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
//