ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002743
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-9306000000-e3488054faf0a2fab62c
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  39 0.5 5
  40 4.6 46
  41 9.8 98
  42 1.3 13
  43 18.7 187
  44 1.9 19
  45 3.8 38
  47 0.28 3
  48 1.5 15
  53 1.6 16
  54 2 20
  55 1.09 11
  56 1.2 12
  57 12.5 125
  58 1.3 13
  59 0.78 8
  61 1.8 18
  66 1 10
  67 5.6 56
  68 0.27 3
  69 11.4 114
  70 2.3 23
  71 8.1 81
  72 0.17 2
  73 53.6 536
  74 6.4 64
  75 15.1 151
  76 0.17 2
  77 1.8 18
  79 1.8 18
  80 1.1 11
  81 0.61 6
  82 3.1 31
  83 14.7 147
  84 2.1 21
  85 0.6 6
  87 2.3 23
  88 1.2 12
  89 26.3 263
  90 0.29 3
  91 4.7 47
  92 0.9 9
  93 1.1 11
  95 0.59 6
  96 1.4 14
  97 12.7 127
  98 2.2 22
  99 0.17 2
  101 3.3 33
  102 1.2 12
  103 15.3 153
  104 0.2 2
  105 2.4 24
  107 2.2 22
  108 1.3 13
  109 0.32 3
  110 1.3 13
  111 5.3 53
  112 1.2 12
  113 0.14 1
  115 3.2 32
  116 2.6 26
  117 1.7 17
  119 0.29 3
  121 1 10
  123 1.6 16
  124 1.2 12
  125 0.2 2
  127 1.1 11
  129 10.9 109
  130 2.2 22
  131 0.22 2
  135 1 10
  137 1 10
  139 1.1 11
  143 0.17 2
  145 2.5 25
  146 2.8 28
  147 0.5 5
  149 0.1 1
  157 0.9 9
  159 7.8 78
  160 1.5 15
  161 0.16 2
  162 1.9 19
  171 0.9 9
  185 1.5 15
  199 0.1 1
  201 0.9 9
  253 1.3 13
  257 0.9 9
  271 0.09 1
  311 1.2 12
  325 1.4 14
  326 2.6 26
  327 99.99 999
  328 28 280
  329 7.2 72
  330 1.4 14
  343 0.46 5
  344 1.7 17
  369 1.5 15
  370 2.5 25
  371 3.74 37
  372 11.2 112
  373 3 30
  374 0.9 9
  386 1.6 16
//