ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004874
RECORD_TITLE: 2-(4-BROMOPHENYL)-2-OXOETHYL 9,10-BIS(TRIMETHYLSILOXY)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$NAME: 2-(4-BROMOPHENYL)-2-OXOETHYL 9,10-BIS(TRIMETHYLSILOXY)OCTADEC-12(Z)-ENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₂H₅₅BrO₅Si₂
CH$EXACT_MASS: 654.27714
CH$SMILES: C(CCCCCCC(O[Si](C)(C)C)C(O[Si](C)(C)C)CC=CCCCCC)C(OCC(c(c1)ccc(c1)Br)=O)=O
CH$IUPAC: InChI=1S/C32H55BrO5Si2/c1-8-9-10-11-13-16-19-30(37-39(2,3)4)31(38-40(5,6)7)20-17-14-12-15-18-21-32(35)36-26-29(34)27-22-24-28(33)25-23-27/h13,16,22-25,30-31H,8-12,14-15,17-21,26H2,1-7H3/b16-13-
CH$LINK: INCHIKEY ZDQPQPNUBMCVOD-SSZFMOIBSA-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$SPLASH: splash10-00fu-7940520000-03a64d03c19f54368857
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  67 16.93 169
  69 8.67 87
  73 99.99 999
  74 9.84 98
  75 20.69 207
  76 4.94 49
  81 13.38 134
  93 4.11 41
  95 5.74 57
  101 5.8 58
  103 20.79 208
  109 13.39 134
  121 4.39 44
  123 6.18 62
  125 4.15 42
  129 36.65 367
  130 6.93 69
  131 4.1 41
  133 4.06 41
  137 4.35 44
  143 5.23 52
  147 23.73 237
  149 5.81 58
  155 26.1 261
  157 4.1 41
  167 5.22 52
  183 21.25 213
  185 20.44 204
  191 6.55 66
  212 11.78 118
  213 40.72 407
  214 8.6 86
  215 4.11 41
  227 14.03 140
  239 4.02 40
  243 11.31 113
  257 9.74 97
  272 4.23 42
  317 5.31 53
  441 33.59 336
  442 9.22 92
  443 33.59 336
  444 9.38 94
  453 17.05 171
  454 5.13 51
  455 18.89 189
  456 5.24 52
  514 0.57 6
  515 0.7 7
  516 0.75 8
  517 0.6 6
  543 14.44 144
  544 5.45 55
  545 16.55 166
  546 5.56 56
  547 2.12 21
  548 0.5 5
  564 0.57 6
  565 2.54 25
  566 1.39 14
  567 2.69 27
  568 0.95 10
  569 0.37 4
  637 0.5 5
  639 1.42 14
  640 0.64 6
  641 1.09 11
  642 0.47 5
//