MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004876
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004876
RECORD_TITLE: METHYL 12,13-BIS(TERT-BUTYLDIMETHYLSILOXY)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$NAME: METHYL 12,13-BIS(TERT-BUTYLDIMETHYLSILOXY)OCTADEC-9(Z)-ENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C31H64O4Si2
CH$EXACT_MASS: 556.43431
CH$SMILES: CC(C)(C)[Si](OC(CCCCC)C(CC=CCCCCCCCC(=O)OC)O[Si](C(C)(C)C)(C)C)(C)C
CH$IUPAC: InChI=1S/C31H64O4Si2/c1-13-14-21-24-27(34-36(9,10)30(2,3)4)28(35-37(11,12)31(5,6)7)25-22-19-17-15-16-18-20-23-26-29(32)33-8/h19,22,27-28H,13-18,20-21,23-26H2,1-12H3/b22-19-
CH$LINK: INCHIKEY
KKKRJPLCPSSPNS-QOCHGBHMSA-N
AC$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: splash10-00dj-9711100000-bdd6e9bfaad0f36404fd
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
55 20.3 203
57 4.76 48
59 11.31 113
67 18.42 184
69 12.73 127
73 99.99 999
74 12.15 122
75 47.65 477
76 3.67 37
77 3.26 33
79 5.73 57
81 18.52 185
83 7.24 72
85 3.81 38
89 17.27 173
91 4.08 41
93 6.22 62
95 13.8 138
97 4.13 41
99 8.9 89
101 3.85 39
107 4.28 43
109 7.4 74
113 3.57 36
115 16.31 163
121 3.5 35
123 5.15 52
127 4.61 46
133 10.83 108
135 4.21 42
137 3.5 35
147 55.94 559
148 10.08 101
149 13.54 135
155 3.19 32
157 3.58 36
159 5.15 52
163 8.28 83
171 47.13 471
172 8.2 82
173 3.86 39
189 23.42 234
190 4.57 46
197 4.98 50
215 31.53 315
216 6.39 64
219 4.81 48
227 4.72 47
279 3.62 36
289 4.67 47
293 6.84 68
341 15.82 158
342 4.23 42
353 3.15 32
359 10.22 102
360 3.16 32
367 23.38 234
368 6.79 68
399 5.21 52
409 3.02 30
499 33.96 340
500 14.46 145
501 5.58 56
//
system version 2.2.8-SNAPSHOT