ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004852
RECORD_TITLE: 14-(2-(TERT-BUTYLDIMETHYLSILOXY)ETHYL)-6,10,14-TRIMETHYLCYCLOTETRADECA-2(E),6(E),10(E)-TRIENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 14-(2-(TERT-BUTYLDIMETHYLSILOXY)ETHYL)-6,10,14-TRIMETHYLCYCLOTETRADECA-2(E),6(E),10(E)-TRIENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H44O2Si
CH$EXACT_MASS: 404.31106
CH$SMILES: [H]C(C1)=C(C)CCC([H])=C([H])C(=O)C(C)(CCC([H])=C(C)C1)CCO[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C25H44O2Si/c1-21-13-9-10-17-23(26)25(6,18-12-16-22(2)15-11-14-21)19-20-27-28(7,8)24(3,4)5/h10,14,16-17H,9,11-13,15,18-20H2,1-8H3/b17-10+,21-14+,22-16+
CH$LINK: INCHIKEY PKQHKSAHGDFLDE-SBCXIMPHSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-2920000000-755ba71625603ff9f129
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  28 3.6 36
  32 2.5 25
  43 2.7 27
  55 0.46 5
  56 1.1 11
  57 2.2 22
  67 4.3 43
  68 0.43 4
  69 5 50
  70 1.2 12
  71 1.3 13
  73 0.84 8
  75 20.7 207
  76 1.2 12
  79 4.2 42
  81 2.67 27
  82 1.8 18
  83 3.1 31
  85 1.4 14
  89 0.73 7
  91 1.6 16
  92 1.3 13
  93 21.2 212
  94 0.37 4
  95 18.1 181
  96 2.8 28
  97 1.6 16
  99 0.12 1
  100 2.2 22
  103 1.5 15
  105 14.4 144
  106 0.34 3
  107 13.2 132
  108 3.7 37
  109 11.1 111
  110 0.46 5
  111 3.9 39
  115 3.5 35
  119 12.8 128
  120 0.15 2
  121 13.7 137
  122 6.3 63
  123 10.6 106
  124 0.6 6
  125 2.3 23
  129 2.1 21
  131 6.6 66
  132 0.33 3
  133 11.8 118
  134 2.4 24
  135 6.8 68
  136 0.49 5
  137 5.3 53
  143 5.2 52
  144 1.1 11
  145 1.54 15
  146 3.2 32
  147 11.1 111
  148 6.7 67
  149 99.99 999
  150 13.2 132
  151 2.9 29
  152 1.5 15
  153 0.12 1
  155 1.2 12
  157 4.2 42
  158 2 20
  159 1.51 15
  160 2.7 27
  161 6.7 67
  162 2.7 27
  163 0.96 10
  164 2.5 25
  165 1.3 13
  167 1.8 18
  169 0.15 2
  171 9 90
  172 1.9 19
  173 7.2 72
  174 0.74 7
  175 12.6 126
  176 3.4 34
  177 12.4 124
  178 0.89 9
  179 2.3 23
  181 1.8 18
  183 2.9 29
  184 0.12 1
  185 6.1 61
  186 1.8 18
  187 6 60
  188 0.48 5
  189 6.3 63
  190 5.2 52
  191 7.1 71
  192 0.13 1
  195 1.2 12
  197 13.6 136
  198 2.7 27
  199 0.67 7
  200 2.2 22
  201 4.1 41
  202 2.2 22
  204 0.58 6
  205 1.4 14
  209 1.4 14
  211 5 50
  212 0.13 1
  213 3.9 39
  214 2.2 22
  215 4.6 46
  216 0.13 1
  217 1.6 16
  223 1.4 14
  225 2.5 25
  226 0.14 1
  227 7.5 75
  228 2.3 23
  229 14.6 146
  230 0.32 3
  231 1.9 19
  237 7 70
  238 2.1 21
  239 0.15 2
  241 1.4 14
  243 2.1 21
  244 2.1 21
  245 0.12 1
  246 2.9 29
  251 6.8 68
  252 2.3 23
  253 0.14 1
  254 1.1 11
  255 4.1 41
  256 3.7 37
  257 0.4 4
  259 1.8 18
  272 13.6 136
  273 4.2 42
  348 0.98 10
  349 2.3 23
  404 9.9 99
  405 1.9 19
//
