ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004875
RECORD_TITLE: 2-(4-BROMOPHENYL)-2-OXOETHYL 9,10-BIS(TRIMETHYLSILOXY)OCTADEC-12(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$NAME: 2-(4-BROMOPHENYL)-2-OXOETHYL 9,10-BIS(TRIMETHYLSILOXY)OCTADEC-12(Z)-ENOATE
CH$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: 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$SPLASH: splash10-014i-0000093000-a0477b35695abcb03193
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  565 98.16 982
  566 25.74 257
  567 99.99 999
  568 25.68 257
  655 34.87 349
  656 7.8 78
  657 45.46 455
  658 8.52 85
//