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
//