ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004877
RECORD_TITLE: METHYL 9,10-BIS(TERT-BUTYLDIMETHYLSILOXY)OCTADEC-12(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$NAME: METHYL 9,10-BIS(TERT-BUTYLDIMETHYLSILOXY)OCTADEC-12(Z)-ENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₁H₆₄O₄Si₂
CH$EXACT_MASS: 556.43431
CH$SMILES: C(=CCC(C(CCCCCCCC(=O)OC)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)CCCCC
CH$IUPAC: InChI=1S/C31H64O4Si2/c1-13-14-15-16-18-21-24-27(34-36(9,10)30(2,3)4)28(35-37(11,12)31(5,6)7)25-22-19-17-20-23-26-29(32)33-8/h18,21,27-28H,13-17,19-20,22-26H2,1-12H3/b21-18-
CH$LINK: INCHIKEY ZPGBMOYBPDWVGR-UZYVYHOESA-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$SPLASH: splash10-05fs-9622000000-6a4094ce5583123457e5
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  54 2.34 23
  55 19.9 199
  56 2.34 23
  57 5.46 55
  59 11.39 114
  67 18.66 187
  68 2.12 21
  69 16.19 162
  71 1.75 18
  73 99.99 999
  74 11.32 113
  75 28.57 286
  76 1.97 20
  77 2.04 20
  79 4.07 41
  81 14.69 147
  82 1.83 18
  83 4.81 48
  85 2.9 29
  89 16.65 167
  91 2.47 25
  93 3.76 38
  95 10.46 105
  97 2.68 27
  99 3.01 30
  101 4.13 41
  107 3.72 37
  109 10.41 104
  113 1.66 17
  115 10.57 106
  117 1.88 19
  119 2.02 20
  121 3.45 35
  123 5.53 55
  125 2.29 23
  129 1.68 17
  131 2.59 26
  133 12.43 124
  134 1.94 19
  135 2.28 23
  137 4.35 44
  139 1.63 16
  145 2.26 23
  147 54.63 546
  148 9.47 95
  149 11.63 116
  155 14.53 145
  156 1.7 17
  163 14.25 143
  164 2.4 24
  165 1.86 19
  171 4.16 42
  185 1.83 18
  189 19.1 191
  190 3.85 39
  191 2.15 22
  197 1.94 19
  205 1.62 16
  219 6.46 65
  243 6.71 67
  254 4.21 42
  255 33.52 335
  256 7.79 78
  257 2.55 26
  279 2.56 26
  293 9.18 92
  294 1.91 19
  301 45.15 452
  302 11.81 118
  303 3.33 33
  313 16.15 162
  314 3.93 39
  329 2.66 27
  375 3.13 31
  445 6.21 62
  446 2.37 24
  499 10.6 106
  500 4.21 42
  501 1.7 17
//