ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002736
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXY-OCTADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-TRIMETHYLSILOXY-OCTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₆O₃Si
CH$EXACT_MASS: 386.32162
CH$SMILES: CCCCCCCCCCCCCCCCC(C(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C22H46O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(23)24-2)25-26(3,4)5/h21H,6-20H2,1-5H3
CH$LINK: INCHIKEY MPVPFICBAYSSLQ-UHFFFAOYSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 23 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-1009000000-e53cb4f2bf353c42106f
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  55 1.1 11
  57 2.1 21
  67 0.6 6
  69 0.37 4
  70 0.7 7
  71 2.5 25
  73 5.5 55
  74 0.09 1
  75 1.9 19
  81 0.7 7
  82 0.6 6
  83 0.53 5
  84 0.9 9
  85 2.1 21
  89 3.3 33
  90 0.06 1
  91 1.9 19
  95 0.8 8
  96 0.8 8
  97 0.54 5
  98 1 10
  99 0.8 8
  103 6.6 66
  104 0.08 1
  105 0.9 9
  107 0.2 2
  109 0.3 3
  111 0.3 3
  116 0.7 7
  119 1.1 11
  125 1.2 12
  129 0.08 1
  159 0.6 6
  162 1.4 14
  185 0.7 7
  253 0.06 1
  311 0.5 5
  325 0.8 8
  326 3 30
  327 99.99 999
  328 27.6 276
  329 6.9 69
  330 1.4 14
  343 0.31 3
  344 1.3 13
  369 0.6 6
  370 2.1 21
  371 3.18 32
  372 9.2 92
  373 2.8 28
  374 0.6 6
  386 1.2 12
//