ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007462
RECORD_TITLE: D-12-TRIMETHYLSILOXY-CIS-9-OCTADECENOICACID TRIMETHYLSILYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: D-12-TRIMETHYLSILOXY-CIS-9-OCTADECENOICACID TRIMETHYLSILYL ESTER
CH$NAME: D-12-TRIMETHYLSILOXYOLEIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₅₀O₃Si₂
CH$EXACT_MASS: 442.32985
CH$SMILES: CCCCCCC(CC=CCCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C24H50O3Si2/c1-8-9-10-17-20-23(26-28(2,3)4)21-18-15-13-11-12-14-16-19-22-24(25)27-29(5,6)7/h15,18,23H,8-14,16-17,19-22H2,1-7H3/b18-15-
CH$LINK: INCHIKEY LBRTWLSBAWJDOP-SDXDJHTJSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-8900000000-a530d57351ad4770c286
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  43 1.4 14
  45 2.2 22
  47 1.4 14
  55 2.44 24
  56 1.4 14
  67 4.4 44
  69 5.1 51
  71 0.14 1
  73 54 540
  74 5.1 51
  75 20 200
  76 0.14 1
  79 1.4 14
  81 5.1 51
  83 2.2 22
  91 0.14 1
  93 1.4 14
  95 3.7 37
  97 13.3 133
  103 1.7 17
  109 1.4 14
  117 2.9 29
  129 8.1 81
  147 0.51 5
  149 1.4 14
  187 99.99 999
  188 16.2 162
  189 0.29 3
  204 1.4 14
  217 3.7 37
  296 1.4 14
  328 2.29 23
  329 5.1 51
  330 1.4 14
  337 1.4 14
  357 0.22 2
  411 3.7 37
  427 2.9 29
//