ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004872
RECORD_TITLE: 2-(4-BROMOPHENYL)-2-OXOETHYL 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$NAME: 2-(4-BROMOPHENYL)-2-OXOETHYL 12,13-BIS(TRIMETHYLSILOXY)OCTADEC-9(Z)-ENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C32H55BrO5Si2
CH$EXACT_MASS: 654.27714
CH$SMILES: C(CC=CCC(O[Si](C)(C)C)C(O[Si](C)(C)C)CCCCC)CCCCCC(OCC(c(c1)ccc(c1)Br)=O)=O
CH$IUPAC: InChI=1S/C32H55BrO5Si2/c1-8-9-16-19-30(37-39(2,3)4)31(38-40(5,6)7)20-17-14-12-10-11-13-15-18-21-32(35)36-26-29(34)27-22-24-28(33)25-23-27/h14,17,22-25,30-31H,8-13,15-16,18-21,26H2,1-7H3/b17-14-
CH$LINK: INCHIKEY ODKHJHMVUMKCEY-VKAVYKQESA-N
AC$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: splash10-00di-7920100000-8aba0dfd4049b509f305
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  67 11.66 117
  69 5.65 57
  73 99.99 999
  74 10.91 109
  75 21.93 219
  76 4.89 49
  79 5.2 52
  81 11.07 111
  83 11.08 111
  91 4.89 49
  93 5.96 60
  95 10.73 107
  101 4.08 41
  103 17.29 173
  117 5.05 51
  129 14.92 149
  147 19.21 192
  149 5.27 53
  155 7.56 76
  157 4.17 42
  172 7.97 80
  173 76.61 766
  174 13.17 132
  175 4.48 45
  183 21.03 210
  185 21.73 217
  187 16.35 164
  191 8.44 84
  195 6.44 64
  267 9.71 97
  272 4.13 41
  275 44.13 441
  276 12.1 121
  277 5.91 59
  452 6.85 69
  454 7.12 71
  481 14.57 146
  482 5.37 54
  483 14.93 149
  484 4.64 46
  555 0.21 2
  564 0.28 3
  565 1.71 17
  566 0.83 8
  567 1.68 17
  568 0.68 7
  569 0.41 4
  571 0.21 2
  639 0.56 6
  640 0.24 2
  641 0.42 4
//
