ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002745
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-008c-9202000000-c4431e9ed7cd60887720
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  39 2.1 21
  40 24.1 241
  41 23.7 237
  42 9.3 93
  43 33 330
  44 9.6 96
  45 9 90
  47 0.61 6
  54 6.7 67
  55 20.4 204
  56 12.8 128
  57 2.52 25
  59 11.8 118
  67 9.6 96
  68 9.4 94
  69 1.28 13
  70 8 80
  71 18.4 184
  73 61.9 619
  74 1.3 13
  75 21 210
  77 8.3 83
  79 7.6 76
  81 0.93 9
  82 12.1 121
  83 13.1 131
  84 7.8 78
  85 0.35 4
  89 29.2 292
  91 10.9 109
  95 14.9 149
  96 0.23 2
  97 20.1 201
  98 8.6 86
  103 18.5 185
  105 0.79 8
  107 7.8 78
  109 10.6 106
  111 11.3 113
  115 0.67 7
  119 6.7 67
  123 7.2 72
  129 14.2 142
  131 0.62 6
  147 1.7 17
  149 6.6 66
  159 9.6 96
  191 0.09 1
  207 1 10
  267 2.1 21
  282 0.2 2
  327 0.67 7
  381 5.8 58
  382 7.2 72
  383 99.99 999
  384 3.26 33
  385 11.3 113
  399 6 60
  426 5.9 59
  427 3.89 39
  428 13.5 135
  429 3.9 39
//