ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002738
RECORD_TITLE: METHYL 2-TRIMETHYLSILOXY-DOCOSANOATE; 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$NAME: METHYL 2-TRIMETHYLSILOXY-DOCOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₅₄O₃Si
CH$EXACT_MASS: 442.38422
CH$SMILES: CCCCCCCCCCCCCCCCCCCCC(C(=O)OC)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C26H54O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(27)28-2)29-30(3,4)5/h25H,6-24H2,1-5H3
CH$LINK: INCHIKEY QSSVMTKWPPSPAQ-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$SPLASH: splash10-001i-3209200000-5fd14addda2a43671829
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  57 9.5 95
  69 6.4 64
  71 6.6 66
  73 3.9 39
  75 7.6 76
  83 3 30
  84 4.4 44
  85 0.59 6
  89 5.4 54
  91 5.2 52
  95 4.9 49
  96 0.54 5
  97 8.6 86
  98 4.4 44
  103 7.1 71
  107 0.44 4
  108 5.2 52
  109 4.1 41
  110 3.6 36
  111 0.57 6
  123 3.9 39
  125 4.1 41
  129 3.8 38
  135 0.44 4
  147 4.4 44
  149 4.4 44
  162 4.8 48
  207 0.18 2
  208 2.3 23
  209 0.5 5
  219 4.6 46
  221 0.38 4
  267 4.1 41
  281 0.2 2
  341 1.2 12
  342 0.42 4
  343 3.5 35
  354 4.2 42
  355 1.6 16
  356 0.16 2
  357 3.9 39
  381 3.7 37
  382 6.2 62
  383 99.99 999
  384 33.8 338
  385 10.5 105
  386 3.7 37
  399 0.67 7
  425 3.7 37
  426 4.7 47
  427 34.2 342
  428 1.15 12
  429 3.2 32
  430 0.9 9
  431 4.4 44
  442 4.9 49
//