ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004873
RECORD_TITLE: 2-(4-BROMOPHENYL)-2-OXOETHYL 12,13-BIS(TRIMETHYLSILOXY)OCTADEC-9(Z)-ENOATE; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014i-0000192000-9b54d8562997f5594792
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  275 4.02 40
  452 2.15 22
  475 6.78 68
  477 6.22 62
  478 2.15 22
  483 2.11 21
  487 6.48 65
  488 3.02 30
  493 2.84 28
  495 2.89 29
  565 92.67 927
  566 35.56 356
  567 99.99 999
  568 35.89 359
  569 10.41 104
  583 3.73 37
  585 3.38 34
  655 27.93 279
  656 12.28 123
  657 31.36 314
  658 13.58 136
  659 5.26 53
//