 24
298 7.1 71
299 82.78 828
300 18.52 185
301 5.33 53
311 7.53 75
312 2 20
315 5.01 50
345 3.39 34
351 1.94 19
361 7.25 73
362 1.79 18
363 1.85 19
382 3.44 34
383 2.2 22
401 3.42 34
441 5.27 53
442 2 20
457 2.79 28
458 1.63 16
//
system version 2.2.8-SNAPSHOT